A0A087XXT1_POEFO Loading...

FYVE, RhoGEF and PH domain containing 4a

AlphaFold DB , UniProt , Accession A0A087XXT1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 563 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
1D39.3Very low64.8Low204 Ų204133 Ų133100%1.09168%0.684SS**  088.20-59.1-25000111.4H3D1-H3 PolarHBondContact O-N 3.46Å
2G42.7Very low66.7Low73 Ų73126.8 Ų126.875%0.75365%0.648SS**  trans-85.189.3165.400000107.7H4G2-H4 VanDerWaalsContact C-N 3.34Å; G2-H4 PolarHBondContact O-N 3.3Å
3H42.8Very low68.6Low173 Ų173117.8 Ų117.880%0.80160%0.603SS**  trans-63101.3164.7-9328.7000107.3D1 E5D1-H3 PolarHBondContact O-N 3.46Å; H3-E5 PolarHBondContact O-N 2.91Å
4H44.6Very low70.3Confident182 Ų182115.6 Ų115.684%0.84359%0.587SS**  trans-6694.5155.8-81.9-70.6000105.9G2 E6G2-H4 VanDerWaalsContact C-N 3.34Å; G2-H4 PolarHBondContact O-N 3.3Å; H4-E6 PolarHBondContact O-N 2.73Å
5E53.4Low71.4Confident181 Ų181115.7 Ų115.785%0.84658%0.582SS**  trans-57112.8169.6-80.4-177.8156.900108H3 E7H3-E5 PolarHBondContact O-N 2.91Å; E5-E7 PolarHBondContact O-N 3.35Å
6E66.1Low72.2Confident183 Ų183109.8 Ų109.886%0.85555%0.552SS**PPolyproline II helixtrans-62.9120.3174.6-77.2-172.2158.100108.7H4 T8H4-E6 PolarHBondContact O-N 2.73Å; E6-T8 PolarHBondContact O-N 2.79Å
7E78.6Confident73.3Confident56 Ų56103.4 Ų103.426%0.26252%0.52SS..PPolyproline II helixtrans-55130.7179.9-175179.3-16600111.1E5 Q11 K12 K15E5-E7 PolarHBondContact O-N 3.35Å; E7-Q11 HydrophobicContact CG-CB 3.58Å; E7-K12 HydrophobicContact CB-CG 4.49Å; E7-K12 HydrophobicContact CG-CG 3.9Å; E7-K12 WeakPolarHBondContact O-CE 3.33Å; E7-K12 PolarHBondContact O-NZ 2.94Å; E7-K15 WeakPolarHBondContact OE1-CD 3.29Å; E7-K15 WeakPolarHBondContact OE1-CE 3.14Å; E7-K15 IonicContact OE1-NZ 2.85Å; E7-K15 PolarHBondContact OE1-NZ 3.27Å; E7-K15 IonicContact OE2-NZ 2.82Å; E7-K15 PolarHBondContact OE2-NZ 2.82Å
8T87.6Confident73.9Confident68 Ų6899.8 Ų99.842%0.41751%0.506SS..PPolyproline II helixtrans-69.4158.5-178.5740000111.2E6 E10 Q11 K12E6-T8 PolarHBondContact O-N 2.79Å; T8-E10 VanDerWaalsContact C-N 3.25Å; T8-E10 PolarHBondContact O-N 3.23Å; T8-Q11 PolarHBondContact O-N 3.35Å; T8-Q11 WeakPolarHBondContact OG1-CG 3.47Å; T8-Q11 PolarHBondContact OG1-N 2.96Å; T8-Q11 PolarHBondContact OG1-OE1 2.95Å; T8-K12 WeakPolarHBondContact O-CG 3.13Å; T8-K12 PolarHBondContact O-N 3.45Å
9N84.3Confident74.4Confident84 Ų84100.1 Ų100.145%0.44951%0.505SS..Hα-helixtrans-63-34.1176.4-75.6-17.4000112.1K12 L13N9-K12 PolarHBondContact O-N 2.91Å; N9-L13 WeakPolarHBondContact O-CB 3.42Å; N9-L13 WeakPolarHBondContact O-CG 3.27Å; N9-L13 PolarHBondContact O-N 3.46Å
10E86.1Confident74.9Confident155 Ų15595.3 Ų95.372%0.72448%0.481SS*.Hα-helixtrans-62.9-43.2174.9-67.2176.6-179.900112.1T8 K12 L13 F14T8-E10 VanDerWaalsContact C-N 3.25Å; T8-E10 PolarHBondContact O-N 3.23Å; E10-K12 VanDerWaalsContact C-N 3.35Å; E10-L13 PolarHBondContact O-N 3.06Å; E10-F14 WeakPolarHBondContact O-CB 3.39Å; E10-F14 PolarHBondContact O-N 2.72Å
11Q87.6Confident75.7Confident104 Ų10491.8 Ų91.849%0.48646%0.463SS..Hα-helixtrans-63-41.7174.8-73169-22.200111.4E7 T8 F14 K15E7-Q11 HydrophobicContact CG-CB 3.58Å; T8-Q11 PolarHBondContact O-N 3.35Å; T8-Q11 WeakPolarHBondContact OG1-CG 3.47Å; T8-Q11 PolarHBondContact OG1-N 2.96Å; T8-Q11 PolarHBondContact OG1-OE1 2.95Å; Q11-F14 PolarHBondContact O-N 2.88Å; Q11-K15 WeakPolarHBondContact O-CG 3.25Å; Q11-K15 PolarHBondContact O-N 3.31Å
12K87Confident77.7Confident58 Ų5888.6 Ų88.625%0.25244%0.442SS..Hα-helixtrans-63.2-43.4175.4-69168.5-172153.10112E7 T8 N9 E10 K15 I16 K171E7-K12 HydrophobicContact CB-CG 4.49Å; E7-K12 HydrophobicContact CG-CG 3.9Å; E7-K12 WeakPolarHBondContact O-CE 3.33Å; E7-K12 PolarHBondContact O-NZ 2.94Å; T8-K12 WeakPolarHBondContact O-CG 3.13Å; T8-K12 PolarHBondContact O-N 3.45Å; N9-K12 PolarHBondContact O-N 2.91Å; E10-K12 VanDerWaalsContact C-N 3.35Å; K12-K15 PolarHBondContact O-N 3.39Å; K12-I16 VanDerWaalsContact O-CG1 3.32Å; K12-I16 WeakPolarHBondContact O-CG1 3.48Å; K12-I16 PolarHBondContact O-N 2.81Å; K12-K171 HydrophobicContact CB-CG 4.34Å; K12-K171 HydrophobicContact CD-CD 4.17Å
13L91.3Very high79.4Confident11 Ų1187.1 Ų87.16%0.05842%0.418CS..Hα-helixtrans-63.1-43.5177.2-70.4166.7000111.2N9 E10 K15 I16 A17 Y168 K171 L172N9-L13 WeakPolarHBondContact O-CB 3.42Å; N9-L13 WeakPolarHBondContact O-CG 3.27Å; N9-L13 PolarHBondContact O-N 3.46Å; E10-L13 PolarHBondContact O-N 3.06Å; L13-K15 PolarHBondContact O-N 3.18Å; L13-I16 PolarHBondContact O-N 3.29Å; L13-A17 WeakPolarHBondContact O-CB 3.38Å; L13-A17 PolarHBondContact O-N 3.37Å; L13-Y168 HydrophobicContact CB-CE2 4.24Å; L13-Y168 HydrophobicContact CD2-CD2 3.46Å; L13-Y168 VanDerWaalsContact CD2-CD2 3.46Å; L13-Y168 HydrophobicContact CD2-CE2 3.32Å; L13-Y168 HydrophobicContact CD2-CG 4.27Å; L13-Y168 HydrophobicContact CG-CE2 4.33Å; L13-K171 HydrophobicContact CD2-CB 3.75Å; L13-K171 HydrophobicContact CG-CB 4.12Å; L13-L172 HydrophobicContact CD1-CD2 4.45Å; L13-L172 HydrophobicContact CD2-CD2 4.38Å; L13-L172 HydrophobicContact CD2-CG 4.03Å
14F92.4Very high81.7Confident86 Ų8678.9 Ų78.938%0.37738%0.38SS..Hα-helixtrans-61.3-41.3174.8179.1-100.8000112.3E10 Q11 A17 S18 M82 W85E10-F14 WeakPolarHBondContact O-CB 3.39Å; E10-F14 PolarHBondContact O-N 2.72Å; Q11-F14 PolarHBondContact O-N 2.88Å; F14-A17 PolarHBondContact O-N 3.38Å; F14-S18 WeakPolarHBondContact CE1-OG 3.41Å; F14-S18 VanDerWaalsContact O-CB 3.3Å; F14-S18 WeakPolarHBondContact O-CB 3.2Å; F14-S18 PolarHBondContact O-N 3.23Å; F14-S18 PolarHBondContact O-OG 3.27Å; F14-M82 HydrophobicContact CD2-CE 3.79Å; F14-M82 HydrophobicContact CE2-CE 3.4Å; F14-M82 HydrophobicContact CZ-CE 3.95Å; F14-W85 HydrophobicContact CD2-CB 4.26Å; F14-W85 AromaticContact CD2-CD1 3.39Å; F14-W85 AromaticContact CD2-CD2 3.87Å; F14-W85 HydrophobicContact CD2-CD2 3.87Å; F14-W85 AromaticContact CD2-CE2 3.88Å; F14-W85 AromaticContact CD2-CG 3.56Å; F14-W85 HydrophobicContact CD2-CG 3.56Å; F14-W85 AromaticContact CD2-NE1 3.56Å; F14-W85 HydrophobicContact CE2-CB 4.14Å; F14-W85 HydrophobicContact CE2-CD2 4.5Å; F14-W85 AromaticContact CE2-CG 3.94Å; F14-W85 HydrophobicContact CE2-CG 3.94Å
15K87.3Confident83.9Confident118 Ų11874.4 Ų74.451%0.51336%0.358SS..Hα-helixtrans-63-44.2175.7-76.6-173.5-175.2164.60112.2E7 Q11 K12 L13 A17 S18 E19E7-K15 WeakPolarHBondContact OE1-CD 3.29Å; E7-K15 WeakPolarHBondContact OE1-CE 3.14Å; E7-K15 IonicContact OE1-NZ 2.85Å; E7-K15 PolarHBondContact OE1-NZ 3.27Å; E7-K15 IonicContact OE2-NZ 2.82Å; E7-K15 PolarHBondContact OE2-NZ 2.82Å; Q11-K15 WeakPolarHBondContact O-CG 3.25Å; Q11-K15 PolarHBondContact O-N 3.31Å; K12-K15 PolarHBondContact O-N 3.39Å; L13-K15 PolarHBondContact O-N 3.18Å; K15-A17 PolarHBondContact O-N 2.9Å; K15-S18 WeakPolarHBondContact O-CB 3.37Å; K15-S18 PolarHBondContact O-N 3.38Å; K15-E19 WeakPolarHBondContact O-CB 3.29Å; K15-E19 PolarHBondContact O-N 3.18Å
16I84.8Confident85.2Confident21 Ų2168.4 Ų68.411%0.10834%0.339CS..Hα-helixtrans-61.6-45176.6-66.5165.3000110.6K12 L13 S18 E19 L20 D167 Y168 K171K12-I16 VanDerWaalsContact O-CG1 3.32Å; K12-I16 WeakPolarHBondContact O-CG1 3.48Å; K12-I16 PolarHBondContact O-N 2.81Å; L13-I16 PolarHBondContact O-N 3.29Å; I16-S18 VanDerWaalsContact C-N 3.35Å; I16-S18 PolarHBondContact O-N 3.1Å; I16-E19 PolarHBondContact O-N 3.49Å; I16-L20 WeakPolarHBondContact O-CB 3.45Å; I16-L20 PolarHBondContact O-N 3.05Å; I16-D167 HydrophobicContact CD1-CB 4.5Å; I16-Y168 HydrophobicContact CG2-CD2 4.17Å; I16-K171 HydrophobicContact CD1-CG 4.01Å
17A90.7Very high86.4Confident0 Ų060 Ų600%030%0.3CS..Hα-helixtrans-65.8-37177.200000112.6L13 F14 K15 L20 L21 M82 W85 I91L13-A17 WeakPolarHBondContact O-CB 3.38Å; L13-A17 PolarHBondContact O-N 3.37Å; F14-A17 PolarHBondContact O-N 3.38Å; K15-A17 PolarHBondContact O-N 2.9Å; A17-L20 WeakPolarHBondContact O-CB 3.36Å; A17-L20 PolarHBondContact O-N 3.39Å; A17-L21 PolarHBondContact O-N 3.16Å; A17-M82 HydrophobicContact CB-CE 4.34Å; A17-M82 HydrophobicContact CB-SD 3.63Å; A17-W85 HydrophobicContact CB-CE3 4.31Å; A17-W85 HydrophobicContact CB-CH2 3.37Å; A17-W85 HydrophobicContact CB-CZ2 4.12Å; A17-W85 HydrophobicContact CB-CZ3 3.49Å; A17-W85 VanDerWaalsContact CB-CZ3 3.49Å; A17-I91 HydrophobicContact CB-CD1 4.46Å; A17-I91 HydrophobicContact CB-CG2 3.89Å
18S84.5Confident87.2Confident39 Ų3958.1 Ų58.127%0.27329%0.292SS..Hα-helixtrans-65.2-41.9174.1-61.10000112.1F14 K15 I16 L21 H22 M82F14-S18 WeakPolarHBondContact CE1-OG 3.41Å; F14-S18 VanDerWaalsContact O-CB 3.3Å; F14-S18 WeakPolarHBondContact O-CB 3.2Å; F14-S18 PolarHBondContact O-N 3.23Å; F14-S18 PolarHBondContact O-OG 3.27Å; K15-S18 WeakPolarHBondContact O-CB 3.37Å; K15-S18 PolarHBondContact O-N 3.38Å; I16-S18 VanDerWaalsContact C-N 3.35Å; I16-S18 PolarHBondContact O-N 3.1Å; S18-L21 PolarHBondContact O-N 2.96Å; S18-H22 WeakPolarHBondContact O-CB 3.49Å; S18-H22 PolarHBondContact O-N 2.66Å; S18-M82 WeakPolarHBondContact OG-CE 3.34Å
19E82.7Confident87.4Confident106 Ų10657.5 Ų57.550%0.49529%0.294SS..Hα-helixtrans-63.8-43.7174.9-176.1-178.3164.300111.2K15 I16 L21 H22 T23 L164K15-E19 WeakPolarHBondContact O-CB 3.29Å; K15-E19 PolarHBondContact O-N 3.18Å; I16-E19 PolarHBondContact O-N 3.49Å; E19-L21 PolarHBondContact O-N 3.45Å; E19-H22 PolarHBondContact O-N 2.7Å; E19-T23 HydrophobicContact CG-CG2 4.29Å; E19-T23 WeakPolarHBondContact O-CB 3.27Å; E19-T23 VanDerWaalsContact O-CG2 3.31Å; E19-T23 WeakPolarHBondContact O-CG2 3.48Å; E19-T23 PolarHBondContact O-N 3.08Å; E19-T23 PolarHBondContact O-OG1 3.39Å; E19-L164 HydrophobicContact CG-CD2 4.38Å
20L84.8Confident87.6Confident4 Ų457.4 Ų57.42%0.02129%0.287CS..Hα-helixtrans-55.7-51.3173.7174.163000110.7I16 A17 T23 E24 L78 I91 L95 Y161 L164I16-L20 WeakPolarHBondContact O-CB 3.45Å; I16-L20 PolarHBondContact O-N 3.05Å; A17-L20 WeakPolarHBondContact O-CB 3.36Å; A17-L20 PolarHBondContact O-N 3.39Å; L20-T23 PolarHBondContact O-OG1 3.38Å; L20-E24 WeakPolarHBondContact O-CB 3.11Å; L20-E24 PolarHBondContact O-N 3.31Å; L20-L78 HydrophobicContact CD2-CD1 4.39Å; L20-L78 HydrophobicContact CD2-CD2 3.83Å; L20-L78 HydrophobicContact CG-CD1 4.16Å; L20-L78 HydrophobicContact CG-CD2 4.36Å; L20-I91 HydrophobicContact CD2-CD1 3.88Å; L20-L95 HydrophobicContact CD2-CD1 4.37Å; L20-L95 HydrophobicContact CD2-CD2 4.03Å; L20-Y161 HydrophobicContact CD1-CD1 3.87Å; L20-Y161 HydrophobicContact CD1-CE1 3.72Å; L20-L164 HydrophobicContact CD1-CD1 4.08Å
21L91.4Very high88Confident21 Ų2150 Ų5011%0.1125%0.253CS..Hα-helixtrans-61.2-47.6178.5173.961.6000112.1A17 S18 E19 T23 E24 K25 L75 L78 E79 M82A17-L21 PolarHBondContact O-N 3.16Å; S18-L21 PolarHBondContact O-N 2.96Å; E19-L21 PolarHBondContact O-N 3.45Å; L21-T23 PolarHBondContact O-N 3.24Å; L21-E24 WeakPolarHBondContact O-CB 3.33Å; L21-E24 PolarHBondContact O-N 3.18Å; L21-K25 HydrophobicContact CD1-CD 4.49Å; L21-K25 HydrophobicContact CD1-CG 4.31Å; L21-K25 WeakPolarHBondContact O-CG 3.37Å; L21-K25 PolarHBondContact O-N 3.04Å; L21-L75 HydrophobicContact CD1-CD1 3.7Å; L21-L78 HydrophobicContact CD1-CB 3.86Å; L21-E79 HydrophobicContact CD1-CG 3.65Å; L21-M82 HydrophobicContact CB-CG 4.09Å; L21-M82 HydrophobicContact CD2-CB 3.68Å; L21-M82 HydrophobicContact CD2-CG 3.54Å; L21-M82 HydrophobicContact CG-CG 4.37Å
22H81.4Confident88.4Confident138 Ų13848.4 Ų48.464%0.63925%0.248SC*.Hα-helixtrans-62.3-47.3-176.9-177.276.1000111.5S18 E19 E24 K25 A26S18-H22 WeakPolarHBondContact O-CB 3.49Å; S18-H22 PolarHBondContact O-N 2.66Å; E19-H22 PolarHBondContact O-N 2.7Å; H22-E24 VanDerWaalsContact C-N 3.28Å; H22-E24 PolarHBondContact O-N 2.87Å; H22-K25 PolarHBondContact O-N 2.85Å; H22-A26 PolarHBondContact O-N 3.23Å
23T79.3Confident88.8Confident42 Ų4245.9 Ų45.926%0.25824%0.237SC..Hα-helixtrans-70-27.3177.764.40000112.1E19 L20 L21 Y27 R157E19-T23 HydrophobicContact CG-CG2 4.29Å; E19-T23 WeakPolarHBondContact O-CB 3.27Å; E19-T23 VanDerWaalsContact O-CG2 3.31Å; E19-T23 WeakPolarHBondContact O-CG2 3.48Å; E19-T23 PolarHBondContact O-N 3.08Å; E19-T23 PolarHBondContact O-OG1 3.39Å; L20-T23 PolarHBondContact O-OG1 3.38Å; L21-T23 PolarHBondContact O-N 3.24Å; T23-Y27 WeakPolarHBondContact O-CB 3.32Å; T23-Y27 PolarHBondContact O-N 3.36Å; T23-R157 PolarHBondContact OG1-NH1 3.1Å; T23-R157 PolarHBondContact OG1-NH2 3.19Å
24E91.1Very high89Confident0 Ų045.4 Ų45.40%024%0.235CC..Hα-helixtrans-67-44.1172.8-170.963.8-148.200111.9L20 L21 H22 A26 Y27 V28 H70 L74 L75 L78 R157 Y161L20-E24 WeakPolarHBondContact O-CB 3.11Å; L20-E24 PolarHBondContact O-N 3.31Å; L21-E24 WeakPolarHBondContact O-CB 3.33Å; L21-E24 PolarHBondContact O-N 3.18Å; H22-E24 VanDerWaalsContact C-N 3.28Å; H22-E24 PolarHBondContact O-N 2.87Å; E24-A26 VanDerWaalsContact C-N 3.31Å; E24-A26 PolarHBondContact O-N 2.83Å; E24-Y27 PolarHBondContact O-N 3.21Å; E24-Y27 VanDerWaalsContact O-N 3.13Å; E24-V28 HydrophobicContact CG-CG2 4.47Å; E24-V28 WeakPolarHBondContact O-CG2 3.17Å; E24-V28 PolarHBondContact O-N 3.28Å; E24-H70 IonicContact OE1-CE1 3.63Å; E24-H70 IonicContact OE1-CG 2.72Å; E24-H70 IonicContact OE1-ND1 3.26Å; E24-H70 PolarHBondContact OE1-ND1 3.17Å; E24-L74 HydrophobicContact CG-CD2 4.45Å; E24-L75 HydrophobicContact CG-CB 4.28Å; E24-L75 HydrophobicContact CG-CD1 4.25Å; E24-L78 HydrophobicContact CB-CD1 4.14Å; E24-L78 HydrophobicContact CG-CD1 3.94Å; E24-R157 VanDerWaalsContact CA-NH2 3.27Å; E24-R157 IonicContact OE2-CZ 2.65Å; E24-R157 IonicContact OE2-NE 3.76Å; E24-R157 PolarHBondContact OE2-NE 3.15Å; E24-R157 IonicContact OE2-NH2 3.82Å; E24-R157 PolarHBondContact OE2-NH2 3.23Å; E24-Y161 PolarHBondContact OE1-OH 3.13Å; E24-Y161 PolarHBondContact OE2-OH 2.96Å
25K89.2Confident89.3Confident88 Ų8841.7 Ų41.738%0.38322%0.219SC..Hα-helixtrans-57.1-46.7174.7-72.6-179.5-174.3-1450111.6L21 H22 Y27 V28 A29 L75 E79L21-K25 HydrophobicContact CD1-CD 4.49Å; L21-K25 HydrophobicContact CD1-CG 4.31Å; L21-K25 WeakPolarHBondContact O-CG 3.37Å; L21-K25 PolarHBondContact O-N 3.04Å; H22-K25 PolarHBondContact O-N 2.85Å; K25-Y27 VanDerWaalsContact C-N 3.32Å; K25-Y27 PolarHBondContact O-N 2.95Å; K25-V28 PolarHBondContact O-N 3.2Å; K25-A29 PolarHBondContact O-N 3.16Å; K25-L75 HydrophobicContact CG-CD1 3.5Å; K25-L75 VanDerWaalsContact CG-CD1 3.5Å; K25-L75 HydrophobicContact CG-CD2 4.4Å; K25-E79 WeakPolarHBondContact CE-OE1 3.27Å; K25-E79 IonicContact NZ-OE1 3.68Å; K25-E79 PolarHBondContact NZ-OE1 3.18Å
26A82.3Confident89.7Confident54 Ų5440.8 Ų40.845%0.44622%0.216SC..Hα-helixtrans-61.5-42.9176.400000111.3H22 E24 A29 R30H22-A26 PolarHBondContact O-N 3.23Å; E24-A26 VanDerWaalsContact C-N 3.31Å; E24-A26 PolarHBondContact O-N 2.83Å; A26-A29 WeakPolarHBondContact O-CB 3.42Å; A26-A29 PolarHBondContact O-N 2.92Å; A26-R30 WeakPolarHBondContact O-CG 3.11Å; A26-R30 PolarHBondContact O-N 3.08Å; A26-R30 VanDerWaalsContact O-N 3.15Å
27Y89.8Confident90.3Very high7 Ų741.5 Ų41.53%0.02722%0.221CC..Hα-helixtrans-65.6-44.1178.8179.3-123.5000112.8T23 E24 K25 A29 R30 L31 H70 Y105 E153 P154 R157T23-Y27 WeakPolarHBondContact O-CB 3.32Å; T23-Y27 PolarHBondContact O-N 3.36Å; E24-Y27 PolarHBondContact O-N 3.21Å; E24-Y27 VanDerWaalsContact O-N 3.13Å; K25-Y27 VanDerWaalsContact C-N 3.32Å; K25-Y27 PolarHBondContact O-N 2.95Å; Y27-A29 VanDerWaalsContact C-N 3.29Å; Y27-A29 PolarHBondContact O-N 3.25Å; Y27-R30 CarbonylContact O-C 3.57Å; Y27-R30 WeakPolarHBondContact O-CA 3.49Å; Y27-R30 WeakPolarHBondContact O-CB 3.47Å; Y27-R30 PolarHBondContact O-N 3.35Å; Y27-L31 HydrophobicContact CD1-CD1 3.9Å; Y27-L31 HydrophobicContact CD1-CG 4.44Å; Y27-L31 HydrophobicContact CD2-CG 4.33Å; Y27-L31 HydrophobicContact CE1-CD1 3.4Å; Y27-L31 HydrophobicContact CE1-CG 4.04Å; Y27-L31 HydrophobicContact CE2-CD1 4.19Å; Y27-L31 HydrophobicContact CE2-CD2 4.03Å; Y27-L31 HydrophobicContact CE2-CG 3.89Å; Y27-L31 HydrophobicContact CG-CD1 4.49Å; Y27-L31 PolarHBondContact O-N 3.35Å; Y27-H70 AromaticContact CE1-CE1 3.88Å; Y27-H70 AromaticContact CE1-CG 3.96Å; Y27-H70 AromaticContact CE1-ND1 3.83Å; Y27-Y105 WeakPolarHBondContact CE1-OH 3.48Å; Y27-Y105 PolarHBondContact OH-OH 2.85Å; Y27-E153 HydrophobicContact CD2-CB 4.39Å; Y27-E153 HydrophobicContact CE2-CB 4.2Å; Y27-P154 HydrophobicContact CE2-CG 4.43Å; Y27-P154 VanDerWaalsContact OH-CA 3.26Å; Y27-P154 WeakPolarHBondContact OH-CA 3.5Å; Y27-P154 WeakPolarHBondContact OH-CB 3.32Å; Y27-R157 HydrophobicContact CD1-CG 3.72Å; Y27-R157 HydrophobicContact CD2-CB 4.42Å; Y27-R157 HydrophobicContact CD2-CG 4.34Å; Y27-R157 HydrophobicContact CE1-CB 4.03Å; Y27-R157 HydrophobicContact CE1-CG 3.53Å; Y27-R157 HydrophobicContact CE2-CB 3.97Å; Y27-R157 HydrophobicContact CE2-CG 4.21Å; Y27-R157 HydrophobicContact CG-CG 4.12Å
28V95.4Very high90.6Very high16 Ų1641.5 Ų41.510%0.09722%0.221CC..Hα-helixtrans-59.7-40.2174.6169.30000111.2E24 K25 R30 L31 N32 H70 L75E24-V28 HydrophobicContact CG-CG2 4.47Å; E24-V28 WeakPolarHBondContact O-CG2 3.17Å; E24-V28 PolarHBondContact O-N 3.28Å; K25-V28 PolarHBondContact O-N 3.2Å; V28-R30 VanDerWaalsContact C-N 3.28Å; V28-R30 PolarHBondContact O-N 2.96Å; V28-L31 PolarHBondContact O-N 2.97Å; V28-N32 WeakPolarHBondContact O-CB 3.28Å; V28-N32 PolarHBondContact O-N 3.46Å; V28-H70 HydrophobicContact CG2-CB 3.83Å; V28-L75 HydrophobicContact CB-CD2 4.05Å; V28-L75 HydrophobicContact CG1-CD2 4.01Å; V28-L75 HydrophobicContact CG2-CB 4.07Å; V28-L75 HydrophobicContact CG2-CD2 3.98Å
29A92.3Very high91.2Very high56 Ų5640.2 Ų40.246%0.46321%0.212SC..Hα-helixtrans-61.5-36.6174.600000112.4K25 A26 Y27 L33K25-A29 PolarHBondContact O-N 3.16Å; A26-A29 WeakPolarHBondContact O-CB 3.42Å; A26-A29 PolarHBondContact O-N 2.92Å; Y27-A29 VanDerWaalsContact C-N 3.29Å; Y27-A29 PolarHBondContact O-N 3.25Å; A29-L33 PolarHBondContact O-N 2.72Å; A29-L33 VanDerWaalsContact O-N 3.08Å
30R88.3Confident91.9Very high81 Ų8137.4 Ų37.431%0.30620%0.202SC..Hα-helixtrans-71.9-39.7175-62.9-64.8168.3-151.9-2.6112.6A26 Y27 V28 N32 L33 L34 I141A26-R30 WeakPolarHBondContact O-CG 3.11Å; A26-R30 PolarHBondContact O-N 3.08Å; A26-R30 VanDerWaalsContact O-N 3.15Å; Y27-R30 CarbonylContact O-C 3.57Å; Y27-R30 WeakPolarHBondContact O-CA 3.49Å; Y27-R30 WeakPolarHBondContact O-CB 3.47Å; Y27-R30 PolarHBondContact O-N 3.35Å; V28-R30 VanDerWaalsContact C-N 3.28Å; V28-R30 PolarHBondContact O-N 2.96Å; R30-N32 VanDerWaalsContact C-N 3.31Å; R30-N32 PolarHBondContact O-N 3.1Å; R30-L33 WeakPolarHBondContact O-CB 3.5Å; R30-L33 PolarHBondContact O-N 3.37Å; R30-L34 PolarHBondContact O-N 2.88Å; R30-I141 PolarHBondContact NH1-O 2.82Å
31L94.3Very high92.4Very high0 Ų041.5 Ų41.50%022%0.218CC..Hα-helixtrans-61.8-40.4172.5-72.8177.3000111.7Y27 V28 L33 L34 D35 I63 I66 H67 H70 P154Y27-L31 HydrophobicContact CD1-CD1 3.9Å; Y27-L31 HydrophobicContact CD1-CG 4.44Å; Y27-L31 HydrophobicContact CD2-CG 4.33Å; Y27-L31 HydrophobicContact CE1-CD1 3.4Å; Y27-L31 HydrophobicContact CE1-CG 4.04Å; Y27-L31 HydrophobicContact CE2-CD1 4.19Å; Y27-L31 HydrophobicContact CE2-CD2 4.03Å; Y27-L31 HydrophobicContact CE2-CG 3.89Å; Y27-L31 HydrophobicContact CG-CD1 4.49Å; Y27-L31 PolarHBondContact O-N 3.35Å; V28-L31 PolarHBondContact O-N 2.97Å; L31-L33 VanDerWaalsContact C-N 3.34Å; L31-L33 PolarHBondContact O-N 3.26Å; L31-L34 PolarHBondContact O-N 3.15Å; L31-D35 VanDerWaalsContact O-CB 3.26Å; L31-D35 WeakPolarHBondContact O-CB 3.39Å; L31-D35 PolarHBondContact O-N 3.47Å; L31-I63 HydrophobicContact CD2-CD1 3.57Å; L31-I66 HydrophobicContact CD1-CG2 3.97Å; L31-I66 HydrophobicContact CD2-CG2 3.89Å; L31-H67 HydrophobicContact CB-CB 4Å; L31-H70 HydrophobicContact CD1-CB 3.74Å; L31-P154 HydrophobicContact CD2-CG 3.94Å
32N96.9Very high92.7Very high70 Ų7040.5 Ų40.537%0.37421%0.212SC..Hα-helixtrans-61.9-41.4174-178.771.2000111.9V28 R30 Q36 V37V28-N32 WeakPolarHBondContact O-CB 3.28Å; V28-N32 PolarHBondContact O-N 3.46Å; R30-N32 VanDerWaalsContact C-N 3.31Å; R30-N32 PolarHBondContact O-N 3.1Å; N32-Q36 WeakPolarHBondContact O-CA 3.46Å; N32-Q36 WeakPolarHBondContact O-CB 3.31Å; N32-Q36 PolarHBondContact O-N 3.19Å; N32-Q36 WeakPolarHBondContact OD1-CB 3.41Å; N32-Q36 VanDerWaalsContact OD1-CG 3.22Å; N32-Q36 WeakPolarHBondContact OD1-CG 3.36Å; N32-V37 PolarHBondContact O-N 3.46Å
33L95.1Very high93.4Very high6 Ų636.4 Ų36.43%0.03119%0.194CC..Iπ-helixtrans-59.5-46.4173.7178.363.9000111.5A29 R30 L31 V37 F38 I141A29-L33 PolarHBondContact O-N 2.72Å; A29-L33 VanDerWaalsContact O-N 3.08Å; R30-L33 WeakPolarHBondContact O-CB 3.5Å; R30-L33 PolarHBondContact O-N 3.37Å; L31-L33 VanDerWaalsContact C-N 3.34Å; L31-L33 PolarHBondContact O-N 3.26Å; L33-V37 HydrophobicContact CD1-CB 4.03Å; L33-V37 HydrophobicContact CD1-CG1 4.31Å; L33-V37 HydrophobicContact CD1-CG2 4.07Å; L33-V37 VanDerWaalsContact O-CB 3.28Å; L33-V37 WeakPolarHBondContact O-CB 3.43Å; L33-V37 PolarHBondContact O-N 2.75Å; L33-F38 HydrophobicContact CD1-CD2 4.24Å; L33-F38 HydrophobicContact CD1-CE2 4.05Å; L33-F38 HydrophobicContact CD2-CE2 4.41Å; L33-F38 HydrophobicContact CG-CD2 4.1Å; L33-F38 HydrophobicContact CG-CE2 3.97Å; L33-F38 WeakPolarHBondContact O-CD2 3.33Å; L33-F38 PolarHBondContact O-N 2.56Å; L33-I141 HydrophobicContact CD1-CD1 3.63Å; L33-I141 HydrophobicContact CD1-CG1 3.89Å
34L95.9Very high94.2Very high1 Ų138.6 Ų38.61%0.00520%0.201CC..Iπ-helixtrans-65.7-45178.9-72173.7000113.1R30 L31 F38 C39 I63 L147 H150 M151 P154R30-L34 PolarHBondContact O-N 2.88Å; L31-L34 PolarHBondContact O-N 3.15Å; L34-F38 WeakPolarHBondContact O-CB 3.17Å; L34-C39 WeakPolarHBondContact O-CB 3.38Å; L34-C39 PolarHBondContact O-N 3.46Å; L34-I63 HydrophobicContact CB-CD1 4.46Å; L34-I63 HydrophobicContact CB-CG1 3.95Å; L34-I63 HydrophobicContact CD1-CD1 3.9Å; L34-I63 HydrophobicContact CD1-CG1 4.27Å; L34-L147 HydrophobicContact CD2-CD1 3.58Å; L34-H150 WeakPolarHBondContact CD1-O 3.18Å; L34-H150 HydrophobicContact CD2-CB 3.64Å; L34-H150 HydrophobicContact CG-CB 4.12Å; L34-M151 HydrophobicContact CD2-CB 4.49Å; L34-M151 HydrophobicContact CD2-CG 3.64Å; L34-P154 HydrophobicContact CD1-CG 4.25Å
35D97.5Very high94.4Very high8 Ų840.1 Ų40.14%0.04321%0.208CC..Iπ-helixtrans-84.9-59.9-172.3-178.843.5000111.7L31 C39 T40 S64 H67L31-D35 VanDerWaalsContact O-CB 3.26Å; L31-D35 WeakPolarHBondContact O-CB 3.39Å; L31-D35 PolarHBondContact O-N 3.47Å; D35-C39 VanDerWaalsContact O-CB 3.28Å; D35-C39 WeakPolarHBondContact O-CB 3.33Å; D35-C39 PolarHBondContact O-N 3.03Å; D35-T40 PolarHBondContact O-N 3.08Å; D35-T40 PolarHBondContact O-OG1 3.34Å; D35-S64 WeakPolarHBondContact OD1-CA 3.22Å; D35-S64 WeakPolarHBondContact OD1-CB 3.46Å; D35-S64 PolarHBondContact OD1-OG 2.99Å; D35-H67 HydrophobicContact CB-CB 3.91Å; D35-H67 IonicContact OD2-CE1 3.81Å; D35-H67 IonicContact OD2-CG 3.56Å; D35-H67 IonicContact OD2-ND1 2.66Å; D35-H67 PolarHBondContact OD2-ND1 3.23Å
36Q96.7Very high94.7Very high98 Ų9836.1 Ų36.146%0.45819%0.192SC..Iπ-helixtrans-82.4-19.2-170-61.2-62.2-51.200113.6N32 T40N32-Q36 WeakPolarHBondContact O-CA 3.46Å; N32-Q36 WeakPolarHBondContact O-CB 3.31Å; N32-Q36 PolarHBondContact O-N 3.19Å; N32-Q36 WeakPolarHBondContact OD1-CB 3.41Å; N32-Q36 VanDerWaalsContact OD1-CG 3.22Å; N32-Q36 WeakPolarHBondContact OD1-CG 3.36Å; Q36-T40 WeakPolarHBondContact O-CB 3.45Å
37V96.6Very high95.3Very high36 Ų3638.8 Ų38.822%0.21820%0.199CC..Iπ-helixtrans-103.5-64.2177.7-1680000110.3N32 L33 R41 I136 I141N32-V37 PolarHBondContact O-N 3.46Å; L33-V37 HydrophobicContact CD1-CB 4.03Å; L33-V37 HydrophobicContact CD1-CG1 4.31Å; L33-V37 HydrophobicContact CD1-CG2 4.07Å; L33-V37 VanDerWaalsContact O-CB 3.28Å; L33-V37 WeakPolarHBondContact O-CB 3.43Å; L33-V37 PolarHBondContact O-N 2.75Å; V37-R41 WeakPolarHBondContact O-CB 3.35Å; V37-R41 PolarHBondContact O-N 3.29Å; V37-I136 HydrophobicContact CG1-CD1 4.32Å; V37-I136 HydrophobicContact CG1-CG1 4.34Å; V37-I136 HydrophobicContact CG1-CG2 3.65Å; V37-I141 HydrophobicContact CG1-CD1 4.27Å; V37-I141 HydrophobicContact CG2-CD1 4.35Å
38F97.1Very high95.5Very high0 Ų044.9 Ų44.90%023%0.225CC..Iπ-helixtrans-69.7-59.5-177.5-79-78000112.7L33 L34 T40 R41 M42 F60 I133 I136 Q137 L147L33-F38 HydrophobicContact CD1-CD2 4.24Å; L33-F38 HydrophobicContact CD1-CE2 4.05Å; L33-F38 HydrophobicContact CD2-CE2 4.41Å; L33-F38 HydrophobicContact CG-CD2 4.1Å; L33-F38 HydrophobicContact CG-CE2 3.97Å; L33-F38 WeakPolarHBondContact O-CD2 3.33Å; L33-F38 PolarHBondContact O-N 2.56Å; L34-F38 WeakPolarHBondContact O-CB 3.17Å; F38-T40 PolarHBondContact O-N 3.38Å; F38-R41 PolarHBondContact O-N 2.91Å; F38-M42 WeakPolarHBondContact O-CB 2.96Å; F38-M42 WeakPolarHBondContact O-CG 3.41Å; F38-M42 PolarHBondContact O-N 3.43Å; F38-F60 HydrophobicContact CB-CE1 3.82Å; F38-F60 HydrophobicContact CB-CZ 3.76Å; F38-I133 HydrophobicContact CE1-CG2 4.39Å; F38-I136 HydrophobicContact CD1-CB 4.06Å; F38-I136 HydrophobicContact CD1-CD1 3.72Å; F38-I136 HydrophobicContact CD1-CG2 3.89Å; F38-I136 HydrophobicContact CD2-CG2 3.95Å; F38-I136 HydrophobicContact CE1-CB 3.58Å; F38-I136 HydrophobicContact CE1-CD1 4.14Å; F38-I136 HydrophobicContact CE1-CG1 4.47Å; F38-I136 HydrophobicContact CE1-CG2 3.51Å; F38-I136 HydrophobicContact CE2-CG2 3.57Å; F38-I136 HydrophobicContact CG-CD1 4.24Å; F38-I136 HydrophobicContact CG-CG2 4.11Å; F38-I136 HydrophobicContact CZ-CB 3.86Å; F38-I136 HydrophobicContact CZ-CG2 3.34Å; F38-Q137 HydrophobicContact CE1-CG 4.27Å; F38-Q137 HydrophobicContact CZ-CG 3.92Å; F38-L147 HydrophobicContact CB-CD1 4.14Å; F38-L147 HydrophobicContact CD1-CB 4.47Å; F38-L147 HydrophobicContact CD1-CD1 3.93Å; F38-L147 HydrophobicContact CD1-CD2 3.92Å; F38-L147 HydrophobicContact CD1-CG 4.33Å; F38-L147 HydrophobicContact CD2-CD1 3.78Å; F38-L147 HydrophobicContact CE1-CB 4Å; F38-L147 HydrophobicContact CE1-CD1 4.21Å; F38-L147 HydrophobicContact CE1-CD2 4.2Å; F38-L147 HydrophobicContact CE1-CG 4.36Å; F38-L147 HydrophobicContact CE2-CD1 4.07Å; F38-L147 HydrophobicContact CG-CD1 3.71Å; F38-L147 HydrophobicContact CG-CD2 4.43Å; F38-L147 HydrophobicContact CZ-CB 4.07Å; F38-L147 HydrophobicContact CZ-CD1 4.27Å
39C97.3Very high95.3Very high12 Ų1247.2 Ų47.28%0.08125%0.253CS..Iπ-helixtrans-61.5-49.4-174.3-173.10000111.3L34 D35 R41 M42 M43 F60L34-C39 WeakPolarHBondContact O-CB 3.38Å; L34-C39 PolarHBondContact O-N 3.46Å; D35-C39 VanDerWaalsContact O-CB 3.28Å; D35-C39 WeakPolarHBondContact O-CB 3.33Å; D35-C39 PolarHBondContact O-N 3.03Å; C39-R41 PolarHBondContact O-N 2.79Å; C39-M42 PolarHBondContact O-N 3.19Å; C39-M43 WeakPolarHBondContact O-CB 3.32Å; C39-M43 VanDerWaalsContact O-CG 3.22Å; C39-M43 WeakPolarHBondContact O-CG 3.22Å; C39-M43 PolarHBondContact O-N 3.18Å; C39-F60 HydrophobicContact CB-CB 4.2Å; C39-F60 HydrophobicContact CB-CD1 3.85Å; C39-F60 HydrophobicContact CB-CD2 3.99Å; C39-F60 HydrophobicContact CB-CE1 4.21Å; C39-F60 HydrophobicContact CB-CE2 4.37Å; C39-F60 HydrophobicContact CB-CG 3.73Å; C39-F60 HydrophobicContact CB-CZ 4.48Å
40T96.8Very high95.3Very high47 Ų4746.8 Ų46.829%0.28825%0.245SC..Hα-helixtrans-54.9-50.6176.7-62.50000112D35 Q36 F38 M42 M43 E44D35-T40 PolarHBondContact O-N 3.08Å; D35-T40 PolarHBondContact O-OG1 3.34Å; Q36-T40 WeakPolarHBondContact O-CB 3.45Å; F38-T40 PolarHBondContact O-N 3.38Å; T40-M42 VanDerWaalsContact C-N 3.32Å; T40-M42 PolarHBondContact O-N 3.04Å; T40-M43 PolarHBondContact O-N 3.13Å; T40-E44 HydrophobicContact CG2-CG 4.49Å; T40-E44 WeakPolarHBondContact O-CG 3.38Å; T40-E44 PolarHBondContact O-N 3.4Å
41R96.6Very high95.6Very high91 Ų9143.3 Ų43.334%0.34323%0.232SC..Hα-helixtrans-63.8-39.2-177.6-172.559.4173.6165.1-3.2112.5V37 F38 C39 E44 E45 I132 I136V37-R41 WeakPolarHBondContact O-CB 3.35Å; V37-R41 PolarHBondContact O-N 3.29Å; F38-R41 PolarHBondContact O-N 2.91Å; C39-R41 PolarHBondContact O-N 2.79Å; R41-E44 IonicContact NH1-OE2 2.86Å; R41-E44 PolarHBondContact NH1-OE2 2.71Å; R41-E45 PolarHBondContact O-N 2.89Å; R41-I132 HydrophobicContact CB-CG2 4.24Å; R41-I132 HydrophobicContact CG-CG2 3.55Å; R41-I136 HydrophobicContact CB-CD1 4.03Å; R41-I136 HydrophobicContact CG-CD1 4.15Å
42M96.2Very high95.6Very high0 Ų046.4 Ų46.40%025%0.252CS..Hα-helixtrans-69.8-37.7177.3-64.7-65.3-77.200111.7F38 C39 T40 E45 A46 F51 V56 F60 F129 I132 I133F38-M42 WeakPolarHBondContact O-CB 2.96Å; F38-M42 WeakPolarHBondContact O-CG 3.41Å; F38-M42 PolarHBondContact O-N 3.43Å; C39-M42 PolarHBondContact O-N 3.19Å; T40-M42 VanDerWaalsContact C-N 3.32Å; T40-M42 PolarHBondContact O-N 3.04Å; M42-E45 PolarHBondContact O-N 3.21Å; M42-A46 VanDerWaalsContact O-CB 3.3Å; M42-A46 WeakPolarHBondContact O-CB 3.38Å; M42-A46 PolarHBondContact O-N 2.64Å; M42-F51 HydrophobicContact CE-CE2 4.17Å; M42-F51 HydrophobicContact CE-CZ 3.89Å; M42-F51 WeakPolarHBondContact O-CE2 3.2Å; M42-F51 HydrophobicContact SD-CZ 4.2Å; M42-V56 HydrophobicContact CB-CG1 3.72Å; M42-V56 HydrophobicContact CB-CG2 4.14Å; M42-F60 HydrophobicContact CB-CE2 4.32Å; M42-F60 HydrophobicContact CG-CE2 4.26Å; M42-F129 HydrophobicContact CE-CB 4.34Å; M42-F129 HydrophobicContact CE-CD1 3.68Å; M42-F129 HydrophobicContact CE-CD2 3.12Å; M42-F129 HydrophobicContact CE-CE1 3.58Å; M42-F129 HydrophobicContact CE-CE2 3.01Å; M42-F129 HydrophobicContact CE-CG 3.43Å; M42-F129 VanDerWaalsContact CE-CG 3.43Å; M42-F129 HydrophobicContact CE-CZ 3.22Å; M42-I132 HydrophobicContact CG-CG2 4.22Å; M42-I132 HydrophobicContact SD-CB 3.67Å; M42-I132 HydrophobicContact SD-CD1 4.13Å; M42-I132 HydrophobicContact SD-CG2 3.34Å; M42-I132 WeakPolarHBondContact SD-CG2 3.3Å; M42-I133 HydrophobicContact CE-CD1 4.18Å; M42-I133 HydrophobicContact CE-CG1 4.21Å; M42-I133 HydrophobicContact SD-CG1 4.3Å
43M96.3Very high95.5Very high51 Ų5145.8 Ų45.825%0.25125%0.248SC..Hα-helixtrans-66.2-42.8174.9-75.3-69-76.300111.8C39 T40 E45 A46 N47 L53 V56 K57C39-M43 WeakPolarHBondContact O-CB 3.32Å; C39-M43 VanDerWaalsContact O-CG 3.22Å; C39-M43 WeakPolarHBondContact O-CG 3.22Å; C39-M43 PolarHBondContact O-N 3.18Å; T40-M43 PolarHBondContact O-N 3.13Å; M43-E45 VanDerWaalsContact C-N 3.31Å; M43-E45 PolarHBondContact O-N 3.01Å; M43-A46 PolarHBondContact O-N 2.78Å; M43-N47 WeakPolarHBondContact O-CB 3.35Å; M43-N47 PolarHBondContact O-N 3.38Å; M43-N47 PolarHBondContact O-ND2 2.9Å; M43-L53 HydrophobicContact CE-CD2 4.19Å; M43-L53 HydrophobicContact SD-CD2 4.13Å; M43-V56 HydrophobicContact CG-CB 4.44Å; M43-V56 HydrophobicContact CG-CG1 3.68Å; M43-V56 HydrophobicContact SD-CB 3.83Å; M43-V56 HydrophobicContact SD-CG1 3.7Å; M43-K57 HydrophobicContact SD-CG 4.35Å
44E96.3Very high95.5Very high88 Ų8850.3 Ų50.341%0.41127%0.272SS..Hα-helixtrans-56.6-45.6174.2-76.2176178.600111.6T40 R41 N47T40-E44 HydrophobicContact CG2-CG 4.49Å; T40-E44 WeakPolarHBondContact O-CG 3.38Å; T40-E44 PolarHBondContact O-N 3.4Å; R41-E44 IonicContact NH1-OE2 2.86Å; R41-E44 PolarHBondContact NH1-OE2 2.71Å; E44-N47 PolarHBondContact O-N 3.45Å
45E95.1Very high95.3Very high32 Ų3250.9 Ų50.915%0.1528%0.276CS..Hα-helixtrans-72.3-39.3-179.7-16762.7-152.300112.2R41 M42 M43 N47 K48 T50 F51 I132R41-E45 PolarHBondContact O-N 2.89Å; M42-E45 PolarHBondContact O-N 3.21Å; M43-E45 VanDerWaalsContact C-N 3.31Å; M43-E45 PolarHBondContact O-N 3.01Å; E45-N47 VanDerWaalsContact C-N 3.27Å; E45-N47 PolarHBondContact O-N 3.39Å; E45-K48 WeakPolarHBondContact O-CB 3.34Å; E45-K48 PolarHBondContact O-N 2.88Å; E45-K48 IonicContact OE2-NZ 3.46Å; E45-K48 PolarHBondContact OE2-NZ 3.22Å; E45-T50 HydrophobicContact CG-CG2 4.19Å; E45-T50 PolarHBondContact O-OG1 3.37Å; E45-T50 PolarHBondContact OE1-OG1 3.49Å; E45-F51 HydrophobicContact CB-CE1 4.29Å; E45-F51 HydrophobicContact CB-CZ 3.92Å; E45-F51 HydrophobicContact CG-CE1 3.93Å; E45-F51 HydrophobicContact CG-CZ 4.09Å; E45-I132 HydrophobicContact CB-CD1 3.47Å; E45-I132 VanDerWaalsContact CB-CD1 3.47Å; E45-I132 HydrophobicContact CG-CD1 3.52Å
46A95.2Very high95.3Very high5 Ų550.5 Ų50.54%0.04127%0.274CS..Hα-helixtrans-59.7-37.4173.500000112.3M42 M43 K48 G49 F51 L53 V56M42-A46 VanDerWaalsContact O-CB 3.3Å; M42-A46 WeakPolarHBondContact O-CB 3.38Å; M42-A46 PolarHBondContact O-N 2.64Å; M43-A46 PolarHBondContact O-N 2.78Å; A46-K48 PolarHBondContact O-N 3.44Å; A46-G49 PolarHBondContact O-N 2.83Å; A46-F51 WeakPolarHBondContact CA-O 3.28Å; A46-F51 HydrophobicContact CB-CD2 3.72Å; A46-F51 HydrophobicContact CB-CE2 3.68Å; A46-F51 WeakPolarHBondContact CB-O 3.26Å; A46-L53 HydrophobicContact CB-CD2 3.58Å; A46-L53 HydrophobicContact CB-CG 4.12Å; A46-V56 HydrophobicContact CB-CG2 3.96Å
47N95.1Very high95.1Very high110 Ų11051.1 Ų51.159%0.58828%0.275SS*.Hα-helixtrans-64.4-20.5176.3-80.5-50.4000113.5M43 E44 E45 L53M43-N47 WeakPolarHBondContact O-CB 3.35Å; M43-N47 PolarHBondContact O-N 3.38Å; M43-N47 PolarHBondContact O-ND2 2.9Å; E44-N47 PolarHBondContact O-N 3.45Å; E45-N47 VanDerWaalsContact C-N 3.27Å; E45-N47 PolarHBondContact O-N 3.39Å; N47-L53 WeakPolarHBondContact OD1-CD2 3.31Å
48K95.1Very high94.9Very high134 Ų13452 Ų5258%0.58328%0.279SS*.THydrogen-bonded Turntrans-81.6-4172.7-58.8173.9-162.7160.60113E45 A46E45-K48 WeakPolarHBondContact O-CB 3.34Å; E45-K48 PolarHBondContact O-N 2.88Å; E45-K48 IonicContact OE2-NZ 3.46Å; E45-K48 PolarHBondContact OE2-NZ 3.22Å; A46-K48 PolarHBondContact O-N 3.44Å
49G91.2Very high94.8Very high65 Ų6552.1 Ų52.167%0.6728%0.279SS*.THydrogen-bonded Turntrans91.57179.200000114.7A46 F51A46-G49 PolarHBondContact O-N 2.83Å; G49-F51 VanDerWaalsContact C-N 3.33Å; G49-F51 PolarHBondContact O-N 3.45Å
50T91.4Very high94.7Very high48 Ų4851.7 Ų51.729%0.29428%0.276SS..SBendtrans-69.8-30.1-175.7-47.90000112.8E45 P128E45-T50 HydrophobicContact CG-CG2 4.19Å; E45-T50 PolarHBondContact O-OG1 3.37Å; E45-T50 PolarHBondContact OE1-OG1 3.49Å; T50-P128 HydrophobicContact CG2-CB 3.35Å; T50-P128 HydrophobicContact CG2-CG 3.6Å
51F94.4Very high94.4Very high8 Ų851 Ų514%0.03527%0.273CS..SBendtrans-158.4159.1170.439.4-95.7000110.3M42 E45 A46 G49 L53 V56 W122 F129 I132M42-F51 HydrophobicContact CE-CE2 4.17Å; M42-F51 HydrophobicContact CE-CZ 3.89Å; M42-F51 WeakPolarHBondContact O-CE2 3.2Å; M42-F51 HydrophobicContact SD-CZ 4.2Å; E45-F51 HydrophobicContact CB-CE1 4.29Å; E45-F51 HydrophobicContact CB-CZ 3.92Å; E45-F51 HydrophobicContact CG-CE1 3.93Å; E45-F51 HydrophobicContact CG-CZ 4.09Å; A46-F51 WeakPolarHBondContact CA-O 3.28Å; A46-F51 HydrophobicContact CB-CD2 3.72Å; A46-F51 HydrophobicContact CB-CE2 3.68Å; A46-F51 WeakPolarHBondContact CB-O 3.26Å; G49-F51 VanDerWaalsContact C-N 3.33Å; G49-F51 PolarHBondContact O-N 3.45Å; F51-L53 PolarHBondContact O-N 2.98Å; F51-V56 HydrophobicContact CD2-CG2 3.87Å; F51-V56 HydrophobicContact CE2-CG2 3.55Å; F51-W122 HydrophobicContact CB-CE3 3.8Å; F51-W122 HydrophobicContact CB-CH2 4.39Å; F51-W122 HydrophobicContact CB-CZ3 3.54Å; F51-F129 HydrophobicContact CD1-CB 3.82Å; F51-F129 AromaticContact CD1-CD2 3.86Å; F51-F129 HydrophobicContact CD1-CD2 3.86Å; F51-F129 HydrophobicContact CD1-CG 4.35Å; F51-F129 AromaticContact CD2-CD2 3.72Å; F51-F129 HydrophobicContact CD2-CD2 3.72Å; F51-F129 HydrophobicContact CD2-CE2 4.22Å; F51-F129 HydrophobicContact CE1-CB 3.72Å; F51-F129 AromaticContact CE1-CD2 3.81Å; F51-F129 HydrophobicContact CE1-CD2 3.81Å; F51-F129 HydrophobicContact CE1-CG 4.21Å; F51-F129 AromaticContact CE2-CD2 3.65Å; F51-F129 HydrophobicContact CE2-CD2 3.65Å; F51-F129 HydrophobicContact CE2-CE2 4.11Å; F51-F129 AromaticContact CG-CD2 3.81Å; F51-F129 HydrophobicContact CG-CD2 3.81Å; F51-F129 HydrophobicContact CZ-CB 4.35Å; F51-F129 AromaticContact CZ-CD2 3.7Å; F51-F129 HydrophobicContact CZ-CD2 3.7Å; F51-F129 HydrophobicContact CZ-CE2 4.48Å; F51-F129 HydrophobicContact CZ-CG 4.4Å; F51-I132 HydrophobicContact CZ-CD1 4.44Å
52P95.8Very high94.1Very high64 Ų6447.3 Ų47.342%0.41626%0.26SS..  trans-63.7135.4-174.1-18.930.4000112.5D54 V55 W122P52-D54 PolarHBondContact O-N 3.41Å; P52-V55 HydrophobicContact CB-CG2 3.98Å; P52-V55 HydrophobicContact CG-CG2 4.1Å; P52-V55 VanDerWaalsContact O-CB 3.29Å; P52-V55 WeakPolarHBondContact O-CB 3.32Å; P52-V55 PolarHBondContact O-N 3.15Å; P52-W122 HydrophobicContact CG-CH2 3.67Å; P52-W122 HydrophobicContact CG-CZ2 3.96Å
53L93.8Very high94Very high57 Ų5747.4 Ų47.430%0.29826%0.26SS..Hα-helixtrans-56.5-36.4176.7-74.6164.5000112.8M43 A46 N47 F51 V55 V56 K57M43-L53 HydrophobicContact CE-CD2 4.19Å; M43-L53 HydrophobicContact SD-CD2 4.13Å; A46-L53 HydrophobicContact CB-CD2 3.58Å; A46-L53 HydrophobicContact CB-CG 4.12Å; N47-L53 WeakPolarHBondContact OD1-CD2 3.31Å; F51-L53 PolarHBondContact O-N 2.98Å; L53-V55 PolarHBondContact O-N 3.45Å; L53-V56 PolarHBondContact O-N 2.88Å; L53-K57 WeakPolarHBondContact O-CG 3.37Å; L53-K57 PolarHBondContact O-N 2.94Å
54D94.4Very high93.8Very high101 Ų10147.5 Ų47.554%0.5427%0.266SS..Hα-helixtrans-63.5-26.3-180-67.9-29.8000112.3P52 N58P52-D54 PolarHBondContact O-N 3.41Å; D54-N58 VanDerWaalsContact O-CB 3.28Å; D54-N58 WeakPolarHBondContact O-CB 3.41Å; D54-N58 PolarHBondContact O-N 3.28Å; D54-N58 PolarHBondContact O-ND2 3.41Å
55V93.5Very high93.6Very high13 Ų1346.2 Ų46.28%0.07927%0.267CS..Hα-helixtrans-65.5-49.2175.7172.60000110.1P52 L53 K57 N58 I59 W122 F129P52-V55 HydrophobicContact CB-CG2 3.98Å; P52-V55 HydrophobicContact CG-CG2 4.1Å; P52-V55 VanDerWaalsContact O-CB 3.29Å; P52-V55 WeakPolarHBondContact O-CB 3.32Å; P52-V55 PolarHBondContact O-N 3.15Å; L53-V55 PolarHBondContact O-N 3.45Å; V55-K57 VanDerWaalsContact C-N 3.35Å; V55-K57 PolarHBondContact O-N 2.77Å; V55-N58 PolarHBondContact O-N 3.5Å; V55-I59 HydrophobicContact CG1-CD1 3.76Å; V55-I59 HydrophobicContact CG1-CG1 4.49Å; V55-I59 VanDerWaalsContact O-CG1 3.31Å; V55-I59 WeakPolarHBondContact O-CG1 3.41Å; V55-I59 PolarHBondContact O-N 2.71Å; V55-W122 HydrophobicContact CB-CD2 4.4Å; V55-W122 HydrophobicContact CB-CG 4.5Å; V55-W122 HydrophobicContact CG1-CB 4.11Å; V55-W122 HydrophobicContact CG1-CD2 3.74Å; V55-W122 HydrophobicContact CG1-CG 3.4Å; V55-W122 VanDerWaalsContact CG1-CG 3.4Å; V55-W122 HydrophobicContact CG2-CD2 3.99Å; V55-W122 HydrophobicContact CG2-CG 4.41Å; V55-W122 HydrophobicContact CG2-CH2 4.31Å; V55-W122 HydrophobicContact CG2-CZ2 3.46Å; V55-W122 VanDerWaalsContact CG2-CZ2 3.46Å; V55-W122 VanDerWaalsContact CG2-NE1 3.29Å; V55-F129 HydrophobicContact CG1-CE2 4.14Å
56V95.8Very high93.4Very high0 Ų044.7 Ų44.70%026%0.26CS..Hα-helixtrans-62.8-45.8179.5-172.40000109.7M42 M43 A46 F51 L53 N58 I59 F60M42-V56 HydrophobicContact CB-CG1 3.72Å; M42-V56 HydrophobicContact CB-CG2 4.14Å; M43-V56 HydrophobicContact CG-CB 4.44Å; M43-V56 HydrophobicContact CG-CG1 3.68Å; M43-V56 HydrophobicContact SD-CB 3.83Å; M43-V56 HydrophobicContact SD-CG1 3.7Å; A46-V56 HydrophobicContact CB-CG2 3.96Å; F51-V56 HydrophobicContact CD2-CG2 3.87Å; F51-V56 HydrophobicContact CE2-CG2 3.55Å; L53-V56 PolarHBondContact O-N 2.88Å; V56-N58 VanDerWaalsContact C-N 3.32Å; V56-N58 PolarHBondContact O-N 3.21Å; V56-I59 PolarHBondContact O-N 3.2Å; V56-F60 HydrophobicContact CG1-CD2 3.65Å; V56-F60 HydrophobicContact CG1-CE2 3.97Å; V56-F60 WeakPolarHBondContact O-CD2 3.39Å; V56-F60 PolarHBondContact O-N 3.41Å
57K93.9Very high93.4Very high112 Ų11245.1 Ų45.149%0.48726%0.261SS..Hα-helixtrans-58.8-40174.8-68.5177.4-177.6173.80112.8M43 L53 V55 S61M43-K57 HydrophobicContact SD-CG 4.35Å; L53-K57 WeakPolarHBondContact O-CG 3.37Å; L53-K57 PolarHBondContact O-N 2.94Å; V55-K57 VanDerWaalsContact C-N 3.35Å; V55-K57 PolarHBondContact O-N 2.77Å; K57-S61 WeakPolarHBondContact O-CA 3.28Å; K57-S61 PolarHBondContact O-N 2.95Å
58N92.6Very high93.2Very high55 Ų5541.3 Ų41.329%0.29425%0.245SC..Hα-helixtrans-75.6-27.9178.3-80.7-76.4000112.9D54 V55 V56 N111 K114 L118D54-N58 VanDerWaalsContact O-CB 3.28Å; D54-N58 WeakPolarHBondContact O-CB 3.41Å; D54-N58 PolarHBondContact O-N 3.28Å; D54-N58 PolarHBondContact O-ND2 3.41Å; V55-N58 PolarHBondContact O-N 3.5Å; V56-N58 VanDerWaalsContact C-N 3.32Å; V56-N58 PolarHBondContact O-N 3.21Å; N58-N111 PolarHBondContact O-ND2 3.01Å; N58-K114 PolarHBondContact OD1-NZ 3.04Å; N58-L118 HydrophobicContact CB-CD1 3.42Å; N58-L118 VanDerWaalsContact CB-CD1 3.42Å
59I93.5Very high93.1Very high1 Ų135.4 Ų35.41%0.00522%0.219CC..Hα-helixtrans-74-50.3176.1-72.1169.8000110V55 V56 S61 A115 L118 L119 F129 M151V55-I59 HydrophobicContact CG1-CD1 3.76Å; V55-I59 HydrophobicContact CG1-CG1 4.49Å; V55-I59 VanDerWaalsContact O-CG1 3.31Å; V55-I59 WeakPolarHBondContact O-CG1 3.41Å; V55-I59 PolarHBondContact O-N 2.71Å; V56-I59 PolarHBondContact O-N 3.2Å; I59-S61 VanDerWaalsContact C-N 3.34Å; I59-A115 VanDerWaalsContact O-CB 3.27Å; I59-A115 WeakPolarHBondContact O-CB 3.37Å; I59-L118 HydrophobicContact CD1-CB 4.17Å; I59-L118 HydrophobicContact CG1-CB 3.71Å; I59-L119 HydrophobicContact CD1-CB 4.18Å; I59-L119 HydrophobicContact CD1-CD1 4.32Å; I59-L119 HydrophobicContact CG1-CB 4.38Å; I59-L119 HydrophobicContact CG2-CB 4.31Å; I59-L119 HydrophobicContact CG2-CD1 4.26Å; I59-F129 HydrophobicContact CD1-CE1 4.48Å; I59-F129 HydrophobicContact CD1-CE2 4.12Å; I59-F129 HydrophobicContact CD1-CZ 3.49Å; I59-F129 VanDerWaalsContact CD1-CZ 3.49Å; I59-M151 HydrophobicContact CG2-CE 3.85Å; I59-M151 HydrophobicContact CG2-SD 4.21Å; I59-M151 WeakPolarHBondContact O-CE 3.24Å
60F94.9Very high93.2Very high3 Ų332.3 Ų32.31%0.01319%0.187CC..Hα-helixtrans-85.2-10.5-176.6-69.1-76.1000113F38 C39 M42 V56 N62 I63 L147F38-F60 HydrophobicContact CB-CE1 3.82Å; F38-F60 HydrophobicContact CB-CZ 3.76Å; C39-F60 HydrophobicContact CB-CB 4.2Å; C39-F60 HydrophobicContact CB-CD1 3.85Å; C39-F60 HydrophobicContact CB-CD2 3.99Å; C39-F60 HydrophobicContact CB-CE1 4.21Å; C39-F60 HydrophobicContact CB-CE2 4.37Å; C39-F60 HydrophobicContact CB-CG 3.73Å; C39-F60 HydrophobicContact CB-CZ 4.48Å; M42-F60 HydrophobicContact CB-CE2 4.32Å; M42-F60 HydrophobicContact CG-CE2 4.26Å; V56-F60 HydrophobicContact CG1-CD2 3.65Å; V56-F60 HydrophobicContact CG1-CE2 3.97Å; V56-F60 WeakPolarHBondContact O-CD2 3.39Å; V56-F60 PolarHBondContact O-N 3.41Å; F60-N62 PolarHBondContact O-N 2.84Å; F60-I63 HydrophobicContact CB-CG2 3.71Å; F60-I63 HydrophobicContact CD1-CG2 4.22Å; F60-I63 HydrophobicContact CG-CG2 4.4Å; F60-I63 WeakPolarHBondContact O-CB 3.38Å; F60-I63 WeakPolarHBondContact O-CG2 3.22Å; F60-I63 PolarHBondContact O-N 3.17Å; F60-L147 HydrophobicContact CE1-CD1 4.01Å; F60-L147 HydrophobicContact CE1-CD2 4.44Å; F60-L147 HydrophobicContact CZ-CD1 4.33Å; F60-L147 HydrophobicContact CZ-CD2 3.98Å
61S91.8Very high93.3Very high32 Ų3231.6 Ų31.622%0.22418%0.184CC..THydrogen-bonded Turntrans49.7-127.5177.7-169.50000110.8K57 I59K57-S61 WeakPolarHBondContact O-CA 3.28Å; K57-S61 PolarHBondContact O-N 2.95Å; I59-S61 VanDerWaalsContact C-N 3.34Å
62N89.6Confident93.2Very high15 Ų1537.3 Ų37.38%0.0821%0.211CC..THydrogen-bonded Turntrans-97.226.5176.364.7-5.9000113.5F60 S64 S65 I66 M104 E107 Y108F60-N62 PolarHBondContact O-N 2.84Å; N62-S64 PolarHBondContact O-N 2.96Å; N62-S64 VanDerWaalsContact O-N 3.16Å; N62-S65 WeakPolarHBondContact O-CB 3.45Å; N62-S65 PolarHBondContact O-N 3.32Å; N62-I66 PolarHBondContact O-N 3.17Å; N62-M104 PolarHBondContact ND2-O 3.22Å; N62-E107 PolarHBondContact ND2-OE2 3.39Å; N62-Y108 WeakPolarHBondContact OD1-CB 3.22Å
63I94.1Very high93Very high1 Ų139.9 Ų39.91%0.00522%0.216CC..Hα-helixtrans-54.6-36.7-177.7-16661000113.3L31 L34 F60 S65 I66 H67 Y108 P154L31-I63 HydrophobicContact CD2-CD1 3.57Å; L34-I63 HydrophobicContact CB-CD1 4.46Å; L34-I63 HydrophobicContact CB-CG1 3.95Å; L34-I63 HydrophobicContact CD1-CD1 3.9Å; L34-I63 HydrophobicContact CD1-CG1 4.27Å; F60-I63 HydrophobicContact CB-CG2 3.71Å; F60-I63 HydrophobicContact CD1-CG2 4.22Å; F60-I63 HydrophobicContact CG-CG2 4.4Å; F60-I63 WeakPolarHBondContact O-CB 3.38Å; F60-I63 WeakPolarHBondContact O-CG2 3.22Å; F60-I63 PolarHBondContact O-N 3.17Å; I63-S65 VanDerWaalsContact C-N 3.28Å; I63-S65 PolarHBondContact O-N 3.22Å; I63-I66 WeakPolarHBondContact O-CB 3.36Å; I63-I66 PolarHBondContact O-N 2.74Å; I63-H67 WeakPolarHBondContact O-CB 3.16Å; I63-H67 PolarHBondContact O-N 3.06Å; I63-Y108 HydrophobicContact CB-CE2 4.15Å; I63-Y108 HydrophobicContact CD1-CE2 3.9Å; I63-P154 HydrophobicContact CD1-CG 3.83Å
64S93Very high92.9Very high53 Ų5337.3 Ų37.337%0.37120%0.203SC..Hα-helixtrans-64.7-34.1178.7-47.20000112.1D35 N62 A68D35-S64 WeakPolarHBondContact OD1-CA 3.22Å; D35-S64 WeakPolarHBondContact OD1-CB 3.46Å; D35-S64 PolarHBondContact OD1-OG 2.99Å; N62-S64 PolarHBondContact O-N 2.96Å; N62-S64 VanDerWaalsContact O-N 3.16Å; S64-A68 VanDerWaalsContact O-CB 3.27Å; S64-A68 WeakPolarHBondContact O-CB 3.36Å; S64-A68 PolarHBondContact O-N 3.15Å
65S91.4Very high92.9Very high62 Ų6233.5 Ų33.543%0.43418%0.182SC..Hα-helixtrans-70.5-39.7175.6-59.40000111.1N62 I63 F69N62-S65 WeakPolarHBondContact O-CB 3.45Å; N62-S65 PolarHBondContact O-N 3.32Å; I63-S65 VanDerWaalsContact C-N 3.28Å; I63-S65 PolarHBondContact O-N 3.22Å; S65-F69 WeakPolarHBondContact O-CB 3.41Å; S65-F69 PolarHBondContact O-N 3.17Å; S65-F69 VanDerWaalsContact O-N 3.08Å
66I90.8Very high93.1Very high0 Ų035.3 Ų35.30%019%0.194CC..Hα-helixtrans-62.9-50.4173.6-62.6174.8000109.7L31 N62 I63 A68 F69 H70 Y105 Y108L31-I66 HydrophobicContact CD1-CG2 3.97Å; L31-I66 HydrophobicContact CD2-CG2 3.89Å; N62-I66 PolarHBondContact O-N 3.17Å; I63-I66 WeakPolarHBondContact O-CB 3.36Å; I63-I66 PolarHBondContact O-N 2.74Å; I66-A68 PolarHBondContact O-N 3.07Å; I66-F69 PolarHBondContact O-N 3.43Å; I66-H70 PolarHBondContact O-CD2 3.19Å; I66-H70 PolarHBondContact O-N 2.99Å; I66-Y105 HydrophobicContact CD1-CD1 4.33Å; I66-Y105 HydrophobicContact CD1-CE1 4.32Å; I66-Y105 HydrophobicContact CG2-CE1 4.16Å; I66-Y105 HydrophobicContact CG2-CE2 4.12Å; I66-Y105 WeakPolarHBondContact CG2-OH 3.17Å; I66-Y108 HydrophobicContact CD1-CD2 4Å; I66-Y108 HydrophobicContact CD1-CG 3.95Å
67H95.1Very high93.1Very high13 Ų1337.9 Ų37.96%0.0621%0.208CC..Hα-helixtrans-59.5-47.3179.1179.3-138.4000112.8L31 D35 I63 F69 H70 S71L31-H67 HydrophobicContact CB-CB 4Å; D35-H67 HydrophobicContact CB-CB 3.91Å; D35-H67 IonicContact OD2-CE1 3.81Å; D35-H67 IonicContact OD2-CG 3.56Å; D35-H67 IonicContact OD2-ND1 2.66Å; D35-H67 PolarHBondContact OD2-ND1 3.23Å; I63-H67 WeakPolarHBondContact O-CB 3.16Å; I63-H67 PolarHBondContact O-N 3.06Å; H67-F69 VanDerWaalsContact C-N 3.33Å; H67-F69 PolarHBondContact O-N 2.82Å; H67-H70 PolarHBondContact O-N 3.35Å; H67-S71 VanDerWaalsContact O-CB 3.31Å; H67-S71 WeakPolarHBondContact O-CB 3.45Å; H67-S71 PolarHBondContact O-N 3.11Å; H67-S71 PolarHBondContact O-OG 3.46Å
68A92.1Very high93.2Very high31 Ų3132.6 Ų32.626%0.25619%0.185SC..Hα-helixtrans-60.6-43.3178.300000111.6S64 I66 Q72S64-A68 VanDerWaalsContact O-CB 3.27Å; S64-A68 WeakPolarHBondContact O-CB 3.36Å; S64-A68 PolarHBondContact O-N 3.15Å; I66-A68 PolarHBondContact O-N 3.07Å; A68-Q72 WeakPolarHBondContact O-CB 3.43Å; A68-Q72 WeakPolarHBondContact O-CG 3.39Å; A68-Q72 PolarHBondContact O-N 3.49Å
69F91.3Very high93.4Very high10 Ų1034 Ų344%0.04419%0.189CC..Hα-helixtrans-60.1-49.7177.3170.8-101.3000112.1S65 I66 H67 F73 L74 L98 F101 M104S65-F69 WeakPolarHBondContact O-CB 3.41Å; S65-F69 PolarHBondContact O-N 3.17Å; S65-F69 VanDerWaalsContact O-N 3.08Å; I66-F69 PolarHBondContact O-N 3.43Å; H67-F69 VanDerWaalsContact C-N 3.33Å; H67-F69 PolarHBondContact O-N 2.82Å; F69-F73 HydrophobicContact CD2-CB 4.31Å; F69-F73 HydrophobicContact CD2-CD2 4.39Å; F69-F73 HydrophobicContact CE2-CB 4.32Å; F69-F73 WeakPolarHBondContact O-CB 3.25Å; F69-F73 PolarHBondContact O-N 3.48Å; F69-F73 VanDerWaalsContact O-N 3.13Å; F69-L74 HydrophobicContact CE1-CB 4.21Å; F69-L74 HydrophobicContact CE1-CD2 4.42Å; F69-L74 HydrophobicContact CZ-CB 4.27Å; F69-L74 PolarHBondContact O-N 3.41Å; F69-L98 HydrophobicContact CE1-CD2 3.22Å; F69-L98 HydrophobicContact CZ-CD2 3.31Å; F69-L98 HydrophobicContact CZ-CG 4.3Å; F69-F101 HydrophobicContact CB-CD1 4.37Å; F69-F101 HydrophobicContact CD1-CB 4.26Å; F69-F101 HydrophobicContact CD1-CG 4.34Å; F69-F101 HydrophobicContact CD2-CB 4.29Å; F69-F101 AromaticContact CD2-CD1 3.53Å; F69-F101 HydrophobicContact CD2-CD1 3.53Å; F69-F101 AromaticContact CD2-CD2 3.56Å; F69-F101 HydrophobicContact CD2-CD2 3.56Å; F69-F101 AromaticContact CD2-CE1 3.58Å; F69-F101 HydrophobicContact CD2-CE1 3.58Å; F69-F101 AromaticContact CD2-CE2 3.63Å; F69-F101 HydrophobicContact CD2-CE2 3.63Å; F69-F101 AromaticContact CD2-CG 3.51Å; F69-F101 HydrophobicContact CD2-CG 3.51Å; F69-F101 AromaticContact CD2-CZ 3.62Å; F69-F101 HydrophobicContact CD2-CZ 3.62Å; F69-F101 HydrophobicContact CE1-CB 4.27Å; F69-F101 HydrophobicContact CE1-CD2 4.47Å; F69-F101 HydrophobicContact CE1-CG 4.4Å; F69-F101 HydrophobicContact CE2-CB 4.28Å; F69-F101 HydrophobicContact CE2-CD1 4.05Å; F69-F101 AromaticContact CE2-CD2 3.14Å; F69-F101 HydrophobicContact CE2-CD2 3.14Å; F69-F101 HydrophobicContact CE2-CE1 4.13Å; F69-F101 AromaticContact CE2-CE2 3.27Å; F69-F101 HydrophobicContact CE2-CE2 3.27Å; F69-F101 AromaticContact CE2-CG 3.56Å; F69-F101 HydrophobicContact CE2-CG 3.56Å; F69-F101 AromaticContact CE2-CZ 3.76Å; F69-F101 HydrophobicContact CE2-CZ 3.76Å; F69-F101 HydrophobicContact CG-CB 4.28Å; F69-F101 AromaticContact CG-CD1 3.92Å; F69-F101 HydrophobicContact CG-CD1 3.92Å; F69-F101 HydrophobicContact CG-CD2 4.37Å; F69-F101 HydrophobicContact CG-CE1 4.32Å; F69-F101 AromaticContact CG-CG 3.92Å; F69-F101 HydrophobicContact CG-CG 3.92Å; F69-F101 HydrophobicContact CZ-CB 4.27Å; F69-F101 AromaticContact CZ-CD2 3.67Å; F69-F101 HydrophobicContact CZ-CD2 3.67Å; F69-F101 HydrophobicContact CZ-CE2 4.19Å; F69-F101 HydrophobicContact CZ-CG 4.02Å; F69-M104 HydrophobicContact CB-CE 4.13Å
70H93.2Very high93.5Very high0 Ų040.1 Ų40.10%022%0.216CC..Iπ-helixtrans-69.8-41.7-177.3-78.1-85.3000112.7E24 Y27 V28 L31 I66 H67 L74 L75 Y105 Y161E24-H70 IonicContact OE1-CE1 3.63Å; E24-H70 IonicContact OE1-CG 2.72Å; E24-H70 IonicContact OE1-ND1 3.26Å; E24-H70 PolarHBondContact OE1-ND1 3.17Å; Y27-H70 AromaticContact CE1-CE1 3.88Å; Y27-H70 AromaticContact CE1-CG 3.96Å; Y27-H70 AromaticContact CE1-ND1 3.83Å; V28-H70 HydrophobicContact CG2-CB 3.83Å; L31-H70 HydrophobicContact CD1-CB 3.74Å; I66-H70 PolarHBondContact O-CD2 3.19Å; I66-H70 PolarHBondContact O-N 2.99Å; H67-H70 PolarHBondContact O-N 3.35Å; H70-L74 WeakPolarHBondContact ND1-CD2 3.45Å; H70-L75 VanDerWaalsContact O-CB 3.28Å; H70-L75 WeakPolarHBondContact O-CB 3.41Å; H70-L75 PolarHBondContact O-N 2.86Å; H70-Y105 PolarHBondContact CD2-OH 2.85Å; H70-Y105 VanDerWaalsContact CD2-OH 3.31Å; H70-Y105 PolarHBondContact CE1-OH 3.28Å; H70-Y105 AromaticContact NE2-CE2 3.6Å; H70-Y105 AromaticContact NE2-CZ 3.55Å; H70-Y105 PolarHBondContact NE2-OH 3.37Å; H70-Y161 AromaticContact CE1-CZ 3.99Å; H70-Y161 PolarHBondContact CE1-OH 3.23Å; H70-Y161 PolarHBondContact ND1-OH 3.41Å
71S94.8Very high93.6Very high33 Ų3341.5 Ų41.523%0.23122%0.221CC..Iπ-helixtrans-77.7-35.6-176.960.60000114H67 P76H67-S71 VanDerWaalsContact O-CB 3.31Å; H67-S71 WeakPolarHBondContact O-CB 3.45Å; H67-S71 PolarHBondContact O-N 3.11Å; H67-S71 PolarHBondContact O-OG 3.46Å; S71-P76 WeakPolarHBondContact O-CD 3.31Å; S71-P76 WeakPolarHBondContact O-CG 3.24Å
72Q92.3Very high93.8Very high128 Ų12841.3 Ų41.360%0.59822%0.217SC*.Iπ-helixtrans-97.7-20.9-173.2-56.4176.711.400113.4A68A68-Q72 WeakPolarHBondContact O-CB 3.43Å; A68-Q72 WeakPolarHBondContact O-CG 3.39Å; A68-Q72 PolarHBondContact O-N 3.49Å
73F91.3Very high94.1Very high117 Ų11744 Ų4451%0.51325%0.248SC..Iπ-helixtrans-121.6-60.8-175.5-56.1-90.5000112.4F69 D77F69-F73 HydrophobicContact CD2-CB 4.31Å; F69-F73 HydrophobicContact CD2-CD2 4.39Å; F69-F73 HydrophobicContact CE2-CB 4.32Å; F69-F73 WeakPolarHBondContact O-CB 3.25Å; F69-F73 PolarHBondContact O-N 3.48Å; F69-F73 VanDerWaalsContact O-N 3.13Å; F73-D77 WeakPolarHBondContact O-CB 3.29Å; F73-D77 PolarHBondContact O-N 3.28Å
74L91.7Very high94.1Very high4 Ų448.7 Ų48.72%0.02127%0.27CS..Iπ-helixtrans-69.2-51-170.6-175.961.6000113E24 F69 H70 D77 L78 I94 L98E24-L74 HydrophobicContact CG-CD2 4.45Å; F69-L74 HydrophobicContact CE1-CB 4.21Å; F69-L74 HydrophobicContact CE1-CD2 4.42Å; F69-L74 HydrophobicContact CZ-CB 4.27Å; F69-L74 PolarHBondContact O-N 3.41Å; H70-L74 WeakPolarHBondContact ND1-CD2 3.45Å; L74-D77 PolarHBondContact O-N 3.48Å; L74-L78 HydrophobicContact CD1-CD1 4.1Å; L74-L78 HydrophobicContact CD1-CG 4.26Å; L74-L78 HydrophobicContact CG-CD1 3.95Å; L74-L78 HydrophobicContact CG-CG 4.49Å; L74-L78 WeakPolarHBondContact O-CG 3.49Å; L74-L78 PolarHBondContact O-N 3.11Å; L74-I94 HydrophobicContact CD1-CG2 3.65Å; L74-L98 HydrophobicContact CD1-CD2 3.89Å; L74-L98 HydrophobicContact CD1-CG 4.2Å; L74-L98 HydrophobicContact CD2-CD1 4.45Å; L74-L98 HydrophobicContact CD2-CD2 3.43Å; L74-L98 VanDerWaalsContact CD2-CD2 3.43Å; L74-L98 HydrophobicContact CD2-CG 4.39Å; L74-L98 HydrophobicContact CG-CD2 4.15Å
75L95.3Very high94.2Very high20 Ų2047.4 Ų47.411%0.10526%0.257CS..Hα-helixtrans-62.6-47.5-178172.964.2000112.1L21 E24 K25 V28 H70 D77 L78 E79L21-L75 HydrophobicContact CD1-CD1 3.7Å; E24-L75 HydrophobicContact CG-CB 4.28Å; E24-L75 HydrophobicContact CG-CD1 4.25Å; K25-L75 HydrophobicContact CG-CD1 3.5Å; K25-L75 VanDerWaalsContact CG-CD1 3.5Å; K25-L75 HydrophobicContact CG-CD2 4.4Å; V28-L75 HydrophobicContact CB-CD2 4.05Å; V28-L75 HydrophobicContact CG1-CD2 4.01Å; V28-L75 HydrophobicContact CG2-CB 4.07Å; V28-L75 HydrophobicContact CG2-CD2 3.98Å; H70-L75 VanDerWaalsContact O-CB 3.28Å; H70-L75 WeakPolarHBondContact O-CB 3.41Å; H70-L75 PolarHBondContact O-N 2.86Å; L75-D77 VanDerWaalsContact C-N 3.35Å; L75-D77 PolarHBondContact O-N 3.4Å; L75-L78 PolarHBondContact O-N 3.05Å; L75-E79 HydrophobicContact CD1-CG 3.89Å; L75-E79 HydrophobicContact CG-CG 4.34Å; L75-E79 WeakPolarHBondContact O-CG 3.24Å; L75-E79 PolarHBondContact O-N 2.92Å
76P96.7Very high94.2Very high51 Ų5149.4 Ų49.433%0.33128%0.277SS..Hα-helixtrans-59.8-40.7176.1-26.936.6000113.7S71 L78 E79 K80S71-P76 WeakPolarHBondContact O-CD 3.31Å; S71-P76 WeakPolarHBondContact O-CG 3.24Å; P76-L78 VanDerWaalsContact C-N 3.35Å; P76-L78 PolarHBondContact O-N 2.96Å; P76-E79 PolarHBondContact O-N 3.03Å; P76-K80 WeakPolarHBondContact O-CB 3.4Å; P76-K80 PolarHBondContact O-N 3.4Å
77D95.6Very high94.3Very high54 Ų5454.2 Ų54.229%0.28931%0.311SS..Hα-helixtrans-62.6-42.2176.5-88.57.6000110.9F73 L74 L75 R81 I94 K97F73-D77 WeakPolarHBondContact O-CB 3.29Å; F73-D77 PolarHBondContact O-N 3.28Å; L74-D77 PolarHBondContact O-N 3.48Å; L75-D77 VanDerWaalsContact C-N 3.35Å; L75-D77 PolarHBondContact O-N 3.4Å; D77-R81 VanDerWaalsContact O-CB 3.24Å; D77-R81 WeakPolarHBondContact O-CB 3.07Å; D77-R81 PolarHBondContact O-N 2.72Å; D77-I94 HydrophobicContact CB-CD1 4.29Å; D77-I94 HydrophobicContact CB-CG1 4.39Å; D77-I94 HydrophobicContact CB-CG2 3.99Å; D77-K97 IonicContact OD2-NZ 2.79Å; D77-K97 PolarHBondContact OD2-NZ 3.42Å
78L95.4Very high94.2Very high2 Ų255.9 Ų55.91%0.0132%0.322CS..Hα-helixtrans-67.9-42.7176.4-71172.1000112.3L20 L21 E24 L74 L75 P76 R81 M82 I94L20-L78 HydrophobicContact CD2-CD1 4.39Å; L20-L78 HydrophobicContact CD2-CD2 3.83Å; L20-L78 HydrophobicContact CG-CD1 4.16Å; L20-L78 HydrophobicContact CG-CD2 4.36Å; L21-L78 HydrophobicContact CD1-CB 3.86Å; E24-L78 HydrophobicContact CB-CD1 4.14Å; E24-L78 HydrophobicContact CG-CD1 3.94Å; L74-L78 HydrophobicContact CD1-CD1 4.1Å; L74-L78 HydrophobicContact CD1-CG 4.26Å; L74-L78 HydrophobicContact CG-CD1 3.95Å; L74-L78 HydrophobicContact CG-CG 4.49Å; L74-L78 WeakPolarHBondContact O-CG 3.49Å; L74-L78 PolarHBondContact O-N 3.11Å; L75-L78 PolarHBondContact O-N 3.05Å; P76-L78 VanDerWaalsContact C-N 3.35Å; P76-L78 PolarHBondContact O-N 2.96Å; L78-R81 PolarHBondContact O-N 2.84Å; L78-M82 WeakPolarHBondContact O-CB 3.33Å; L78-M82 VanDerWaalsContact O-CG 3.28Å; L78-M82 WeakPolarHBondContact O-CG 3.2Å; L78-M82 PolarHBondContact O-N 3.09Å; L78-I94 HydrophobicContact CD2-CD1 4.31Å; L78-I94 HydrophobicContact CD2-CG2 4.08Å; L78-I94 HydrophobicContact CG-CG2 4.26Å
79E97.4Very high94.2Very high83 Ų8357.8 Ų57.839%0.38833%0.332SS..Hα-helixtrans-61.2-46.2177.2-75.9-173.9140.500111.5L21 K25 L75 P76 M82 G83L21-E79 HydrophobicContact CD1-CG 3.65Å; K25-E79 WeakPolarHBondContact CE-OE1 3.27Å; K25-E79 IonicContact NZ-OE1 3.68Å; K25-E79 PolarHBondContact NZ-OE1 3.18Å; L75-E79 HydrophobicContact CD1-CG 3.89Å; L75-E79 HydrophobicContact CG-CG 4.34Å; L75-E79 WeakPolarHBondContact O-CG 3.24Å; L75-E79 PolarHBondContact O-N 2.92Å; P76-E79 PolarHBondContact O-N 3.03Å; E79-M82 PolarHBondContact O-N 3.08Å; E79-G83 PolarHBondContact O-N 3.14Å
80K96.8Very high94.3Very high131 Ų13160.1 Ų60.157%0.5734%0.341SS*.Hα-helixtrans-60.2-48175.1-177.3179.5177.5-177.90111.2P76 M82 G83 E84P76-K80 WeakPolarHBondContact O-CB 3.4Å; P76-K80 PolarHBondContact O-N 3.4Å; K80-M82 VanDerWaalsContact C-N 3.3Å; K80-M82 PolarHBondContact O-N 3.25Å; K80-G83 PolarHBondContact O-N 3.41Å; K80-G83 VanDerWaalsContact O-N 3.15Å; K80-E84 PolarHBondContact O-N 3.2Å
81R95.7Very high94.3Very high31 Ų3160.3 Ų60.312%0.11734%0.342CS..Hα-helixtrans-58.5-42179.4177.656.257.275.6-4.8112.3D77 L78 E84 W85 T88 R90 I91 D93 I94D77-R81 VanDerWaalsContact O-CB 3.24Å; D77-R81 WeakPolarHBondContact O-CB 3.07Å; D77-R81 PolarHBondContact O-N 2.72Å; L78-R81 PolarHBondContact O-N 2.84Å; R81-E84 CarbonylContact O-C 3.51Å; R81-E84 PolarHBondContact O-N 3.26Å; R81-W85 HydrophobicContact CG-CE3 4.12Å; R81-W85 HydrophobicContact CG-CZ3 4.11Å; R81-W85 WeakPolarHBondContact O-CA 3.39Å; R81-W85 PolarHBondContact O-N 3.12Å; R81-T88 WeakPolarHBondContact CD-O 3.24Å; R81-R90 WeakPolarHBondContact CD-O 3.49Å; R81-R90 WeakPolarHBondContact CG-O 3.49Å; R81-R90 VanDerWaalsContact NH1-C 3.27Å; R81-R90 PolarHBondContact NH1-O 3.4Å; R81-I91 HydrophobicContact CG-CG2 4.44Å; R81-D93 IonicContact CZ-OD1 2.77Å; R81-D93 IonicContact CZ-OD2 2.74Å; R81-D93 IonicContact NH1-OD1 3.03Å; R81-D93 PolarHBondContact NH1-OD1 2.67Å; R81-D93 IonicContact NH1-OD2 3.34Å; R81-D93 IonicContact NH2-OD1 3.15Å; R81-D93 PolarHBondContact NH2-OD1 3.31Å; R81-D93 IonicContact NH2-OD2 3.55Å; R81-D93 PolarHBondContact NH2-OD2 2.72Å; R81-I94 HydrophobicContact CB-CD1 3.59Å; R81-I94 HydrophobicContact CG-CD1 3.82Å
82M96.4Very high94.2Very high28 Ų2858.8 Ų58.814%0.13833%0.331CS..Hα-helixtrans-72.3-30.9178.5-68.1-55.3-6000112.5F14 A17 S18 L21 L78 E79 K80 E84 W85F14-M82 HydrophobicContact CD2-CE 3.79Å; F14-M82 HydrophobicContact CE2-CE 3.4Å; F14-M82 HydrophobicContact CZ-CE 3.95Å; A17-M82 HydrophobicContact CB-CE 4.34Å; A17-M82 HydrophobicContact CB-SD 3.63Å; S18-M82 WeakPolarHBondContact OG-CE 3.34Å; L21-M82 HydrophobicContact CB-CG 4.09Å; L21-M82 HydrophobicContact CD2-CB 3.68Å; L21-M82 HydrophobicContact CD2-CG 3.54Å; L21-M82 HydrophobicContact CG-CG 4.37Å; L78-M82 WeakPolarHBondContact O-CB 3.33Å; L78-M82 VanDerWaalsContact O-CG 3.28Å; L78-M82 WeakPolarHBondContact O-CG 3.2Å; L78-M82 PolarHBondContact O-N 3.09Å; E79-M82 PolarHBondContact O-N 3.08Å; K80-M82 VanDerWaalsContact C-N 3.3Å; K80-M82 PolarHBondContact O-N 3.25Å; M82-E84 VanDerWaalsContact C-N 3.29Å; M82-E84 PolarHBondContact O-N 3.27Å; M82-W85 HydrophobicContact CE-CE3 4.47Å; M82-W85 HydrophobicContact SD-CD2 4.34Å; M82-W85 HydrophobicContact SD-CE3 3.59Å; M82-W85 VanDerWaalsContact SD-CE3 3.59Å; M82-W85 HydrophobicContact SD-CZ3 3.89Å
83G94.9Very high94.1Very high71 Ų7154.4 Ų54.473%0.73231%0.312SS*.Hα-helixtrans-66.9-28.6171.500000113.7E79 K80E79-G83 PolarHBondContact O-N 3.14Å; K80-G83 PolarHBondContact O-N 3.41Å; K80-G83 VanDerWaalsContact O-N 3.15Å
84E95.7Very high94.2Very high100 Ų10049.1 Ų49.147%0.46729%0.288SS..THydrogen-bonded Turntrans-113.421.8-176.8-63.4172.1-177.700112.7K80 R81 M82 A86 S87 T88K80-E84 PolarHBondContact O-N 3.2Å; R81-E84 CarbonylContact O-C 3.51Å; R81-E84 PolarHBondContact O-N 3.26Å; M82-E84 VanDerWaalsContact C-N 3.29Å; M82-E84 PolarHBondContact O-N 3.27Å; E84-A86 VanDerWaalsContact C-N 3.28Å; E84-A86 PolarHBondContact O-N 2.87Å; E84-A86 VanDerWaalsContact O-N 3.17Å; E84-S87 PolarHBondContact O-N 3.23Å; E84-T88 PolarHBondContact O-N 2.85Å; E84-T88 VanDerWaalsContact O-N 3.17Å
85W94.6Very high94Very high27 Ų2749.2 Ų49.210%0.10229%0.289CS..THydrogen-bonded Turntrans-56.3-39.6-169.6-173.3-94.4000113.5F14 A17 R81 M82 S87 T88 P89 R90 I91F14-W85 HydrophobicContact CD2-CB 4.26Å; F14-W85 AromaticContact CD2-CD1 3.39Å; F14-W85 AromaticContact CD2-CD2 3.87Å; F14-W85 HydrophobicContact CD2-CD2 3.87Å; F14-W85 AromaticContact CD2-CE2 3.88Å; F14-W85 AromaticContact CD2-CG 3.56Å; F14-W85 HydrophobicContact CD2-CG 3.56Å; F14-W85 AromaticContact CD2-NE1 3.56Å; F14-W85 HydrophobicContact CE2-CB 4.14Å; F14-W85 HydrophobicContact CE2-CD2 4.5Å; F14-W85 AromaticContact CE2-CG 3.94Å; F14-W85 HydrophobicContact CE2-CG 3.94Å; A17-W85 HydrophobicContact CB-CE3 4.31Å; A17-W85 HydrophobicContact CB-CH2 3.37Å; A17-W85 HydrophobicContact CB-CZ2 4.12Å; A17-W85 HydrophobicContact CB-CZ3 3.49Å; A17-W85 VanDerWaalsContact CB-CZ3 3.49Å; R81-W85 HydrophobicContact CG-CE3 4.12Å; R81-W85 HydrophobicContact CG-CZ3 4.11Å; R81-W85 WeakPolarHBondContact O-CA 3.39Å; R81-W85 PolarHBondContact O-N 3.12Å; M82-W85 HydrophobicContact CE-CE3 4.47Å; M82-W85 HydrophobicContact SD-CD2 4.34Å; M82-W85 HydrophobicContact SD-CE3 3.59Å; M82-W85 VanDerWaalsContact SD-CE3 3.59Å; M82-W85 HydrophobicContact SD-CZ3 3.89Å; W85-S87 PolarHBondContact O-N 2.78Å; W85-T88 CarbonylContact O-C 3.59Å; W85-T88 PolarHBondContact O-N 3.27Å; W85-P89 HydrophobicContact CD2-CB 4.24Å; W85-P89 HydrophobicContact CG-CB 4.48Å; W85-P89 HydrophobicContact CZ2-CB 4.01Å; W85-P89 WeakPolarHBondContact O-CA 3.42Å; W85-P89 WeakPolarHBondContact O-CB 3.34Å; W85-P89 WeakPolarHBondContact O-CD 3.39Å; W85-R90 WeakPolarHBondContact CZ3-O 3.34Å; W85-I91 HydrophobicContact CH2-CG2 4.04Å; W85-I91 HydrophobicContact CZ3-CG2 3.7Å
86A92.1Very high93.4Very high103 Ų10351.5 Ų51.585%0.85130%0.299SS*.THydrogen-bonded Turntrans-59-29.2179.900000113.2E84E84-A86 VanDerWaalsContact C-N 3.28Å; E84-A86 PolarHBondContact O-N 2.87Å; E84-A86 VanDerWaalsContact O-N 3.17Å
87S92.4Very high92.6Very high102 Ų10254.5 Ų54.571%0.71331%0.307SS*.THydrogen-bonded Turntrans-92.2-30.5179.5-56.90000112.5E84 W85E84-S87 PolarHBondContact O-N 3.23Å; W85-S87 PolarHBondContact O-N 2.78Å
88T92.1Very high91.4Very high48 Ų4852.2 Ų52.229%0.29430%0.295SS..  trans-139.674-174.7-44.90000111R81 E84 W85 R90R81-T88 WeakPolarHBondContact CD-O 3.24Å; E84-T88 PolarHBondContact O-N 2.85Å; E84-T88 VanDerWaalsContact O-N 3.17Å; W85-T88 CarbonylContact O-C 3.59Å; W85-T88 PolarHBondContact O-N 3.27Å; T88-R90 HydrophobicContact CG2-CG 3.72Å; T88-R90 PolarHBondContact O-N 3.49Å
89P92.8Very high90.1Very high71 Ų7153.5 Ų53.546%0.46130%0.303SS..  trans-82.954.7-170.434.5-38000113.4W85W85-P89 HydrophobicContact CD2-CB 4.24Å; W85-P89 HydrophobicContact CG-CB 4.48Å; W85-P89 HydrophobicContact CZ2-CB 4.01Å; W85-P89 WeakPolarHBondContact O-CA 3.42Å; W85-P89 WeakPolarHBondContact O-CB 3.34Å; W85-P89 WeakPolarHBondContact O-CD 3.39Å
90R93.5Very high88.6Confident59 Ų5953.7 Ų53.722%0.22331%0.311CS..  trans-131.1162.6-177.552-179.4-56.3-1717112.2R81 W85 T88 D93 D178 D181R81-R90 WeakPolarHBondContact CD-O 3.49Å; R81-R90 WeakPolarHBondContact CG-O 3.49Å; R81-R90 VanDerWaalsContact NH1-C 3.27Å; R81-R90 PolarHBondContact NH1-O 3.4Å; W85-R90 WeakPolarHBondContact CZ3-O 3.34Å; T88-R90 HydrophobicContact CG2-CG 3.72Å; T88-R90 PolarHBondContact O-N 3.49Å; R90-D93 IonicContact NE-OD1 2.97Å; R90-D178 HydrophobicContact CB-CB 3.73Å; R90-D178 WeakPolarHBondContact CB-OD2 3.44Å; R90-D178 IonicContact CZ-OD1 2.68Å; R90-D178 VanDerWaalsContact CZ-OD1 3.26Å; R90-D178 IonicContact NE-OD1 3.78Å; R90-D178 PolarHBondContact NE-OD1 3.19Å; R90-D178 IonicContact NH2-OD1 3.87Å; R90-D178 PolarHBondContact NH2-OD1 3.17Å; R90-D181 IonicContact CZ-OD2 2.7Å; R90-D181 IonicContact NH2-OD2 2.61Å; R90-D181 PolarHBondContact NH2-OD2 2.96Å
91I93.6Very high87.2Confident4 Ų450.8 Ų50.82%0.02130%0.299CS..  trans-142-14.417255.2171.5000113.5A17 L20 R81 W85 D93 I94 L95 Y168 D178A17-I91 HydrophobicContact CB-CD1 4.46Å; A17-I91 HydrophobicContact CB-CG2 3.89Å; L20-I91 HydrophobicContact CD2-CD1 3.88Å; R81-I91 HydrophobicContact CG-CG2 4.44Å; W85-I91 HydrophobicContact CH2-CG2 4.04Å; W85-I91 HydrophobicContact CZ3-CG2 3.7Å; I91-D93 VanDerWaalsContact C-N 3.31Å; I91-D93 PolarHBondContact O-N 2.94Å; I91-I94 WeakPolarHBondContact O-CB 3.5Å; I91-I94 PolarHBondContact O-N 3.47Å; I91-I94 VanDerWaalsContact O-N 3.1Å; I91-L95 HydrophobicContact CD1-CD1 4.22Å; I91-L95 HydrophobicContact CG1-CD1 4.39Å; I91-L95 WeakPolarHBondContact O-CG 3.43Å; I91-L95 PolarHBondContact O-N 2.97Å; I91-Y168 HydrophobicContact CD1-CD1 4.3Å; I91-Y168 HydrophobicContact CD1-CD2 3.78Å; I91-Y168 HydrophobicContact CD1-CE1 4.34Å; I91-Y168 HydrophobicContact CD1-CE2 3.86Å; I91-Y168 HydrophobicContact CD1-CG 4.04Å; I91-Y168 HydrophobicContact CG1-CD1 4.11Å; I91-Y168 HydrophobicContact CG1-CD2 4.08Å; I91-Y168 HydrophobicContact CG1-CE1 3.69Å; I91-Y168 HydrophobicContact CG1-CE2 3.7Å; I91-Y168 HydrophobicContact CG1-CG 4.3Å; I91-D178 PolarHBondContact N-OD2 3.02Å
92G92Very high85.8Confident0 Ų049.8 Ų49.80%030%0.296CS..Hα-helixtrans-60-37.7-178.200000113.1I94 L95 Q96 D178G92-I94 VanDerWaalsContact C-N 3.34Å; G92-I94 PolarHBondContact O-N 2.74Å; G92-L95 PolarHBondContact O-N 2.9Å; G92-Q96 WeakPolarHBondContact O-CB 3.1Å; G92-Q96 PolarHBondContact O-N 3.05Å; G92-D178 VanDerWaalsContact CA-OD1 3.31Å; G92-D178 WeakPolarHBondContact CA-OD1 3.39Å; G92-D178 WeakPolarHBondContact CA-OD2 3.42Å; G92-D178 VanDerWaalsContact N-CG 3.32Å; G92-D178 PolarHBondContact N-OD1 3.34Å; G92-D178 VanDerWaalsContact N-OD1 3.15Å; G92-D178 PolarHBondContact N-OD2 2.88Å
93D91.3Very high84.3Confident37 Ų3756.8 Ų56.820%0.19833%0.325CS..Hα-helixtrans-62.6-36.5173.560.5-30.6000113.5R81 R90 I91 D178R81-D93 IonicContact CZ-OD1 2.77Å; R81-D93 IonicContact CZ-OD2 2.74Å; R81-D93 IonicContact NH1-OD1 3.03Å; R81-D93 PolarHBondContact NH1-OD1 2.67Å; R81-D93 IonicContact NH1-OD2 3.34Å; R81-D93 IonicContact NH2-OD1 3.15Å; R81-D93 PolarHBondContact NH2-OD1 3.31Å; R81-D93 IonicContact NH2-OD2 3.55Å; R81-D93 PolarHBondContact NH2-OD2 2.72Å; R90-D93 IonicContact NE-OD1 2.97Å; I91-D93 VanDerWaalsContact C-N 3.31Å; I91-D93 PolarHBondContact O-N 2.94Å; D93-D178 PolarHBondContact N-OD1 3.2Å
94I91.8Very high83.3Confident5 Ų555.2 Ų55.23%0.02630%0.299CS..Hα-helixtrans-71.3-46.8175.6-63.7172.1000109.5L74 D77 L78 R81 I91 G92 Q96 K97L74-I94 HydrophobicContact CD1-CG2 3.65Å; D77-I94 HydrophobicContact CB-CD1 4.29Å; D77-I94 HydrophobicContact CB-CG1 4.39Å; D77-I94 HydrophobicContact CB-CG2 3.99Å; L78-I94 HydrophobicContact CD2-CD1 4.31Å; L78-I94 HydrophobicContact CD2-CG2 4.08Å; L78-I94 HydrophobicContact CG-CG2 4.26Å; R81-I94 HydrophobicContact CB-CD1 3.59Å; R81-I94 HydrophobicContact CG-CD1 3.82Å; I91-I94 WeakPolarHBondContact O-CB 3.5Å; I91-I94 PolarHBondContact O-N 3.47Å; I91-I94 VanDerWaalsContact O-N 3.1Å; G92-I94 VanDerWaalsContact C-N 3.34Å; G92-I94 PolarHBondContact O-N 2.74Å; I94-Q96 VanDerWaalsContact C-N 3.26Å; I94-Q96 PolarHBondContact O-N 3.42Å; I94-K97 WeakPolarHBondContact O-CB 3.47Å; I94-K97 PolarHBondContact O-N 2.67Å; I94-K97 VanDerWaalsContact O-N 3.08Å
95L87.2Confident82.4Confident6 Ų650.9 Ų50.93%0.03128%0.279CS..Hα-helixtrans-66.1-29.3179.9-64.4177000112.2L20 I91 G92 K97 L98 L165L20-L95 HydrophobicContact CD2-CD1 4.37Å; L20-L95 HydrophobicContact CD2-CD2 4.03Å; I91-L95 HydrophobicContact CD1-CD1 4.22Å; I91-L95 HydrophobicContact CG1-CD1 4.39Å; I91-L95 WeakPolarHBondContact O-CG 3.43Å; I91-L95 PolarHBondContact O-N 2.97Å; G92-L95 PolarHBondContact O-N 2.9Å; L95-K97 PolarHBondContact O-N 3.35Å; L95-L98 HydrophobicContact CB-CD1 4.15Å; L95-L98 HydrophobicContact CD2-CD1 3.32Å; L95-L98 HydrophobicContact CD2-CG 4.41Å; L95-L98 HydrophobicContact CG-CD1 4.33Å; L95-L98 WeakPolarHBondContact O-CB 3.4Å; L95-L98 WeakPolarHBondContact O-CG 3.37Å; L95-L98 PolarHBondContact O-N 3Å; L95-L165 HydrophobicContact CD1-CD1 3.67Å; L95-L165 HydrophobicContact CD1-CD2 4.43Å
96Q84.1Confident81.4Confident69 Ų6951.7 Ų51.732%0.32229%0.292SS..Hα-helixtrans-62.5-30.3174.7-170.6-179.473.200111.6G92 I94 L98 T99 D181 S185G92-Q96 WeakPolarHBondContact O-CB 3.1Å; G92-Q96 PolarHBondContact O-N 3.05Å; I94-Q96 VanDerWaalsContact C-N 3.26Å; I94-Q96 PolarHBondContact O-N 3.42Å; Q96-L98 PolarHBondContact O-N 2.53Å; Q96-T99 WeakPolarHBondContact O-CB 3.38Å; Q96-T99 PolarHBondContact O-N 3.46Å; Q96-T99 PolarHBondContact O-OG1 3.07Å; Q96-D181 PolarHBondContact NE2-OD1 2.68Å; Q96-S185 WeakPolarHBondContact CA-OG 3.34Å; Q96-S185 PolarHBondContact N-OG 3.45Å; Q96-S185 VanDerWaalsContact N-OG 3.08Å
97K79.8Confident80.7Confident114 Ų11452.1 Ų52.150%0.49628%0.276SS..THydrogen-bonded Turntrans-69.4-17.5173.2-56.2178.4-167.8172.40113.2D77 I94 L95 T99 P100 F101D77-K97 IonicContact OD2-NZ 2.79Å; D77-K97 PolarHBondContact OD2-NZ 3.42Å; I94-K97 WeakPolarHBondContact O-CB 3.47Å; I94-K97 PolarHBondContact O-N 2.67Å; I94-K97 VanDerWaalsContact O-N 3.08Å; L95-K97 PolarHBondContact O-N 3.35Å; K97-T99 PolarHBondContact O-N 2.87Å; K97-P100 VanDerWaalsContact O-CD 3.29Å; K97-P100 WeakPolarHBondContact O-CD 3.44Å; K97-F101 WeakPolarHBondContact O-CD2 3.38Å; K97-F101 VanDerWaalsContact O-CE2 3.25Å; K97-F101 WeakPolarHBondContact O-CE2 3.45Å
98L71Confident80.2Confident6 Ų647.5 Ų47.53%0.03124%0.243CC..THydrogen-bonded Turntrans-67.3-28.1173.2-67.3169.1000112.6F69 L74 L95 Q96 F101 L102F69-L98 HydrophobicContact CE1-CD2 3.22Å; F69-L98 HydrophobicContact CZ-CD2 3.31Å; F69-L98 HydrophobicContact CZ-CG 4.3Å; L74-L98 HydrophobicContact CD1-CD2 3.89Å; L74-L98 HydrophobicContact CD1-CG 4.2Å; L74-L98 HydrophobicContact CD2-CD1 4.45Å; L74-L98 HydrophobicContact CD2-CD2 3.43Å; L74-L98 VanDerWaalsContact CD2-CD2 3.43Å; L74-L98 HydrophobicContact CD2-CG 4.39Å; L74-L98 HydrophobicContact CG-CD2 4.15Å; L95-L98 HydrophobicContact CB-CD1 4.15Å; L95-L98 HydrophobicContact CD2-CD1 3.32Å; L95-L98 HydrophobicContact CD2-CG 4.41Å; L95-L98 HydrophobicContact CG-CD1 4.33Å; L95-L98 WeakPolarHBondContact O-CB 3.4Å; L95-L98 WeakPolarHBondContact O-CG 3.37Å; L95-L98 PolarHBondContact O-N 3Å; Q96-L98 PolarHBondContact O-N 2.53Å; L98-F101 WeakPolarHBondContact O-CA 3.45Å; L98-F101 WeakPolarHBondContact O-CB 3.28Å; L98-F101 PolarHBondContact O-N 3.36Å; L98-L102 PolarHBondContact O-N 2.82Å
99T66.9Low79.5Confident29 Ų2946.5 Ų46.518%0.17824%0.236CC..G310 helixtrans-51.5-47.2-168.2-55.90000114.5Q96 K97 F101 I188Q96-T99 WeakPolarHBondContact O-CB 3.38Å; Q96-T99 PolarHBondContact O-N 3.46Å; Q96-T99 PolarHBondContact O-OG1 3.07Å; K97-T99 PolarHBondContact O-N 2.87Å; T99-F101 PolarHBondContact O-N 3.02Å; T99-I188 HydrophobicContact CG2-CB 3.78Å; T99-I188 HydrophobicContact CG2-CD1 3.09Å; T99-I188 HydrophobicContact CG2-CG1 3.94Å; T99-I188 HydrophobicContact CG2-CG2 3.48Å; T99-I188 VanDerWaalsContact CG2-CG2 3.48Å
100P65.2Low78.8Confident87 Ų8752 Ų5257%0.56525%0.253SS*.G310 helixtrans-67.6-23.5178.7-19.135.3000113.3K97K97-P100 VanDerWaalsContact O-CD 3.29Å; K97-P100 WeakPolarHBondContact O-CD 3.44Å
101F68.3Low78.3Confident70 Ų7050.4 Ų50.431%0.30725%0.249SC..G310 helixtrans-88.5-16.6-173.5-61.1-79.5000113.3F69 K97 L98 T99 K103 M104F69-F101 HydrophobicContact CB-CD1 4.37Å; F69-F101 HydrophobicContact CD1-CB 4.26Å; F69-F101 HydrophobicContact CD1-CG 4.34Å; F69-F101 HydrophobicContact CD2-CB 4.29Å; F69-F101 AromaticContact CD2-CD1 3.53Å; F69-F101 HydrophobicContact CD2-CD1 3.53Å; F69-F101 AromaticContact CD2-CD2 3.56Å; F69-F101 HydrophobicContact CD2-CD2 3.56Å; F69-F101 AromaticContact CD2-CE1 3.58Å; F69-F101 HydrophobicContact CD2-CE1 3.58Å; F69-F101 AromaticContact CD2-CE2 3.63Å; F69-F101 HydrophobicContact CD2-CE2 3.63Å; F69-F101 AromaticContact CD2-CG 3.51Å; F69-F101 HydrophobicContact CD2-CG 3.51Å; F69-F101 AromaticContact CD2-CZ 3.62Å; F69-F101 HydrophobicContact CD2-CZ 3.62Å; F69-F101 HydrophobicContact CE1-CB 4.27Å; F69-F101 HydrophobicContact CE1-CD2 4.47Å; F69-F101 HydrophobicContact CE1-CG 4.4Å; F69-F101 HydrophobicContact CE2-CB 4.28Å; F69-F101 HydrophobicContact CE2-CD1 4.05Å; F69-F101 AromaticContact CE2-CD2 3.14Å; F69-F101 HydrophobicContact CE2-CD2 3.14Å; F69-F101 HydrophobicContact CE2-CE1 4.13Å; F69-F101 AromaticContact CE2-CE2 3.27Å; F69-F101 HydrophobicContact CE2-CE2 3.27Å; F69-F101 AromaticContact CE2-CG 3.56Å; F69-F101 HydrophobicContact CE2-CG 3.56Å; F69-F101 AromaticContact CE2-CZ 3.76Å; F69-F101 HydrophobicContact CE2-CZ 3.76Å; F69-F101 HydrophobicContact CG-CB 4.28Å; F69-F101 AromaticContact CG-CD1 3.92Å; F69-F101 HydrophobicContact CG-CD1 3.92Å; F69-F101 HydrophobicContact CG-CD2 4.37Å; F69-F101 HydrophobicContact CG-CE1 4.32Å; F69-F101 AromaticContact CG-CG 3.92Å; F69-F101 HydrophobicContact CG-CG 3.92Å; F69-F101 HydrophobicContact CZ-CB 4.27Å; F69-F101 AromaticContact CZ-CD2 3.67Å; F69-F101 HydrophobicContact CZ-CD2 3.67Å; F69-F101 HydrophobicContact CZ-CE2 4.19Å; F69-F101 HydrophobicContact CZ-CG 4.02Å; K97-F101 WeakPolarHBondContact O-CD2 3.38Å; K97-F101 VanDerWaalsContact O-CE2 3.25Å; K97-F101 WeakPolarHBondContact O-CE2 3.45Å; L98-F101 WeakPolarHBondContact O-CA 3.45Å; L98-F101 WeakPolarHBondContact O-CB 3.28Å; L98-F101 PolarHBondContact O-N 3.36Å; T99-F101 PolarHBondContact O-N 3.02Å; F101-K103 PolarHBondContact O-N 3.02Å; F101-K103 VanDerWaalsContact O-N 3.16Å; F101-M104 HydrophobicContact CB-CE 3.81Å; F101-M104 HydrophobicContact CD1-CE 3.54Å; F101-M104 HydrophobicContact CD1-SD 4.13Å; F101-M104 HydrophobicContact CG-CE 4.13Å; F101-M104 VanDerWaalsContact O-CB 3.27Å; F101-M104 WeakPolarHBondContact O-CB 3.46Å; F101-M104 PolarHBondContact O-N 3.45Å
102L65.6Low77.7Confident10 Ų1051.3 Ų51.35%0.05225%0.253CS..Hα-helixtrans-60-24.7173.5-69.9167.7000112.9L98 M104 Y105 A106 V158 I188 I189 A192L98-L102 PolarHBondContact O-N 2.82Å; L102-M104 PolarHBondContact O-N 3.49Å; L102-Y105 WeakPolarHBondContact O-CB 3.28Å; L102-Y105 PolarHBondContact O-N 3.48Å; L102-A106 PolarHBondContact O-N 2.85Å; L102-V158 HydrophobicContact CD2-CG1 4.16Å; L102-V158 HydrophobicContact CD2-CG2 4.34Å; L102-I188 HydrophobicContact CD1-CG2 3.99Å; L102-I189 HydrophobicContact CD1-CB 4.33Å; L102-I189 HydrophobicContact CD1-CG1 3.64Å; L102-I189 HydrophobicContact CD2-CG1 4.37Å; L102-A192 HydrophobicContact CB-CB 4.16Å; L102-A192 HydrophobicContact CD1-CB 4.5Å; L102-A192 HydrophobicContact CD2-CB 4.5Å
103K66Low76.8Confident174 Ų17457.1 Ų57.176%0.75728%0.284SS*.Hα-helixtrans-61.8-32170.9-71.1-177.4178.9177.70112.6F101 Y105 A106 E107F101-K103 PolarHBondContact O-N 3.02Å; F101-K103 VanDerWaalsContact O-N 3.16Å; K103-Y105 VanDerWaalsContact C-N 3.34Å; K103-A106 PolarHBondContact O-N 3.25Å; K103-E107 PolarHBondContact O-N 3.47Å
104M73.8Confident76.5Confident39 Ų3960.2 Ų60.219%0.19230%0.296CS..Hα-helixtrans-68.5-35.8175.9-54.9-171.6-50.800111.1N62 F69 F101 L102 A106 E107 Y108N62-M104 PolarHBondContact ND2-O 3.22Å; F69-M104 HydrophobicContact CB-CE 4.13Å; F101-M104 HydrophobicContact CB-CE 3.81Å; F101-M104 HydrophobicContact CD1-CE 3.54Å; F101-M104 HydrophobicContact CD1-SD 4.13Å; F101-M104 HydrophobicContact CG-CE 4.13Å; F101-M104 VanDerWaalsContact O-CB 3.27Å; F101-M104 WeakPolarHBondContact O-CB 3.46Å; F101-M104 PolarHBondContact O-N 3.45Å; L102-M104 PolarHBondContact O-N 3.49Å; M104-A106 VanDerWaalsContact C-N 3.35Å; M104-A106 PolarHBondContact O-N 3.08Å; M104-E107 PolarHBondContact O-N 2.82Å; M104-Y108 PolarHBondContact O-N 3.4Å; M104-Y108 VanDerWaalsContact O-N 3.1Å
105Y76Confident76.2Confident8 Ų860.1 Ų60.13%0.03130%0.295CS..Hα-helixtrans-66-37174.8-81.4-89.7000112.5Y27 I66 H70 L102 K103 E107 Y108 V109 P154 V158Y27-Y105 WeakPolarHBondContact CE1-OH 3.48Å; Y27-Y105 PolarHBondContact OH-OH 2.85Å; I66-Y105 HydrophobicContact CD1-CD1 4.33Å; I66-Y105 HydrophobicContact CD1-CE1 4.32Å; I66-Y105 HydrophobicContact CG2-CE1 4.16Å; I66-Y105 HydrophobicContact CG2-CE2 4.12Å; I66-Y105 WeakPolarHBondContact CG2-OH 3.17Å; H70-Y105 PolarHBondContact CD2-OH 2.85Å; H70-Y105 VanDerWaalsContact CD2-OH 3.31Å; H70-Y105 PolarHBondContact CE1-OH 3.28Å; H70-Y105 AromaticContact NE2-CE2 3.6Å; H70-Y105 AromaticContact NE2-CZ 3.55Å; H70-Y105 PolarHBondContact NE2-OH 3.37Å; L102-Y105 WeakPolarHBondContact O-CB 3.28Å; L102-Y105 PolarHBondContact O-N 3.48Å; K103-Y105 VanDerWaalsContact C-N 3.34Å; Y105-E107 VanDerWaalsContact C-N 3.28Å; Y105-E107 PolarHBondContact O-N 2.91Å; Y105-Y108 PolarHBondContact O-N 3.37Å; Y105-V109 WeakPolarHBondContact O-CB 3.41Å; Y105-V109 VanDerWaalsContact O-CG2 3.25Å; Y105-V109 WeakPolarHBondContact O-CG2 3.36Å; Y105-V109 PolarHBondContact O-N 3.02Å; Y105-P154 HydrophobicContact CD1-CB 4.48Å; Y105-P154 WeakPolarHBondContact CD1-O 3.08Å; Y105-P154 HydrophobicContact CE1-CB 3.95Å; Y105-P154 VanDerWaalsContact CE1-O 3.24Å; Y105-P154 WeakPolarHBondContact CE1-O 3Å; Y105-V158 HydrophobicContact CD1-CG2 3.52Å; Y105-V158 HydrophobicContact CD2-CG2 4.26Å; Y105-V158 HydrophobicContact CE1-CG2 4Å; Y105-V158 HydrophobicContact CG-CG2 3.66Å
106A74.1Confident75.8Confident45 Ų4561.8 Ų61.837%0.37230%0.303SS..Hα-helixtrans-60.4-39.1175.800000112L102 K103 M104 K110L102-A106 PolarHBondContact O-N 2.85Å; K103-A106 PolarHBondContact O-N 3.25Å; M104-A106 VanDerWaalsContact C-N 3.35Å; M104-A106 PolarHBondContact O-N 3.08Å; A106-K110 WeakPolarHBondContact O-CB 3.4Å; A106-K110 PolarHBondContact O-N 3.32Å
107E78.4Confident75.6Confident112 Ų11265.1 Ų65.152%0.52332%0.319SS..Hα-helixtrans-65.3-46.5174178.2-177.9-167.700112N62 K103 M104 Y105 K110 N111N62-E107 PolarHBondContact ND2-OE2 3.39Å; K103-E107 PolarHBondContact O-N 3.47Å; M104-E107 PolarHBondContact O-N 2.82Å; Y105-E107 VanDerWaalsContact C-N 3.28Å; Y105-E107 PolarHBondContact O-N 2.91Å; E107-K110 PolarHBondContact O-N 2.7Å; E107-N111 WeakPolarHBondContact O-CB 3.41Å; E107-N111 PolarHBondContact O-N 2.99Å; E107-N111 VanDerWaalsContact O-N 3.14Å
108Y81.5Confident75.9Confident5 Ų561 Ų612%0.0230%0.302CS..Hα-helixtrans-58.9-50.8177.5-171.3-92.3000111.8N62 I63 I66 M104 Y105 N111 F112 M151 P154 V155N62-Y108 WeakPolarHBondContact OD1-CB 3.22Å; I63-Y108 HydrophobicContact CB-CE2 4.15Å; I63-Y108 HydrophobicContact CD1-CE2 3.9Å; I66-Y108 HydrophobicContact CD1-CD2 4Å; I66-Y108 HydrophobicContact CD1-CG 3.95Å; M104-Y108 PolarHBondContact O-N 3.4Å; M104-Y108 VanDerWaalsContact O-N 3.1Å; Y105-Y108 PolarHBondContact O-N 3.37Å; Y108-N111 PolarHBondContact O-N 3.34Å; Y108-F112 HydrophobicContact CE1-CD2 4.02Å; Y108-F112 PolarHBondContact O-N 3.25Å; Y108-F112 VanDerWaalsContact O-N 3.09Å; Y108-M151 WeakPolarHBondContact CE1-O 3.34Å; Y108-M151 PolarHBondContact OH-O 3.38Å; Y108-P154 HydrophobicContact CD1-CB 4.05Å; Y108-P154 HydrophobicContact CE1-CB 3.81Å; Y108-P154 HydrophobicContact CE1-CG 4Å; Y108-V155 HydrophobicContact CD1-CG2 4.35Å; Y108-V155 HydrophobicContact CE1-CG2 4.18Å
109V77.5Confident76.4Confident26 Ų2660.8 Ų60.816%0.15830%0.301CS..Hα-helixtrans-63.6-44.5-178.8173.80000111.1Y105 N111 F112 V155Y105-V109 WeakPolarHBondContact O-CB 3.41Å; Y105-V109 VanDerWaalsContact O-CG2 3.25Å; Y105-V109 WeakPolarHBondContact O-CG2 3.36Å; Y105-V109 PolarHBondContact O-N 3.02Å; V109-N111 PolarHBondContact O-N 2.9Å; V109-F112 VanDerWaalsContact O-CB 3.22Å; V109-F112 WeakPolarHBondContact O-CB 3.34Å; V109-F112 PolarHBondContact O-N 2.61Å; V109-F112 VanDerWaalsContact O-N 3.08Å; V109-V155 HydrophobicContact CG2-CG1 4.27Å; V109-V155 HydrophobicContact CG2-CG2 4.21Å
110K78.3Confident76.8Confident186 Ų18663.1 Ų63.181%0.80931%0.309SS*.Hα-helixtrans-59.3-35.6178179.7-179.4176.4-176.50112.3A106 E107A106-K110 WeakPolarHBondContact O-CB 3.4Å; A106-K110 PolarHBondContact O-N 3.32Å; E107-K110 PolarHBondContact O-N 2.7Å
111N82.2Confident77.7Confident27 Ų2763.5 Ų63.514%0.14430%0.303CS..Hα-helixtrans-87-6.9-179.7-173.467.5000113.2N58 E107 Y108 V109 D113 K114 A115N58-N111 PolarHBondContact O-ND2 3.01Å; E107-N111 WeakPolarHBondContact O-CB 3.41Å; E107-N111 PolarHBondContact O-N 2.99Å; E107-N111 VanDerWaalsContact O-N 3.14Å; Y108-N111 PolarHBondContact O-N 3.34Å; V109-N111 PolarHBondContact O-N 2.9Å; N111-D113 PolarHBondContact O-N 3.3Å; N111-K114 PolarHBondContact O-N 2.67Å; N111-A115 WeakPolarHBondContact O-CB 3.22Å; N111-A115 PolarHBondContact O-N 3.19Å
112F80.1Confident78.8Confident22 Ų2261.3 Ų61.310%0.09629%0.293CS..Hα-helixtrans-60.1-47.2-169.7-172.7-97.8000113.5Y108 V109 K114 A115 M116 M151 L152 V155Y108-F112 HydrophobicContact CE1-CD2 4.02Å; Y108-F112 PolarHBondContact O-N 3.25Å; Y108-F112 VanDerWaalsContact O-N 3.09Å; V109-F112 VanDerWaalsContact O-CB 3.22Å; V109-F112 WeakPolarHBondContact O-CB 3.34Å; V109-F112 PolarHBondContact O-N 2.61Å; V109-F112 VanDerWaalsContact O-N 3.08Å; F112-K114 VanDerWaalsContact C-N 3.33Å; F112-K114 PolarHBondContact O-N 3.37Å; F112-A115 WeakPolarHBondContact O-CB 3.37Å; F112-A115 PolarHBondContact O-N 3.16Å; F112-A115 VanDerWaalsContact O-N 3.16Å; F112-M116 HydrophobicContact CD1-CG 4.11Å; F112-M116 HydrophobicContact CD2-CE 4.32Å; F112-M116 HydrophobicContact CE1-CE 4.44Å; F112-M116 HydrophobicContact CE1-CG 3.64Å; F112-M116 HydrophobicContact CE1-SD 4.15Å; F112-M116 HydrophobicContact CE2-CE 3.65Å; F112-M116 HydrophobicContact CE2-CG 4.47Å; F112-M116 HydrophobicContact CE2-SD 4.31Å; F112-M116 HydrophobicContact CZ-CE 3.71Å; F112-M116 HydrophobicContact CZ-CG 3.84Å; F112-M116 HydrophobicContact CZ-SD 3.74Å; F112-M116 WeakPolarHBondContact O-CG 3.46Å; F112-M116 PolarHBondContact O-N 2.92Å; F112-M151 HydrophobicContact CE2-CB 3.99Å; F112-M151 VanDerWaalsContact CE2-O 3.24Å; F112-M151 WeakPolarHBondContact CE2-O 3.49Å; F112-L152 HydrophobicContact CE1-CD2 3.55Å; F112-L152 HydrophobicContact CE1-CG 4.46Å; F112-L152 HydrophobicContact CE2-CD2 4.23Å; F112-L152 HydrophobicContact CZ-CD2 3.3Å; F112-L152 HydrophobicContact CZ-CG 3.78Å; F112-V155 HydrophobicContact CD2-CG2 4.02Å; F112-V155 HydrophobicContact CE2-CG2 4.32Å; F112-V155 HydrophobicContact CG-CG2 4.3Å
113D74.9Confident79.6Confident123 Ų12362.1 Ų62.166%0.65830%0.298SS*.Hα-helixtrans-61-43.7179.7-69.1-29.3000111.5N111 M116 E117N111-D113 PolarHBondContact O-N 3.3Å; D113-M116 PolarHBondContact O-N 2.9Å; D113-E117 PolarHBondContact O-N 3.4Å
114K83.4Confident80.2Confident102 Ų10258.5 Ų58.544%0.44329%0.287SS..Hα-helixtrans-65-39175.8-175-173.5175.5-160.80111.7N58 N111 F112 M116 E117 L118N58-K114 PolarHBondContact OD1-NZ 3.04Å; N111-K114 PolarHBondContact O-N 2.67Å; F112-K114 VanDerWaalsContact C-N 3.33Å; F112-K114 PolarHBondContact O-N 3.37Å; K114-M116 VanDerWaalsContact C-N 3.35Å; K114-E117 PolarHBondContact O-N 3.29Å; K114-L118 HydrophobicContact CG-CD1 4.18Å; K114-L118 WeakPolarHBondContact O-CB 3.48Å; K114-L118 WeakPolarHBondContact O-CG 3.36Å; K114-L118 PolarHBondContact O-N 2.91Å
115A85.3Confident81Confident2 Ų264.8 Ų64.82%0.01731%0.309CS..Hα-helixtrans-62.9-41.2175.500000111.6I59 N111 F112 L119 M151I59-A115 VanDerWaalsContact O-CB 3.27Å; I59-A115 WeakPolarHBondContact O-CB 3.37Å; N111-A115 WeakPolarHBondContact O-CB 3.22Å; N111-A115 PolarHBondContact O-N 3.19Å; F112-A115 WeakPolarHBondContact O-CB 3.37Å; F112-A115 PolarHBondContact O-N 3.16Å; F112-A115 VanDerWaalsContact O-N 3.16Å; A115-L119 WeakPolarHBondContact O-CB 3.44Å; A115-L119 PolarHBondContact O-N 3.31Å; A115-M151 HydrophobicContact CB-CE 4.16Å
116M80.3Confident81.8Confident41 Ų4164.9 Ų64.920%0.20231%0.311CS..Hα-helixtrans-64.4-41.4175.4-67.5-59.2102.700112.1F112 D113 K114 L119 K120 Q148 M151F112-M116 HydrophobicContact CD1-CG 4.11Å; F112-M116 HydrophobicContact CD2-CE 4.32Å; F112-M116 HydrophobicContact CE1-CE 4.44Å; F112-M116 HydrophobicContact CE1-CG 3.64Å; F112-M116 HydrophobicContact CE1-SD 4.15Å; F112-M116 HydrophobicContact CE2-CE 3.65Å; F112-M116 HydrophobicContact CE2-CG 4.47Å; F112-M116 HydrophobicContact CE2-SD 4.31Å; F112-M116 HydrophobicContact CZ-CE 3.71Å; F112-M116 HydrophobicContact CZ-CG 3.84Å; F112-M116 HydrophobicContact CZ-SD 3.74Å; F112-M116 WeakPolarHBondContact O-CG 3.46Å; F112-M116 PolarHBondContact O-N 2.92Å; D113-M116 PolarHBondContact O-N 2.9Å; K114-M116 VanDerWaalsContact C-N 3.35Å; M116-L119 HydrophobicContact CE-CD2 4.38Å; M116-L119 PolarHBondContact O-N 3.16Å; M116-K120 PolarHBondContact O-N 3.32Å; M116-Q148 HydrophobicContact SD-CB 4.01Å; M116-Q148 HydrophobicContact SD-CG 3.86Å; M116-M151 HydrophobicContact CE-CB 3.92Å; M116-M151 HydrophobicContact CE-CE 3.44Å; M116-M151 VanDerWaalsContact CE-CE 3.44Å; M116-M151 HydrophobicContact CE-CG 4.39Å; M116-M151 HydrophobicContact CE-SD 3.58Å; M116-M151 VanDerWaalsContact CE-SD 3.58Å
117E78.3Confident82.7Confident140 Ų14067.4 Ų67.465%0.65432%0.323SS*.Hα-helixtrans-64.8-47.3176.1-173.6178.4-169.100111.9D113 K114 L119 K120 Q121D113-E117 PolarHBondContact O-N 3.4Å; K114-E117 PolarHBondContact O-N 3.29Å; E117-L119 VanDerWaalsContact C-N 3.33Å; E117-L119 PolarHBondContact O-N 3.24Å; E117-K120 PolarHBondContact O-N 2.99Å; E117-Q121 WeakPolarHBondContact O-CB 3.33Å; E117-Q121 PolarHBondContact O-N 2.96Å
118L87.7Confident83.4Confident27 Ų2764.7 Ų64.714%0.14132%0.315CS..Hα-helixtrans-62-41.5176.1-76.3172.5000111.7N58 I59 K114 Q121 W122N58-L118 HydrophobicContact CB-CD1 3.42Å; N58-L118 VanDerWaalsContact CB-CD1 3.42Å; I59-L118 HydrophobicContact CD1-CB 4.17Å; I59-L118 HydrophobicContact CG1-CB 3.71Å; K114-L118 HydrophobicContact CG-CD1 4.18Å; K114-L118 WeakPolarHBondContact O-CB 3.48Å; K114-L118 WeakPolarHBondContact O-CG 3.36Å; K114-L118 PolarHBondContact O-N 2.91Å; L118-Q121 PolarHBondContact O-N 3.33Å; L118-W122 WeakPolarHBondContact O-CB 3.17Å; L118-W122 VanDerWaalsContact O-CD1 3.27Å; L118-W122 PolarHBondContact O-N 2.94Å
119L81.2Confident84.1Confident1 Ų164.5 Ų64.51%0.00532%0.315CS..Hα-helixtrans-60.6-45.9176.4179.864.3000111I59 A115 M116 E117 T123 F129 I133 L147 Q148 M151I59-L119 HydrophobicContact CD1-CB 4.18Å; I59-L119 HydrophobicContact CD1-CD1 4.32Å; I59-L119 HydrophobicContact CG1-CB 4.38Å; I59-L119 HydrophobicContact CG2-CB 4.31Å; I59-L119 HydrophobicContact CG2-CD1 4.26Å; A115-L119 WeakPolarHBondContact O-CB 3.44Å; A115-L119 PolarHBondContact O-N 3.31Å; M116-L119 HydrophobicContact CE-CD2 4.38Å; M116-L119 PolarHBondContact O-N 3.16Å; E117-L119 VanDerWaalsContact C-N 3.33Å; E117-L119 PolarHBondContact O-N 3.24Å; L119-T123 VanDerWaalsContact O-CB 3.23Å; L119-T123 WeakPolarHBondContact O-CB 3.13Å; L119-T123 PolarHBondContact O-N 3.33Å; L119-T123 PolarHBondContact O-OG1 3.34Å; L119-F129 HydrophobicContact CD1-CE1 3.96Å; L119-F129 HydrophobicContact CD1-CZ 4.21Å; L119-I133 HydrophobicContact CD1-CD1 3.59Å; L119-L147 HydrophobicContact CD1-CD2 3.77Å; L119-L147 HydrophobicContact CD2-CD2 4.14Å; L119-L147 HydrophobicContact CD2-CG 4.19Å; L119-Q148 HydrophobicContact CD2-CG 3.76Å; L119-M151 HydrophobicContact CD2-SD 4.01Å
120K73.9Confident84.8Confident78 Ų7867.1 Ų67.134%0.33932%0.324SS..Hα-helixtrans-59.9-55.5174.4-175.8-177.5173.4-1720110.5M116 E117 W122 T123 D124 T538 E540M116-K120 PolarHBondContact O-N 3.32Å; E117-K120 PolarHBondContact O-N 2.99Å; K120-W122 VanDerWaalsContact C-N 3.32Å; K120-W122 PolarHBondContact O-N 3.37Å; K120-T123 PolarHBondContact O-N 3.49Å; K120-D124 PolarHBondContact O-N 3.47Å; K120-T538 PolarHBondContact NZ-O 3.22Å; K120-E540 VanDerWaalsContact NZ-CG 3.34Å; K120-E540 IonicContact NZ-OE1 2.62Å; K120-E540 PolarHBondContact NZ-OE1 2.77Å
121Q85.6Confident85.6Confident96 Ų9660.8 Ų60.845%0.44931%0.306SS..Hα-helixtrans-54.2-45.4-177.7-174.9-175.542.500112.8E117 L118 D124 R125E117-Q121 WeakPolarHBondContact O-CB 3.33Å; E117-Q121 PolarHBondContact O-N 2.96Å; L118-Q121 PolarHBondContact O-N 3.33Å; Q121-D124 PolarHBondContact O-N 3.5Å; Q121-R125 WeakPolarHBondContact O-CB 3.4Å; Q121-R125 PolarHBondContact O-N 3.39Å
122W90.9Very high86.3Confident24 Ų2460 Ų609%0.09130%0.302CS..Hα-helixtrans-80.6-26.4-177.4-78.789.6000113.6F51 P52 V55 L118 K120 D124 S126 F129F51-W122 HydrophobicContact CB-CE3 3.8Å; F51-W122 HydrophobicContact CB-CH2 4.39Å; F51-W122 HydrophobicContact CB-CZ3 3.54Å; P52-W122 HydrophobicContact CG-CH2 3.67Å; P52-W122 HydrophobicContact CG-CZ2 3.96Å; V55-W122 HydrophobicContact CB-CD2 4.4Å; V55-W122 HydrophobicContact CB-CG 4.5Å; V55-W122 HydrophobicContact CG1-CB 4.11Å; V55-W122 HydrophobicContact CG1-CD2 3.74Å; V55-W122 HydrophobicContact CG1-CG 3.4Å; V55-W122 VanDerWaalsContact CG1-CG 3.4Å; V55-W122 HydrophobicContact CG2-CD2 3.99Å; V55-W122 HydrophobicContact CG2-CG 4.41Å; V55-W122 HydrophobicContact CG2-CH2 4.31Å; V55-W122 HydrophobicContact CG2-CZ2 3.46Å; V55-W122 VanDerWaalsContact CG2-CZ2 3.46Å; V55-W122 VanDerWaalsContact CG2-NE1 3.29Å; L118-W122 WeakPolarHBondContact O-CB 3.17Å; L118-W122 VanDerWaalsContact O-CD1 3.27Å; L118-W122 PolarHBondContact O-N 2.94Å; K120-W122 VanDerWaalsContact C-N 3.32Å; K120-W122 PolarHBondContact O-N 3.37Å; W122-D124 VanDerWaalsContact C-N 3.29Å; W122-S126 WeakPolarHBondContact O-CB 3.24Å; W122-S126 PolarHBondContact O-N 3.16Å; W122-F129 HydrophobicContact CB-CD1 3.95Å; W122-F129 HydrophobicContact CB-CD2 4Å; W122-F129 HydrophobicContact CB-CE1 3.8Å; W122-F129 HydrophobicContact CB-CE2 3.87Å; W122-F129 HydrophobicContact CB-CG 4.07Å; W122-F129 HydrophobicContact CB-CZ 3.8Å
123T83.1Confident86.8Confident27 Ų2759.3 Ų59.317%0.16630%0.299CS..Hα-helixtrans-64.1-37.3167.5-58.40000110.9L119 K120 K130L119-T123 VanDerWaalsContact O-CB 3.23Å; L119-T123 WeakPolarHBondContact O-CB 3.13Å; L119-T123 PolarHBondContact O-N 3.33Å; L119-T123 PolarHBondContact O-OG1 3.34Å; K120-T123 PolarHBondContact O-N 3.49Å; T123-K130 HydrophobicContact CG2-CB 3.97Å; T123-K130 HydrophobicContact CG2-CD 4Å; T123-K130 HydrophobicContact CG2-CG 3.77Å; T123-K130 WeakPolarHBondContact O-CB 3.16Å
124D78.9Confident87.6Confident98 Ų9858.5 Ų58.552%0.52429%0.291SS..Hα-helixtrans-80-37.5178.7-64.1-28.7000112.3K120 Q121 W122K120-D124 PolarHBondContact O-N 3.47Å; Q121-D124 PolarHBondContact O-N 3.5Å; W122-D124 VanDerWaalsContact C-N 3.29Å
125R89.2Confident88.1Confident171 Ų17158.5 Ų58.565%0.64529%0.293SS*.Hα-helixtrans-80.7-31.6-175-175.1178.8179.4-1771.2114.2Q121Q121-R125 WeakPolarHBondContact O-CB 3.4Å; Q121-R125 PolarHBondContact O-N 3.39Å
126S93.9Very high88.4Confident10 Ų1058.7 Ų58.77%0.0729%0.293CS..  trans-123.6103.7-171.1179.10000111.3W122 F129 K130W122-S126 WeakPolarHBondContact O-CB 3.24Å; W122-S126 PolarHBondContact O-N 3.16Å; S126-F129 VanDerWaalsContact O-CB 3.32Å; S126-F129 WeakPolarHBondContact O-CB 3.44Å; S126-F129 PolarHBondContact O-N 2.95Å; S126-F129 VanDerWaalsContact O-N 3.1Å; S126-F129 WeakPolarHBondContact OG-CB 3.42Å; S126-F129 PolarHBondContact OG-N 3.41Å; S126-K130 PolarHBondContact O-N 3.26Å
127P92.3Very high88.7Confident98 Ų9858.9 Ų58.964%0.63629%0.294SS*.Hα-helixtrans-56.1-40.2175.9-2331.7000114F129 K130 A131P127-F129 PolarHBondContact O-N 2.72Å; P127-K130 PolarHBondContact O-N 2.89Å; P127-A131 WeakPolarHBondContact O-CB 3.43Å; P127-A131 PolarHBondContact O-N 2.88Å
128P93.4Very high89Confident55 Ų5556.9 Ų56.936%0.35730%0.296SS..Hα-helixtrans-62.4-39.6173.4-24.835.4000113.6T50 A131 I132T50-P128 HydrophobicContact CG2-CB 3.35Å; T50-P128 HydrophobicContact CG2-CG 3.6Å; P128-A131 PolarHBondContact O-N 3.39Å; P128-I132 WeakPolarHBondContact O-CG1 3.26Å; P128-I132 PolarHBondContact O-N 2.99Å
129F95Very high89.2Confident1 Ų159.2 Ų59.20%0.00431%0.306CS..Hα-helixtrans-61.1-47.1176.1-174-78000110.9M42 F51 V55 I59 L119 W122 S126 P127 I133M42-F129 HydrophobicContact CE-CB 4.34Å; M42-F129 HydrophobicContact CE-CD1 3.68Å; M42-F129 HydrophobicContact CE-CD2 3.12Å; M42-F129 HydrophobicContact CE-CE1 3.58Å; M42-F129 HydrophobicContact CE-CE2 3.01Å; M42-F129 HydrophobicContact CE-CG 3.43Å; M42-F129 VanDerWaalsContact CE-CG 3.43Å; M42-F129 HydrophobicContact CE-CZ 3.22Å; F51-F129 HydrophobicContact CD1-CB 3.82Å; F51-F129 AromaticContact CD1-CD2 3.86Å; F51-F129 HydrophobicContact CD1-CD2 3.86Å; F51-F129 HydrophobicContact CD1-CG 4.35Å; F51-F129 AromaticContact CD2-CD2 3.72Å; F51-F129 HydrophobicContact CD2-CD2 3.72Å; F51-F129 HydrophobicContact CD2-CE2 4.22Å; F51-F129 HydrophobicContact CE1-CB 3.72Å; F51-F129 AromaticContact CE1-CD2 3.81Å; F51-F129 HydrophobicContact CE1-CD2 3.81Å; F51-F129 HydrophobicContact CE1-CG 4.21Å; F51-F129 AromaticContact CE2-CD2 3.65Å; F51-F129 HydrophobicContact CE2-CD2 3.65Å; F51-F129 HydrophobicContact CE2-CE2 4.11Å; F51-F129 AromaticContact CG-CD2 3.81Å; F51-F129 HydrophobicContact CG-CD2 3.81Å; F51-F129 HydrophobicContact CZ-CB 4.35Å; F51-F129 AromaticContact CZ-CD2 3.7Å; F51-F129 HydrophobicContact CZ-CD2 3.7Å; F51-F129 HydrophobicContact CZ-CE2 4.48Å; F51-F129 HydrophobicContact CZ-CG 4.4Å; V55-F129 HydrophobicContact CG1-CE2 4.14Å; I59-F129 HydrophobicContact CD1-CE1 4.48Å; I59-F129 HydrophobicContact CD1-CE2 4.12Å; I59-F129 HydrophobicContact CD1-CZ 3.49Å; I59-F129 VanDerWaalsContact CD1-CZ 3.49Å; L119-F129 HydrophobicContact CD1-CE1 3.96Å; L119-F129 HydrophobicContact CD1-CZ 4.21Å; W122-F129 HydrophobicContact CB-CD1 3.95Å; W122-F129 HydrophobicContact CB-CD2 4Å; W122-F129 HydrophobicContact CB-CE1 3.8Å; W122-F129 HydrophobicContact CB-CE2 3.87Å; W122-F129 HydrophobicContact CB-CG 4.07Å; W122-F129 HydrophobicContact CB-CZ 3.8Å; S126-F129 VanDerWaalsContact O-CB 3.32Å; S126-F129 WeakPolarHBondContact O-CB 3.44Å; S126-F129 PolarHBondContact O-N 2.95Å; S126-F129 VanDerWaalsContact O-N 3.1Å; S126-F129 WeakPolarHBondContact OG-CB 3.42Å; S126-F129 PolarHBondContact OG-N 3.41Å; P127-F129 PolarHBondContact O-N 2.72Å; F129-I133 HydrophobicContact CD1-CD1 3.69Å; F129-I133 HydrophobicContact CE1-CD1 3.3Å; F129-I133 HydrophobicContact CZ-CD1 4.16Å; F129-I133 PolarHBondContact O-N 3.46Å
130K92.5Very high89.3Confident81 Ų8168.1 Ų68.135%0.35235%0.347SS..Hα-helixtrans-62.6-43.2176.2179.5171.3-177.7172.60112.7T123 S126 P127 I132 I133 Q134T123-K130 HydrophobicContact CG2-CB 3.97Å; T123-K130 HydrophobicContact CG2-CD 4Å; T123-K130 HydrophobicContact CG2-CG 3.77Å; T123-K130 WeakPolarHBondContact O-CB 3.16Å; S126-K130 PolarHBondContact O-N 3.26Å; P127-K130 PolarHBondContact O-N 2.89Å; K130-I132 VanDerWaalsContact C-N 3.34Å; K130-I132 PolarHBondContact O-N 3.41Å; K130-I133 PolarHBondContact O-N 3.47Å; K130-Q134 VanDerWaalsContact CE-NE2 3.33Å; K130-Q134 HydrophobicContact CG-CG 4.29Å; K130-Q134 WeakPolarHBondContact O-CG 3.39Å; K130-Q134 PolarHBondContact O-N 3.16Å
131A95Very high89.7Confident52 Ų5268.5 Ų68.543%0.4335%0.352SS..Hα-helixtrans-60.1-44.6-178.600000111.5P127 P128 I133 Q134 E135P127-A131 WeakPolarHBondContact O-CB 3.43Å; P127-A131 PolarHBondContact O-N 2.88Å; P128-A131 PolarHBondContact O-N 3.39Å; A131-I133 PolarHBondContact O-N 2.86Å; A131-Q134 PolarHBondContact O-N 2.93Å; A131-E135 VanDerWaalsContact O-CB 3.28Å; A131-E135 WeakPolarHBondContact O-CB 3.22Å; A131-E135 PolarHBondContact O-N 2.85Å
132I96.8Very high88.9Confident12 Ų1264 Ų646%0.06233%0.331CS..Hα-helixtrans-60.7-46.2177-67.8168.1000111.1R41 M42 E45 F51 P128 K130 Q134 E135 I136R41-I132 HydrophobicContact CB-CG2 4.24Å; R41-I132 HydrophobicContact CG-CG2 3.55Å; M42-I132 HydrophobicContact CG-CG2 4.22Å; M42-I132 HydrophobicContact SD-CB 3.67Å; M42-I132 HydrophobicContact SD-CD1 4.13Å; M42-I132 HydrophobicContact SD-CG2 3.34Å; M42-I132 WeakPolarHBondContact SD-CG2 3.3Å; E45-I132 HydrophobicContact CB-CD1 3.47Å; E45-I132 VanDerWaalsContact CB-CD1 3.47Å; E45-I132 HydrophobicContact CG-CD1 3.52Å; F51-I132 HydrophobicContact CZ-CD1 4.44Å; P128-I132 WeakPolarHBondContact O-CG1 3.26Å; P128-I132 PolarHBondContact O-N 2.99Å; K130-I132 VanDerWaalsContact C-N 3.34Å; K130-I132 PolarHBondContact O-N 3.41Å; I132-Q134 PolarHBondContact O-N 3.01Å; I132-E135 PolarHBondContact O-N 3.27Å; I132-I136 HydrophobicContact CG2-CD1 3.77Å; I132-I136 VanDerWaalsContact O-CG1 3.3Å; I132-I136 WeakPolarHBondContact O-CG1 3.48Å; I132-I136 PolarHBondContact O-N 2.97Å
133I92Very high87.9Confident6 Ų664.9 Ų64.93%0.03135%0.348CS..Hα-helixtrans-61.7-46.1179.1-69.5167.5000110.8F38 M42 L119 F129 K130 A131 I136 Q137 L147F38-I133 HydrophobicContact CE1-CG2 4.39Å; M42-I133 HydrophobicContact CE-CD1 4.18Å; M42-I133 HydrophobicContact CE-CG1 4.21Å; M42-I133 HydrophobicContact SD-CG1 4.3Å; L119-I133 HydrophobicContact CD1-CD1 3.59Å; F129-I133 HydrophobicContact CD1-CD1 3.69Å; F129-I133 HydrophobicContact CE1-CD1 3.3Å; F129-I133 HydrophobicContact CZ-CD1 4.16Å; F129-I133 PolarHBondContact O-N 3.46Å; K130-I133 PolarHBondContact O-N 3.47Å; A131-I133 PolarHBondContact O-N 2.86Å; I133-I136 PolarHBondContact O-N 3.29Å; I133-Q137 HydrophobicContact CG2-CG 4.17Å; I133-Q137 VanDerWaalsContact O-CB 3.31Å; I133-Q137 WeakPolarHBondContact O-CB 3.27Å; I133-Q137 WeakPolarHBondContact O-CG 3.45Å; I133-Q137 PolarHBondContact O-N 3.25Å; I133-L147 HydrophobicContact CD1-CD2 4.19Å; I133-L147 HydrophobicContact CG1-CD2 4.15Å; I133-L147 HydrophobicContact CG2-CB 4.35Å
134Q89.9Confident87Confident107 Ų10769.5 Ų69.550%0.538%0.381SS..Hα-helixtrans-65.6-41.4-179.6-72.2-178.7-32.400112.2K130 A131 I132 Q137 S138K130-Q134 VanDerWaalsContact CE-NE2 3.33Å; K130-Q134 HydrophobicContact CG-CG 4.29Å; K130-Q134 WeakPolarHBondContact O-CG 3.39Å; K130-Q134 PolarHBondContact O-N 3.16Å; A131-Q134 PolarHBondContact O-N 2.93Å; I132-Q134 PolarHBondContact O-N 3.01Å; Q134-Q137 PolarHBondContact O-N 3.34Å; Q134-S138 WeakPolarHBondContact O-CB 3.37Å; Q134-S138 PolarHBondContact O-N 3.05Å
135E95.6Very high86Confident102 Ų10268.2 Ų68.248%0.47737%0.374SS..Hα-helixtrans-56.2-52.6174.9-177.9-172.8171.600110.3A131 I132 S138A131-E135 VanDerWaalsContact O-CB 3.28Å; A131-E135 WeakPolarHBondContact O-CB 3.22Å; A131-E135 PolarHBondContact O-N 2.85Å; I132-E135 PolarHBondContact O-N 3.27Å; E135-S138 PolarHBondContact O-N 3.16Å; E135-S138 PolarHBondContact O-OG 3.13Å
136I91.8Very high85.2Confident5 Ų562.2 Ų62.23%0.02636%0.357CS..Hα-helixtrans-65.3-43.2-179.6-60.9167.4000111V37 F38 R41 I132 I133 S138 Q139 C142V37-I136 HydrophobicContact CG1-CD1 4.32Å; V37-I136 HydrophobicContact CG1-CG1 4.34Å; V37-I136 HydrophobicContact CG1-CG2 3.65Å; F38-I136 HydrophobicContact CD1-CB 4.06Å; F38-I136 HydrophobicContact CD1-CD1 3.72Å; F38-I136 HydrophobicContact CD1-CG2 3.89Å; F38-I136 HydrophobicContact CD2-CG2 3.95Å; F38-I136 HydrophobicContact CE1-CB 3.58Å; F38-I136 HydrophobicContact CE1-CD1 4.14Å; F38-I136 HydrophobicContact CE1-CG1 4.47Å; F38-I136 HydrophobicContact CE1-CG2 3.51Å; F38-I136 HydrophobicContact CE2-CG2 3.57Å; F38-I136 HydrophobicContact CG-CD1 4.24Å; F38-I136 HydrophobicContact CG-CG2 4.11Å; F38-I136 HydrophobicContact CZ-CB 3.86Å; F38-I136 HydrophobicContact CZ-CG2 3.34Å; R41-I136 HydrophobicContact CB-CD1 4.03Å; R41-I136 HydrophobicContact CG-CD1 4.15Å; I132-I136 HydrophobicContact CG2-CD1 3.77Å; I132-I136 VanDerWaalsContact O-CG1 3.3Å; I132-I136 WeakPolarHBondContact O-CG1 3.48Å; I132-I136 PolarHBondContact O-N 2.97Å; I133-I136 PolarHBondContact O-N 3.29Å; I136-S138 PolarHBondContact O-N 3.02Å; I136-Q139 VanDerWaalsContact O-CB 3.3Å; I136-Q139 WeakPolarHBondContact O-CB 3.44Å; I136-Q139 WeakPolarHBondContact O-CG 3.23Å; I136-Q139 PolarHBondContact O-N 3.49Å; I136-C142 PolarHBondContact O-SG 2.99Å
137Q85.9Confident84.6Confident45 Ų4561.8 Ų61.821%0.2135%0.353CS..Hα-helixtrans-62.6-26.9179.1-76.5178.8169.200113.8F38 I133 Q134 Q139 T146F38-Q137 HydrophobicContact CE1-CG 4.27Å; F38-Q137 HydrophobicContact CZ-CG 3.92Å; I133-Q137 HydrophobicContact CG2-CG 4.17Å; I133-Q137 VanDerWaalsContact O-CB 3.31Å; I133-Q137 WeakPolarHBondContact O-CB 3.27Å; I133-Q137 WeakPolarHBondContact O-CG 3.45Å; I133-Q137 PolarHBondContact O-N 3.25Å; Q134-Q137 PolarHBondContact O-N 3.34Å; Q137-Q139 PolarHBondContact O-N 3.14Å; Q137-T146 VanDerWaalsContact OE1-CA 3.27Å; Q137-T146 VanDerWaalsContact OE1-CB 3.31Å
138S84.9Confident84.1Confident99 Ų9960.4 Ų60.469%0.69234%0.339SS*.THydrogen-bonded Turntrans-73.9-15.417775.70000113.4Q134 E135 I136Q134-S138 WeakPolarHBondContact O-CB 3.37Å; Q134-S138 PolarHBondContact O-N 3.05Å; E135-S138 PolarHBondContact O-N 3.16Å; E135-S138 PolarHBondContact O-OG 3.13Å; I136-S138 PolarHBondContact O-N 3.02Å
139Q90.4Very high83.1Confident75 Ų7562.6 Ų62.635%0.3534%0.344SS..SBendtrans-74.2145.8179.6-58.2179.49.700111.1I136 Q137 I141 C142I136-Q139 VanDerWaalsContact O-CB 3.3Å; I136-Q139 WeakPolarHBondContact O-CB 3.44Å; I136-Q139 WeakPolarHBondContact O-CG 3.23Å; I136-Q139 PolarHBondContact O-N 3.49Å; Q137-Q139 PolarHBondContact O-N 3.14Å; Q139-I141 HydrophobicContact CB-CD1 4.4Å; Q139-I141 HydrophobicContact CB-CG1 3.81Å; Q139-I141 PolarHBondContact O-N 2.84Å; Q139-I141 VanDerWaalsContact O-N 3.11Å; Q139-I141 VanDerWaalsContact OE1-CD1 3.23Å; Q139-C142 WeakPolarHBondContact O-CB 3.38Å; Q139-C142 PolarHBondContact O-N 2.98Å
140E83.7Confident82.3Confident188 Ų18862.5 Ų62.588%0.87934%0.343SS*.G310 helixtrans-56-32.7-179.7-171.1177.7-17500112.8C142 G143E140-C142 PolarHBondContact O-N 3.01Å; E140-C142 VanDerWaalsContact O-N 3.09Å; E140-G143 PolarHBondContact O-N 3.33Å
141I82.1Confident81.9Confident87 Ų8758.7 Ų58.745%0.44633%0.327SS..G310 helixtrans-57.4-25.9177.562.8175.8000113.2R30 L33 V37 Q139R30-I141 PolarHBondContact NH1-O 2.82Å; L33-I141 HydrophobicContact CD1-CD1 3.63Å; L33-I141 HydrophobicContact CD1-CG1 3.89Å; V37-I141 HydrophobicContact CG1-CD1 4.27Å; V37-I141 HydrophobicContact CG2-CD1 4.35Å; Q139-I141 HydrophobicContact CB-CD1 4.4Å; Q139-I141 HydrophobicContact CB-CG1 3.81Å; Q139-I141 PolarHBondContact O-N 2.84Å; Q139-I141 VanDerWaalsContact O-N 3.11Å; Q139-I141 VanDerWaalsContact OE1-CD1 3.23Å
142C69Low80.7Confident0 Ų059.2 Ų59.20%032%0.322CS..G310 helixtrans-80.1-12.6177-74.80000113.7I136 Q139 E140 S144 L145 H150I136-C142 PolarHBondContact O-SG 2.99Å; Q139-C142 WeakPolarHBondContact O-CB 3.38Å; Q139-C142 PolarHBondContact O-N 2.98Å; E140-C142 PolarHBondContact O-N 3.01Å; E140-C142 VanDerWaalsContact O-N 3.09Å; C142-S144 VanDerWaalsContact C-N 3.26Å; C142-S144 PolarHBondContact O-N 2.63Å; C142-L145 WeakPolarHBondContact O-CB 3.48Å; C142-L145 PolarHBondContact O-N 2.86Å; C142-H150 PolarHBondContact O-CE1 3.46Å; C142-H150 VanDerWaalsContact O-CE1 3.31Å; C142-H150 PolarHBondContact O-NE2 3.4Å; C142-H150 VanDerWaalsContact O-NE2 3.07Å
143G70.2Confident79.7Confident43 Ų4360.6 Ų60.644%0.44333%0.328SS..THydrogen-bonded Turntrans60.231.7174.600000114.4E140 L145E140-G143 PolarHBondContact O-N 3.33Å; G143-L145 PolarHBondContact O-N 3.05Å
144S65.4Low79.2Confident125 Ų12560.3 Ų60.387%0.87433%0.327SS*.THydrogen-bonded Turntrans61.616.9-173.3-50.50000115C142C142-S144 VanDerWaalsContact C-N 3.26Å; C142-S144 PolarHBondContact O-N 2.63Å
145L57.2Low78.6Confident71 Ų7156 Ų5637%0.37231%0.308SS..  trans-100.5146.6174.9-61.3176.6000110.7C142 G143 H149 H150C142-L145 WeakPolarHBondContact O-CB 3.48Å; C142-L145 PolarHBondContact O-N 2.86Å; G143-L145 PolarHBondContact O-N 3.05Å; L145-H149 HydrophobicContact CB-CB 3.99Å; L145-H150 PolarHBondContact O-NE2 2.96Å
146T71.4Confident77.1Confident45 Ų4554 Ų5428%0.27630%0.299SS..  trans-79.5164.9178.776.60000111.8Q137 Q148 H149 H150Q137-T146 VanDerWaalsContact OE1-CA 3.27Å; Q137-T146 VanDerWaalsContact OE1-CB 3.31Å; T146-Q148 PolarHBondContact O-N 2.89Å; T146-Q148 PolarHBondContact OG1-N 3.42Å; T146-Q148 PolarHBondContact OG1-OE1 2.92Å; T146-H149 WeakPolarHBondContact O-CB 3.32Å; T146-H149 PolarHBondContact O-N 3.35Å; T146-H149 PolarHBondContact OG1-ND1 2.92Å; T146-H150 PolarHBondContact O-CD2 3.21Å; T146-H150 PolarHBondContact O-N 2.98Å; T146-H150 VanDerWaalsContact O-N 3.17Å
147L82.1Confident76.7Confident1 Ų154 Ų541%0.00530%0.298CS..Hα-helixtrans-54.3-41174.3173.856.1000111.7L34 F38 F60 L119 I133 H149 H150 M151L34-L147 HydrophobicContact CD2-CD1 3.58Å; F38-L147 HydrophobicContact CB-CD1 4.14Å; F38-L147 HydrophobicContact CD1-CB 4.47Å; F38-L147 HydrophobicContact CD1-CD1 3.93Å; F38-L147 HydrophobicContact CD1-CD2 3.92Å; F38-L147 HydrophobicContact CD1-CG 4.33Å; F38-L147 HydrophobicContact CD2-CD1 3.78Å; F38-L147 HydrophobicContact CE1-CB 4Å; F38-L147 HydrophobicContact CE1-CD1 4.21Å; F38-L147 HydrophobicContact CE1-CD2 4.2Å; F38-L147 HydrophobicContact CE1-CG 4.36Å; F38-L147 HydrophobicContact CE2-CD1 4.07Å; F38-L147 HydrophobicContact CG-CD1 3.71Å; F38-L147 HydrophobicContact CG-CD2 4.43Å; F38-L147 HydrophobicContact CZ-CB 4.07Å; F38-L147 HydrophobicContact CZ-CD1 4.27Å; F60-L147 HydrophobicContact CE1-CD1 4.01Å; F60-L147 HydrophobicContact CE1-CD2 4.44Å; F60-L147 HydrophobicContact CZ-CD1 4.33Å; F60-L147 HydrophobicContact CZ-CD2 3.98Å; L119-L147 HydrophobicContact CD1-CD2 3.77Å; L119-L147 HydrophobicContact CD2-CD2 4.14Å; L119-L147 HydrophobicContact CD2-CG 4.19Å; I133-L147 HydrophobicContact CD1-CD2 4.19Å; I133-L147 HydrophobicContact CG1-CD2 4.15Å; I133-L147 HydrophobicContact CG2-CB 4.35Å; L147-H149 VanDerWaalsContact C-N 3.29Å; L147-H149 PolarHBondContact O-N 3.46Å; L147-H150 PolarHBondContact O-N 3.5Å; L147-M151 HydrophobicContact CD1-CG 3.81Å; L147-M151 HydrophobicContact CD1-SD 3.95Å; L147-M151 HydrophobicContact CD2-SD 4.38Å; L147-M151 HydrophobicContact CG-CG 4.2Å; L147-M151 HydrophobicContact CG-SD 3.81Å; L147-M151 WeakPolarHBondContact O-CB 3.49Å; L147-M151 VanDerWaalsContact O-CG 3.27Å; L147-M151 WeakPolarHBondContact O-CG 3.44Å; L147-M151 PolarHBondContact O-N 3.34Å
148Q80.9Confident76.2Confident69 Ų6952.3 Ų52.332%0.32229%0.291SS..Hα-helixtrans-57.6-41.4176-61.583.1-6.300112.2M116 L119 T146 M151 L152M116-Q148 HydrophobicContact SD-CB 4.01Å; M116-Q148 HydrophobicContact SD-CG 3.86Å; L119-Q148 HydrophobicContact CD2-CG 3.76Å; T146-Q148 PolarHBondContact O-N 2.89Å; T146-Q148 PolarHBondContact OG1-N 3.42Å; T146-Q148 PolarHBondContact OG1-OE1 2.92Å; Q148-M151 PolarHBondContact O-N 2.92Å; Q148-L152 PolarHBondContact O-N 2.95Å
149H72.7Confident75.3Confident100 Ų10049.1 Ų49.146%0.46327%0.268SS..Hα-helixtrans-64.4-45.4177.9-70.988.5000111L145 T146 L147 M151 L152L145-H149 HydrophobicContact CB-CB 3.99Å; T146-H149 WeakPolarHBondContact O-CB 3.32Å; T146-H149 PolarHBondContact O-N 3.35Å; T146-H149 PolarHBondContact OG1-ND1 2.92Å; L147-H149 VanDerWaalsContact C-N 3.29Å; L147-H149 PolarHBondContact O-N 3.46Å; H149-M151 VanDerWaalsContact C-N 3.33Å; H149-M151 PolarHBondContact O-N 3.49Å; H149-L152 WeakPolarHBondContact O-CB 3.47Å; H149-L152 PolarHBondContact O-N 3.48Å
150H78.4Confident74.4Confident0 Ų050.4 Ų50.40%027%0.269CS..Hα-helixtrans-64-39.5176.7-64.8-61.5000111.5L34 C142 L145 T146 L147 L152 E153L34-H150 WeakPolarHBondContact CD1-O 3.18Å; L34-H150 HydrophobicContact CD2-CB 3.64Å; L34-H150 HydrophobicContact CG-CB 4.12Å; C142-H150 PolarHBondContact O-CE1 3.46Å; C142-H150 VanDerWaalsContact O-CE1 3.31Å; C142-H150 PolarHBondContact O-NE2 3.4Å; C142-H150 VanDerWaalsContact O-NE2 3.07Å; L145-H150 PolarHBondContact O-NE2 2.96Å; T146-H150 PolarHBondContact O-CD2 3.21Å; T146-H150 PolarHBondContact O-N 2.98Å; T146-H150 VanDerWaalsContact O-N 3.17Å; L147-H150 PolarHBondContact O-N 3.5Å; H150-L152 PolarHBondContact O-N 3.33Å; H150-L152 VanDerWaalsContact O-N 3.16Å; H150-E153 WeakPolarHBondContact O-CB 3.49Å; H150-E153 PolarHBondContact O-N 3.37Å
151M83.8Confident74.2Confident1 Ų141.7 Ų41.71%0.00523%0.229CC..Hα-helixtrans-64.5-17.6179.2-72.7179.472.500113.6L34 I59 Y108 F112 A115 M116 L119 L147 Q148 H149 P154L34-M151 HydrophobicContact CD2-CB 4.49Å; L34-M151 HydrophobicContact CD2-CG 3.64Å; I59-M151 HydrophobicContact CG2-CE 3.85Å; I59-M151 HydrophobicContact CG2-SD 4.21Å; I59-M151 WeakPolarHBondContact O-CE 3.24Å; Y108-M151 WeakPolarHBondContact CE1-O 3.34Å; Y108-M151 PolarHBondContact OH-O 3.38Å; F112-M151 HydrophobicContact CE2-CB 3.99Å; F112-M151 VanDerWaalsContact CE2-O 3.24Å; F112-M151 WeakPolarHBondContact CE2-O 3.49Å; A115-M151 HydrophobicContact CB-CE 4.16Å; M116-M151 HydrophobicContact CE-CB 3.92Å; M116-M151 HydrophobicContact CE-CE 3.44Å; M116-M151 VanDerWaalsContact CE-CE 3.44Å; M116-M151 HydrophobicContact CE-CG 4.39Å; M116-M151 HydrophobicContact CE-SD 3.58Å; M116-M151 VanDerWaalsContact CE-SD 3.58Å; L119-M151 HydrophobicContact CD2-SD 4.01Å; L147-M151 HydrophobicContact CD1-CG 3.81Å; L147-M151 HydrophobicContact CD1-SD 3.95Å; L147-M151 HydrophobicContact CD2-SD 4.38Å; L147-M151 HydrophobicContact CG-CG 4.2Å; L147-M151 HydrophobicContact CG-SD 3.81Å; L147-M151 WeakPolarHBondContact O-CB 3.49Å; L147-M151 VanDerWaalsContact O-CG 3.27Å; L147-M151 WeakPolarHBondContact O-CG 3.44Å; L147-M151 PolarHBondContact O-N 3.34Å; Q148-M151 PolarHBondContact O-N 2.92Å; H149-M151 VanDerWaalsContact C-N 3.33Å; H149-M151 PolarHBondContact O-N 3.49Å; M151-P154 WeakPolarHBondContact O-CD 3.31Å
152L71.3Confident73.9Confident63 Ų6339.2 Ų39.233%0.3322%0.215SC..Hα-helixtrans-76.9-24.4172.9-73.6167.5000113.4F112 Q148 H149 H150 V155 Q156F112-L152 HydrophobicContact CE1-CD2 3.55Å; F112-L152 HydrophobicContact CE1-CG 4.46Å; F112-L152 HydrophobicContact CE2-CD2 4.23Å; F112-L152 HydrophobicContact CZ-CD2 3.3Å; F112-L152 HydrophobicContact CZ-CG 3.78Å; Q148-L152 PolarHBondContact O-N 2.95Å; H149-L152 WeakPolarHBondContact O-CB 3.47Å; H149-L152 PolarHBondContact O-N 3.48Å; H150-L152 PolarHBondContact O-N 3.33Å; H150-L152 VanDerWaalsContact O-N 3.16Å; L152-V155 WeakPolarHBondContact O-CB 3.44Å; L152-V155 PolarHBondContact O-N 3.39Å; L152-Q156 PolarHBondContact O-N 3.34Å; L152-Q156 VanDerWaalsContact O-N 3.13Å
153E74.8Confident74Confident41 Ų4144.1 Ų44.119%0.19224%0.239CC..Hα-helixtrans-56.3-42.9-175.2-69.9-74.1178.500113.1Y27 H150 V155 Q156 R157 R160Y27-E153 HydrophobicContact CD2-CB 4.39Å; Y27-E153 HydrophobicContact CE2-CB 4.2Å; H150-E153 WeakPolarHBondContact O-CB 3.49Å; H150-E153 PolarHBondContact O-N 3.37Å; E153-V155 VanDerWaalsContact C-N 3.28Å; E153-V155 PolarHBondContact O-N 2.89Å; E153-Q156 PolarHBondContact O-N 3.38Å; E153-Q156 VanDerWaalsContact O-N 3.14Å; E153-R157 PolarHBondContact O-N 3Å; E153-R160 IonicContact OE2-NH1 2.88Å; E153-R160 PolarHBondContact OE2-NH1 3.35Å; E153-R160 VanDerWaalsContact OE2-NH1 3.15Å
154P82.4Confident74.4Confident0 Ų043.2 Ų43.20%022%0.224CC..Hα-helixtrans-62-33.4175.2-2334.3000114.1Y27 L31 L34 I63 Y105 Y108 M151 Q156 R157Y27-P154 HydrophobicContact CE2-CG 4.43Å; Y27-P154 VanDerWaalsContact OH-CA 3.26Å; Y27-P154 WeakPolarHBondContact OH-CA 3.5Å; Y27-P154 WeakPolarHBondContact OH-CB 3.32Å; L31-P154 HydrophobicContact CD2-CG 3.94Å; L34-P154 HydrophobicContact CD1-CG 4.25Å; I63-P154 HydrophobicContact CD1-CG 3.83Å; Y105-P154 HydrophobicContact CD1-CB 4.48Å; Y105-P154 WeakPolarHBondContact CD1-O 3.08Å; Y105-P154 HydrophobicContact CE1-CB 3.95Å; Y105-P154 VanDerWaalsContact CE1-O 3.24Å; Y105-P154 WeakPolarHBondContact CE1-O 3Å; Y108-P154 HydrophobicContact CD1-CB 4.05Å; Y108-P154 HydrophobicContact CE1-CB 3.81Å; Y108-P154 HydrophobicContact CE1-CG 4Å; M151-P154 WeakPolarHBondContact O-CD 3.31Å; P154-Q156 VanDerWaalsContact C-N 3.32Å; P154-R157 PolarHBondContact O-N 3.49Å
155V76.5Confident75.3Confident17 Ų1737.3 Ų37.310%0.10318%0.183CC..Hα-helixtrans-67-38.2176.2-174.50000110.4Y108 V109 F112 L152 E153 P159Y108-V155 HydrophobicContact CD1-CG2 4.35Å; Y108-V155 HydrophobicContact CE1-CG2 4.18Å; V109-V155 HydrophobicContact CG2-CG1 4.27Å; V109-V155 HydrophobicContact CG2-CG2 4.21Å; F112-V155 HydrophobicContact CD2-CG2 4.02Å; F112-V155 HydrophobicContact CE2-CG2 4.32Å; F112-V155 HydrophobicContact CG-CG2 4.3Å; L152-V155 WeakPolarHBondContact O-CB 3.44Å; L152-V155 PolarHBondContact O-N 3.39Å; E153-V155 VanDerWaalsContact C-N 3.28Å; E153-V155 PolarHBondContact O-N 2.89Å; V155-P159 WeakPolarHBondContact O-CD 3.46Å
156Q65.3Low76.4Confident60 Ų6038.2 Ų38.228%0.2818%0.184SC..Hα-helixtrans-79.6-20.5-179.1-65.1-178.7-13.300113.8L152 E153 P154 P159 R160L152-Q156 PolarHBondContact O-N 3.34Å; L152-Q156 VanDerWaalsContact O-N 3.13Å; E153-Q156 PolarHBondContact O-N 3.38Å; E153-Q156 VanDerWaalsContact O-N 3.14Å; P154-Q156 VanDerWaalsContact C-N 3.32Å; Q156-P159 WeakPolarHBondContact O-CD 3.48Å; Q156-R160 WeakPolarHBondContact O-CG 3.35Å; Q156-R160 VanDerWaalsContact OE1-NH2 3.13Å
157R81.7Confident76.9Confident3 Ų339.4 Ų39.41%0.01119%0.189CC..Hα-helixtrans-69-39.2-175.8-167.271.7178.91555.2112.8T23 E24 Y27 E153 P154 R160 Y161T23-R157 PolarHBondContact OG1-NH1 3.1Å; T23-R157 PolarHBondContact OG1-NH2 3.19Å; E24-R157 VanDerWaalsContact CA-NH2 3.27Å; E24-R157 IonicContact OE2-CZ 2.65Å; E24-R157 IonicContact OE2-NE 3.76Å; E24-R157 PolarHBondContact OE2-NE 3.15Å; E24-R157 IonicContact OE2-NH2 3.82Å; E24-R157 PolarHBondContact OE2-NH2 3.23Å; Y27-R157 HydrophobicContact CD1-CG 3.72Å; Y27-R157 HydrophobicContact CD2-CB 4.42Å; Y27-R157 HydrophobicContact CD2-CG 4.34Å; Y27-R157 HydrophobicContact CE1-CB 4.03Å; Y27-R157 HydrophobicContact CE1-CG 3.53Å; Y27-R157 HydrophobicContact CE2-CB 3.97Å; Y27-R157 HydrophobicContact CE2-CG 4.21Å; Y27-R157 HydrophobicContact CG-CG 4.12Å; E153-R157 PolarHBondContact O-N 3Å; P154-R157 PolarHBondContact O-N 3.49Å; R157-R160 WeakPolarHBondContact O-CB 3.41Å; R157-R160 PolarHBondContact O-N 3.04Å; R157-R160 VanDerWaalsContact O-N 3.16Å; R157-Y161 HydrophobicContact CG-CD2 4.24Å; R157-Y161 HydrophobicContact CG-CE1 4.49Å; R157-Y161 HydrophobicContact CG-CE2 3.53Å; R157-Y161 PolarHBondContact NE-OH 3.36Å; R157-Y161 PolarHBondContact O-N 3.07Å; R157-Y161 VanDerWaalsContact O-N 3.16Å
158V76.3Confident77.2Confident11 Ų1139.4 Ų39.47%0.06719%0.188CC..Hα-helixtrans-61.8-49.2-176.9179.60000112.4L102 Y105 R160 Y161 E162 I189 A192L102-V158 HydrophobicContact CD2-CG1 4.16Å; L102-V158 HydrophobicContact CD2-CG2 4.34Å; Y105-V158 HydrophobicContact CD1-CG2 3.52Å; Y105-V158 HydrophobicContact CD2-CG2 4.26Å; Y105-V158 HydrophobicContact CE1-CG2 4Å; Y105-V158 HydrophobicContact CG-CG2 3.66Å; V158-R160 VanDerWaalsContact C-N 3.27Å; V158-R160 PolarHBondContact O-N 3.15Å; V158-Y161 PolarHBondContact O-N 3.34Å; V158-E162 PolarHBondContact O-N 3.26Å; V158-I189 HydrophobicContact CG1-CG2 4.22Å; V158-A192 HydrophobicContact CG1-CB 4.48Å
159P66.6Low77.6Confident32 Ų3236.8 Ų36.821%0.20818%0.177CC..Hα-helixtrans-60.1-33.4173.7-25.234.6000113.9V155 Q156 E162 M163 I200V155-P159 WeakPolarHBondContact O-CD 3.46Å; Q156-P159 WeakPolarHBondContact O-CD 3.48Å; P159-E162 WeakPolarHBondContact O-CB 3.36Å; P159-E162 PolarHBondContact O-N 2.96Å; P159-M163 WeakPolarHBondContact O-CG 3.4Å; P159-M163 PolarHBondContact O-N 3.47Å; P159-I200 HydrophobicContact CG-CD1 4.4Å
160R71Confident78.5Confident101 Ų10139 Ų3938%0.38119%0.185SC..Hα-helixtrans-64.8-39.8177.7-70.6174.1-178.9156.33.9111.8E153 Q156 R157 V158 E162 M163 L164E153-R160 IonicContact OE2-NH1 2.88Å; E153-R160 PolarHBondContact OE2-NH1 3.35Å; E153-R160 VanDerWaalsContact OE2-NH1 3.15Å; Q156-R160 WeakPolarHBondContact O-CG 3.35Å; Q156-R160 VanDerWaalsContact OE1-NH2 3.13Å; R157-R160 WeakPolarHBondContact O-CB 3.41Å; R157-R160 PolarHBondContact O-N 3.04Å; R157-R160 VanDerWaalsContact O-N 3.16Å; V158-R160 VanDerWaalsContact C-N 3.27Å; V158-R160 PolarHBondContact O-N 3.15Å; R160-E162 VanDerWaalsContact C-N 3.31Å; R160-E162 PolarHBondContact O-N 3.44Å; R160-M163 PolarHBondContact O-N 3.39Å; R160-L164 WeakPolarHBondContact O-CB 3.3Å; R160-L164 WeakPolarHBondContact O-CG 3.5Å; R160-L164 PolarHBondContact O-N 3.38Å
161Y78.8Confident79Confident6 Ų642.8 Ų42.82%0.02420%0.201CC..Hα-helixtrans-62.7-38.9173.2-66.1-49.1000112.1L20 E24 H70 R157 V158 L165L20-Y161 HydrophobicContact CD1-CD1 3.87Å; L20-Y161 HydrophobicContact CD1-CE1 3.72Å; E24-Y161 PolarHBondContact OE1-OH 3.13Å; E24-Y161 PolarHBondContact OE2-OH 2.96Å; H70-Y161 AromaticContact CE1-CZ 3.99Å; H70-Y161 PolarHBondContact CE1-OH 3.23Å; H70-Y161 PolarHBondContact ND1-OH 3.41Å; R157-Y161 HydrophobicContact CG-CD2 4.24Å; R157-Y161 HydrophobicContact CG-CE1 4.49Å; R157-Y161 HydrophobicContact CG-CE2 3.53Å; R157-Y161 PolarHBondContact NE-OH 3.36Å; R157-Y161 PolarHBondContact O-N 3.07Å; R157-Y161 VanDerWaalsContact O-N 3.16Å; V158-Y161 PolarHBondContact O-N 3.34Å; Y161-L165 WeakPolarHBondContact O-CB 3.46Å; Y161-L165 PolarHBondContact O-N 3.48Å
162E75.6Confident79.4Confident35 Ų3543.1 Ų43.116%0.16420%0.203CC..Hα-helixtrans-60.3-47.2176.8-163.7-170.5155.200111.6V158 P159 R160 L165 K166 L186 I189 A190V158-E162 PolarHBondContact O-N 3.26Å; P159-E162 WeakPolarHBondContact O-CB 3.36Å; P159-E162 PolarHBondContact O-N 2.96Å; R160-E162 VanDerWaalsContact C-N 3.31Å; R160-E162 PolarHBondContact O-N 3.44Å; E162-L165 PolarHBondContact O-N 3.22Å; E162-K166 WeakPolarHBondContact O-CB 3.17Å; E162-K166 WeakPolarHBondContact O-CG 3.47Å; E162-K166 PolarHBondContact O-N 3.5Å; E162-K166 VanDerWaalsContact OE1-CE 3.22Å; E162-K166 WeakPolarHBondContact OE1-CE 3.49Å; E162-K166 IonicContact OE1-NZ 3.82Å; E162-K166 PolarHBondContact OE1-NZ 2.88Å; E162-L186 HydrophobicContact CB-CD1 4.45Å; E162-L186 HydrophobicContact CG-CD1 3.61Å; E162-I189 HydrophobicContact CB-CG2 3.78Å; E162-I189 HydrophobicContact CG-CG2 4.34Å; E162-A190 HydrophobicContact CG-CB 4.43Å
163M71.7Confident80.3Confident102 Ų10243.3 Ų43.350%0.50221%0.208SC..Hα-helixtrans-62.7-50.4179-69.1-17864.900111.8P159 R160 L165 K166 D167P159-M163 WeakPolarHBondContact O-CG 3.4Å; P159-M163 PolarHBondContact O-N 3.47Å; R160-M163 PolarHBondContact O-N 3.39Å; M163-L165 VanDerWaalsContact C-N 3.29Å; M163-L165 PolarHBondContact O-N 2.83Å; M163-K166 PolarHBondContact O-N 3.3Å; M163-D167 PolarHBondContact O-N 2.76Å
164L78.9Confident80.8Confident25 Ų2549.3 Ų49.313%0.13124%0.236CC..Hα-helixtrans-60.1-40.9179.9-74.3169.1000111.6E19 L20 R160 D167 Y168E19-L164 HydrophobicContact CG-CD2 4.38Å; L20-L164 HydrophobicContact CD1-CD1 4.08Å; R160-L164 WeakPolarHBondContact O-CB 3.3Å; R160-L164 WeakPolarHBondContact O-CG 3.5Å; R160-L164 PolarHBondContact O-N 3.38Å; L164-D167 PolarHBondContact O-N 3.32Å; L164-Y168 WeakPolarHBondContact O-CB 3.45Å; L164-Y168 PolarHBondContact O-N 3.37Å
165L83.3Confident81.1Confident1 Ų157 Ų571%0.00528%0.277CS..Hα-helixtrans-73.8-35.1-178.2-168.256.9000112.6L95 Y161 E162 M163 D167 Y168 L169 A182 L186 I189L95-L165 HydrophobicContact CD1-CD1 3.67Å; L95-L165 HydrophobicContact CD1-CD2 4.43Å; Y161-L165 WeakPolarHBondContact O-CB 3.46Å; Y161-L165 PolarHBondContact O-N 3.48Å; E162-L165 PolarHBondContact O-N 3.22Å; M163-L165 VanDerWaalsContact C-N 3.29Å; M163-L165 PolarHBondContact O-N 2.83Å; L165-D167 VanDerWaalsContact C-N 3.3Å; L165-D167 PolarHBondContact O-N 3.42Å; L165-Y168 HydrophobicContact CD1-CD1 4.16Å; L165-Y168 PolarHBondContact O-N 3.03Å; L165-L169 WeakPolarHBondContact O-CB 3.28Å; L165-L169 WeakPolarHBondContact O-CG 3.3Å; L165-L169 PolarHBondContact O-N 2.85Å; L165-A182 HydrophobicContact CD1-CB 3.75Å; L165-A182 WeakPolarHBondContact CD2-O 3.42Å; L165-L186 HydrophobicContact CB-CD1 4.36Å; L165-L186 HydrophobicContact CD2-CB 3.72Å; L165-L186 HydrophobicContact CD2-CD1 4.44Å; L165-L186 HydrophobicContact CG-CB 4.11Å; L165-I189 HydrophobicContact CD2-CD1 3.99Å
166K81.4Confident81.8Confident90 Ų9058.2 Ų58.239%0.39128%0.283SS..Hα-helixtrans-59.5-43.5168.7-78.7175.2-176.8171.10111.2E162 M163 K170 L186E162-K166 WeakPolarHBondContact O-CB 3.17Å; E162-K166 WeakPolarHBondContact O-CG 3.47Å; E162-K166 PolarHBondContact O-N 3.5Å; E162-K166 VanDerWaalsContact OE1-CE 3.22Å; E162-K166 WeakPolarHBondContact OE1-CE 3.49Å; E162-K166 IonicContact OE1-NZ 3.82Å; E162-K166 PolarHBondContact OE1-NZ 2.88Å; M163-K166 PolarHBondContact O-N 3.3Å; K166-K170 WeakPolarHBondContact O-CG 3.45Å; K166-K170 PolarHBondContact O-N 3.38Å; K166-K170 VanDerWaalsContact O-N 3.16Å; K166-L186 HydrophobicContact CG-CD1 3.86Å; K166-L186 HydrophobicContact CG-CD2 3.68Å; K166-L186 HydrophobicContact CG-CG 4.45Å
167D81.4Confident83Confident70 Ų7060.2 Ų60.237%0.37430%0.301SS..Hα-helixtrans-70.6-37.5179-73-15.8000112I16 M163 L164 L165 K170 K171I16-D167 HydrophobicContact CD1-CB 4.5Å; M163-D167 PolarHBondContact O-N 2.76Å; L164-D167 PolarHBondContact O-N 3.32Å; L165-D167 VanDerWaalsContact C-N 3.3Å; L165-D167 PolarHBondContact O-N 3.42Å; D167-K170 PolarHBondContact O-N 2.77Å; D167-K170 IonicContact OD1-NZ 2.75Å; D167-K170 PolarHBondContact OD1-NZ 3.38Å; D167-K171 WeakPolarHBondContact O-CG 3.32Å; D167-K171 PolarHBondContact O-N 2.99Å
168Y88.1Confident83.5Confident0 Ų060 Ų600%030%0.301CS..Hα-helixtrans-58.1-49.4171.8-172.8-110.3000111.9L13 I16 I91 L164 L165 K170 K171 L172 D178 A182L13-Y168 HydrophobicContact CB-CE2 4.24Å; L13-Y168 HydrophobicContact CD2-CD2 3.46Å; L13-Y168 VanDerWaalsContact CD2-CD2 3.46Å; L13-Y168 HydrophobicContact CD2-CE2 3.32Å; L13-Y168 HydrophobicContact CD2-CG 4.27Å; L13-Y168 HydrophobicContact CG-CE2 4.33Å; I16-Y168 HydrophobicContact CG2-CD2 4.17Å; I91-Y168 HydrophobicContact CD1-CD1 4.3Å; I91-Y168 HydrophobicContact CD1-CD2 3.78Å; I91-Y168 HydrophobicContact CD1-CE1 4.34Å; I91-Y168 HydrophobicContact CD1-CE2 3.86Å; I91-Y168 HydrophobicContact CD1-CG 4.04Å; I91-Y168 HydrophobicContact CG1-CD1 4.11Å; I91-Y168 HydrophobicContact CG1-CD2 4.08Å; I91-Y168 HydrophobicContact CG1-CE1 3.69Å; I91-Y168 HydrophobicContact CG1-CE2 3.7Å; I91-Y168 HydrophobicContact CG1-CG 4.3Å; L164-Y168 WeakPolarHBondContact O-CB 3.45Å; L164-Y168 PolarHBondContact O-N 3.37Å; L165-Y168 HydrophobicContact CD1-CD1 4.16Å; L165-Y168 PolarHBondContact O-N 3.03Å; Y168-K170 VanDerWaalsContact C-N 3.31Å; Y168-K170 PolarHBondContact O-N 3.32Å; Y168-K171 PolarHBondContact O-N 2.99Å; Y168-L172 HydrophobicContact CD1-CD1 3.46Å; Y168-L172 VanDerWaalsContact CD1-CD1 3.46Å; Y168-L172 HydrophobicContact CD1-CG 4.09Å; Y168-L172 HydrophobicContact CE1-CD1 3.24Å; Y168-L172 HydrophobicContact CE1-CD2 4.11Å; Y168-L172 HydrophobicContact CE1-CG 3.77Å; Y168-L172 HydrophobicContact CG-CD1 4.38Å; Y168-L172 PolarHBondContact O-N 3.07Å; Y168-D178 WeakPolarHBondContact CE1-OD2 3.38Å; Y168-D178 PolarHBondContact OH-OD2 3.18Å; Y168-A182 HydrophobicContact CD1-CB 4.16Å; Y168-A182 HydrophobicContact CE1-CB 4.32Å
169L90.8Very high84.3Confident15 Ų1561.9 Ų61.98%0.07931%0.306CS..Hα-helixtrans-62.9-32.6178.9-77.5168.7000113.9L165 K171 L172 R179 A182 E183 L186L165-L169 WeakPolarHBondContact O-CB 3.28Å; L165-L169 WeakPolarHBondContact O-CG 3.3Å; L165-L169 PolarHBondContact O-N 2.85Å; L169-K171 PolarHBondContact O-N 3.05Å; L169-L172 HydrophobicContact CD2-CD1 3.95Å; L169-R179 HydrophobicContact CD2-CG 3.96Å; L169-R179 PolarHBondContact O-NH2 3.01Å; L169-A182 HydrophobicContact CD2-CB 3.58Å; L169-A182 HydrophobicContact CG-CB 4.03Å; L169-E183 HydrophobicContact CD1-CG 3.97Å; L169-E183 HydrophobicContact CD2-CG 3.62Å; L169-E183 HydrophobicContact CG-CG 4.46Å; L169-L186 HydrophobicContact CD1-CB 4.23Å; L169-L186 HydrophobicContact CD1-CD2 3.65Å
170K90.2Very high85.6Confident146 Ų14663.1 Ų63.164%0.63532%0.316SS*.Hα-helixtrans-65.7-27173.4-72.6170.6-164.5160.60112.5K166 D167 Y168K166-K170 WeakPolarHBondContact O-CG 3.45Å; K166-K170 PolarHBondContact O-N 3.38Å; K166-K170 VanDerWaalsContact O-N 3.16Å; D167-K170 PolarHBondContact O-N 2.77Å; D167-K170 IonicContact OD1-NZ 2.75Å; D167-K170 PolarHBondContact OD1-NZ 3.38Å; Y168-K170 VanDerWaalsContact C-N 3.31Å; Y168-K170 PolarHBondContact O-N 3.32Å
171K89.4Confident86.6Confident79 Ų7959.8 Ų59.834%0.34331%0.305SS..Hα-helixtrans-98.5-20.3-177.4-57.7-52.5-179.3-173.60113.3K12 L13 I16 D167 Y168 L169K12-K171 HydrophobicContact CB-CG 4.34Å; K12-K171 HydrophobicContact CD-CD 4.17Å; L13-K171 HydrophobicContact CD2-CB 3.75Å; L13-K171 HydrophobicContact CG-CB 4.12Å; I16-K171 HydrophobicContact CD1-CG 4.01Å; D167-K171 WeakPolarHBondContact O-CG 3.32Å; D167-K171 PolarHBondContact O-N 2.99Å; Y168-K171 PolarHBondContact O-N 2.99Å; L169-K171 PolarHBondContact O-N 3.05Å
172L91.4Very high87.2Confident9 Ų959.5 Ų59.55%0.04730%0.304CS..SBendtrans-63.9137.1173.1-86.4166.8000111.4L13 Y168 L169 D176 D178 R179 A182L13-L172 HydrophobicContact CD1-CD2 4.45Å; L13-L172 HydrophobicContact CD2-CD2 4.38Å; L13-L172 HydrophobicContact CD2-CG 4.03Å; Y168-L172 HydrophobicContact CD1-CD1 3.46Å; Y168-L172 VanDerWaalsContact CD1-CD1 3.46Å; Y168-L172 HydrophobicContact CD1-CG 4.09Å; Y168-L172 HydrophobicContact CE1-CD1 3.24Å; Y168-L172 HydrophobicContact CE1-CD2 4.11Å; Y168-L172 HydrophobicContact CE1-CG 3.77Å; Y168-L172 HydrophobicContact CG-CD1 4.38Å; Y168-L172 PolarHBondContact O-N 3.07Å; L169-L172 HydrophobicContact CD2-CD1 3.95Å; L172-D176 HydrophobicContact CD2-CB 3.79Å; L172-D178 HydrophobicContact CD2-CB 4.39Å; L172-R179 PolarHBondContact O-NH1 3.15Å; L172-A182 HydrophobicContact CD1-CB 4.26Å
173P90Very high88Confident66 Ų6662.3 Ų62.343%0.42932%0.318SS..  trans-59.9151.1166.5-22.532.6000112.6N175 D176 R179P173-N175 VanDerWaalsContact C-N 3.26Å; P173-N175 PolarHBondContact O-N 3.18Å; P173-D176 HydrophobicContact CB-CB 4.21Å; P173-D176 HydrophobicContact CG-CB 4.42Å; P173-D176 VanDerWaalsContact O-CB 3.24Å; P173-D176 WeakPolarHBondContact O-CB 3.43Å; P173-D176 PolarHBondContact O-N 2.72Å; P173-D176 VanDerWaalsContact O-N 3.12Å; P173-R179 PolarHBondContact O-NH1 3.36Å
174Q86.1Confident88.8Confident167 Ų16762.2 Ų62.278%0.7831%0.314SS*.THydrogen-bonded Turntrans-65.2-29.3-174.2-161.5157.98.900113.6
175N88.9Confident89.1Confident162 Ų16261 Ų6187%0.86631%0.308SS*.THydrogen-bonded Turntrans-99.914.1178.1-60.7-22.1000112.8P173P173-N175 VanDerWaalsContact C-N 3.26Å; P173-N175 PolarHBondContact O-N 3.18Å
176D91.7Very high89.3Confident43 Ų4362.3 Ų62.323%0.2332%0.315CS..  trans-68.7132.5-179.3-165-70.3000110.9L172 P173 D178 R179L172-D176 HydrophobicContact CD2-CB 3.79Å; P173-D176 HydrophobicContact CB-CB 4.21Å; P173-D176 HydrophobicContact CG-CB 4.42Å; P173-D176 VanDerWaalsContact O-CB 3.24Å; P173-D176 WeakPolarHBondContact O-CB 3.43Å; P173-D176 PolarHBondContact O-N 2.72Å; P173-D176 VanDerWaalsContact O-N 3.12Å; D176-D178 PolarHBondContact O-N 3.27Å; D176-D178 WeakPolarHBondContact OD1-CB 3.32Å; D176-D178 PolarHBondContact OD1-N 2.81Å; D176-R179 WeakPolarHBondContact O-CB 3.36Å; D176-R179 PolarHBondContact O-N 3.47Å; D176-R179 VanDerWaalsContact O-N 3.15Å
177P88.8Confident89.3Confident101 Ų10164.6 Ų64.666%0.65633%0.327SS*.THydrogen-bonded Turntrans-60.6-24.8-179.425.2-35.6000113.6R179P177-R179 VanDerWaalsContact C-N 3.35Å
178D93.6Very high89Confident0 Ų064.4 Ų64.40%033%0.325CS..THydrogen-bonded Turntrans-82.4-14-179-157.943.5000113.6R90 I91 G92 D93 Y168 L172 D176 S180 D181 A182R90-D178 HydrophobicContact CB-CB 3.73Å; R90-D178 WeakPolarHBondContact CB-OD2 3.44Å; R90-D178 IonicContact CZ-OD1 2.68Å; R90-D178 VanDerWaalsContact CZ-OD1 3.26Å; R90-D178 IonicContact NE-OD1 3.78Å; R90-D178 PolarHBondContact NE-OD1 3.19Å; R90-D178 IonicContact NH2-OD1 3.87Å; R90-D178 PolarHBondContact NH2-OD1 3.17Å; I91-D178 PolarHBondContact N-OD2 3.02Å; G92-D178 VanDerWaalsContact CA-OD1 3.31Å; G92-D178 WeakPolarHBondContact CA-OD1 3.39Å; G92-D178 WeakPolarHBondContact CA-OD2 3.42Å; G92-D178 VanDerWaalsContact N-CG 3.32Å; G92-D178 PolarHBondContact N-OD1 3.34Å; G92-D178 VanDerWaalsContact N-OD1 3.15Å; G92-D178 PolarHBondContact N-OD2 2.88Å; D93-D178 PolarHBondContact N-OD1 3.2Å; Y168-D178 WeakPolarHBondContact CE1-OD2 3.38Å; Y168-D178 PolarHBondContact OH-OD2 3.18Å; L172-D178 HydrophobicContact CD2-CB 4.39Å; D176-D178 PolarHBondContact O-N 3.27Å; D176-D178 WeakPolarHBondContact OD1-CB 3.32Å; D176-D178 PolarHBondContact OD1-N 2.81Å; D178-S180 PolarHBondContact O-N 2.86Å; D178-D181 PolarHBondContact O-N 3.27Å; D178-A182 WeakPolarHBondContact O-CB 3.45Å; D178-A182 PolarHBondContact O-N 2.88Å
179R93.1Very high88.4Confident49 Ų4964.5 Ų64.519%0.18533%0.326CS..Hα-helixtrans-59.1-45.2-177.2-169.2179-150.794.911.5112.2L169 L172 P173 D176 P177 D181 A182 E183L169-R179 HydrophobicContact CD2-CG 3.96Å; L169-R179 PolarHBondContact O-NH2 3.01Å; L172-R179 PolarHBondContact O-NH1 3.15Å; P173-R179 PolarHBondContact O-NH1 3.36Å; D176-R179 WeakPolarHBondContact O-CB 3.36Å; D176-R179 PolarHBondContact O-N 3.47Å; D176-R179 VanDerWaalsContact O-N 3.15Å; P177-R179 VanDerWaalsContact C-N 3.35Å; R179-D181 VanDerWaalsContact C-N 3.31Å; R179-D181 PolarHBondContact O-N 3.31Å; R179-A182 PolarHBondContact O-N 3.29Å; R179-E183 HydrophobicContact CG-CG 4.28Å; R179-E183 WeakPolarHBondContact CG-OE1 3.41Å; R179-E183 IonicContact NE-OE1 2.66Å; R179-E183 PolarHBondContact NE-OE1 3.22Å; R179-E183 WeakPolarHBondContact O-CB 3.49Å; R179-E183 WeakPolarHBondContact O-CG 3.47Å; R179-E183 PolarHBondContact O-N 3.04Å
180S92.4Very high87.4Confident59 Ų5965 Ų6541%0.41333%0.332SS..Hα-helixtrans-61.6-40-179.6-172.80000112.1D178 K184D178-S180 PolarHBondContact O-N 2.86Å; S180-K184 VanDerWaalsContact O-CG 3.29Å; S180-K184 WeakPolarHBondContact O-CG 3.32Å; S180-K184 PolarHBondContact O-N 3.5Å; S180-K184 PolarHBondContact OG-NZ 2.94Å
181D93.1Very high86.3Confident30 Ų3062.4 Ų62.416%0.1633%0.328CS..Hα-helixtrans-73.1-38.3-179.9-67.7-31.8000111.4R90 Q96 D178 R179 S185R90-D181 IonicContact CZ-OD2 2.7Å; R90-D181 IonicContact NH2-OD2 2.61Å; R90-D181 PolarHBondContact NH2-OD2 2.96Å; Q96-D181 PolarHBondContact NE2-OD1 2.68Å; D178-D181 PolarHBondContact O-N 3.27Å; R179-D181 VanDerWaalsContact C-N 3.31Å; R179-D181 PolarHBondContact O-N 3.31Å; D181-S185 WeakPolarHBondContact O-CB 3.44Å; D181-S185 PolarHBondContact O-N 3.47Å; D181-S185 PolarHBondContact O-OG 2.89Å
182A91.9Very high84.9Confident0 Ų059.7 Ų59.70%032%0.321CS..Hα-helixtrans-66.3-41.4174.300000113L165 Y168 L169 L172 D178 R179 S185 L186L165-A182 HydrophobicContact CD1-CB 3.75Å; L165-A182 WeakPolarHBondContact CD2-O 3.42Å; Y168-A182 HydrophobicContact CD1-CB 4.16Å; Y168-A182 HydrophobicContact CE1-CB 4.32Å; L169-A182 HydrophobicContact CD2-CB 3.58Å; L169-A182 HydrophobicContact CG-CB 4.03Å; L172-A182 HydrophobicContact CD1-CB 4.26Å; D178-A182 WeakPolarHBondContact O-CB 3.45Å; D178-A182 PolarHBondContact O-N 2.88Å; R179-A182 PolarHBondContact O-N 3.29Å; A182-S185 PolarHBondContact O-N 3.33Å; A182-L186 WeakPolarHBondContact O-CB 3.38Å; A182-L186 PolarHBondContact O-N 3.43Å
183E91.2Very high83.3Confident95 Ų9559.7 Ų59.744%0.44432%0.322SS..Hα-helixtrans-65.2-45.8177.5-74.8172.6174.500111.8L169 R179 S185 L186 E187L169-E183 HydrophobicContact CD1-CG 3.97Å; L169-E183 HydrophobicContact CD2-CG 3.62Å; L169-E183 HydrophobicContact CG-CG 4.46Å; R179-E183 HydrophobicContact CG-CG 4.28Å; R179-E183 WeakPolarHBondContact CG-OE1 3.41Å; R179-E183 IonicContact NE-OE1 2.66Å; R179-E183 PolarHBondContact NE-OE1 3.22Å; R179-E183 WeakPolarHBondContact O-CB 3.49Å; R179-E183 WeakPolarHBondContact O-CG 3.47Å; R179-E183 PolarHBondContact O-N 3.04Å; E183-S185 VanDerWaalsContact C-N 3.31Å; E183-S185 PolarHBondContact O-N 3.27Å; E183-L186 PolarHBondContact O-N 3.42Å; E183-E187 PolarHBondContact O-N 3.07Å
184K88.1Confident81.5Confident99 Ų9960.6 Ų60.643%0.4333%0.327SS..Hα-helixtrans-59.7-42174.9-72.9169.7-173.4162.70112S180 L186 I188S180-K184 VanDerWaalsContact O-CG 3.29Å; S180-K184 WeakPolarHBondContact O-CG 3.32Å; S180-K184 PolarHBondContact O-N 3.5Å; S180-K184 PolarHBondContact OG-NZ 2.94Å; K184-L186 VanDerWaalsContact C-N 3.33Å; K184-I188 WeakPolarHBondContact O-CD1 3.43Å; K184-I188 WeakPolarHBondContact O-CG1 3.31Å; K184-I188 PolarHBondContact O-N 3.33Å
185S87.3Confident79.6Confident0 Ų060.7 Ų60.70%033%0.327CS..Hα-helixtrans-63.3-41.1177.3-58.30000111.1Q96 D181 A182 E183 I188 I189Q96-S185 WeakPolarHBondContact CA-OG 3.34Å; Q96-S185 PolarHBondContact N-OG 3.45Å; Q96-S185 VanDerWaalsContact N-OG 3.08Å; D181-S185 WeakPolarHBondContact O-CB 3.44Å; D181-S185 PolarHBondContact O-N 3.47Å; D181-S185 PolarHBondContact O-OG 2.89Å; A182-S185 PolarHBondContact O-N 3.33Å; E183-S185 VanDerWaalsContact C-N 3.31Å; E183-S185 PolarHBondContact O-N 3.27Å; S185-I188 PolarHBondContact O-N 3.01Å; S185-I189 WeakPolarHBondContact O-CB 3.48Å; S185-I189 WeakPolarHBondContact O-CD1 3.3Å; S185-I189 VanDerWaalsContact O-CG1 3.24Å; S185-I189 WeakPolarHBondContact O-CG1 3.47Å; S185-I189 PolarHBondContact O-N 3.31Å
186L85.5Confident77.7Confident29 Ų2954 Ų5415%0.15229%0.293CS..Hα-helixtrans-65.5-43.8-179.8-18061.7000112.4E162 L165 K166 L169 A182 E183 K184 I188 I189 A190E162-L186 HydrophobicContact CB-CD1 4.45Å; E162-L186 HydrophobicContact CG-CD1 3.61Å; L165-L186 HydrophobicContact CB-CD1 4.36Å; L165-L186 HydrophobicContact CD2-CB 3.72Å; L165-L186 HydrophobicContact CD2-CD1 4.44Å; L165-L186 HydrophobicContact CG-CB 4.11Å; K166-L186 HydrophobicContact CG-CD1 3.86Å; K166-L186 HydrophobicContact CG-CD2 3.68Å; K166-L186 HydrophobicContact CG-CG 4.45Å; L169-L186 HydrophobicContact CD1-CB 4.23Å; L169-L186 HydrophobicContact CD1-CD2 3.65Å; A182-L186 WeakPolarHBondContact O-CB 3.38Å; A182-L186 PolarHBondContact O-N 3.43Å; E183-L186 PolarHBondContact O-N 3.42Å; K184-L186 VanDerWaalsContact C-N 3.33Å; L186-I188 PolarHBondContact O-N 3.25Å; L186-I189 PolarHBondContact O-N 2.89Å; L186-A190 VanDerWaalsContact O-CB 3.22Å; L186-A190 WeakPolarHBondContact O-CB 3.2Å; L186-A190 PolarHBondContact O-N 3.38Å
187E82.5Confident75.2Confident137 Ų13755 Ų5564%0.6430%0.298SS*.Hα-helixtrans-55.2-41.9178.3-176.2179-17200111.5E183 T191E183-E187 PolarHBondContact O-N 3.07Å; E187-T191 PolarHBondContact O-N 3.24Å; E187-T191 VanDerWaalsContact O-N 3.11Å; E187-T191 PolarHBondContact O-OG1 3.16Å
188I74.2Confident73.2Confident67 Ų6754.7 Ų54.734%0.34430%0.298SS..Hα-helixtrans-81.3-37.1-173.8-55.9166.8000111.1T99 L102 K184 S185 L186 T191 A192T99-I188 HydrophobicContact CG2-CB 3.78Å; T99-I188 HydrophobicContact CG2-CD1 3.09Å; T99-I188 HydrophobicContact CG2-CG1 3.94Å; T99-I188 HydrophobicContact CG2-CG2 3.48Å; T99-I188 VanDerWaalsContact CG2-CG2 3.48Å; L102-I188 HydrophobicContact CD1-CG2 3.99Å; K184-I188 WeakPolarHBondContact O-CD1 3.43Å; K184-I188 WeakPolarHBondContact O-CG1 3.31Å; K184-I188 PolarHBondContact O-N 3.33Å; S185-I188 PolarHBondContact O-N 3.01Å; L186-I188 PolarHBondContact O-N 3.25Å; I188-T191 PolarHBondContact O-N 3.31Å; I188-A192 PolarHBondContact O-N 2.69Å; I188-A192 VanDerWaalsContact O-N 3.11Å
189I75.4Confident71Confident1 Ų156.8 Ų56.81%0.00532%0.316CS..Hα-helixtrans-61.4-46.7170.6-68.2165.4000110.8L102 V158 E162 L165 S185 L186 T191 A192 A193L102-I189 HydrophobicContact CD1-CB 4.33Å; L102-I189 HydrophobicContact CD1-CG1 3.64Å; L102-I189 HydrophobicContact CD2-CG1 4.37Å; V158-I189 HydrophobicContact CG1-CG2 4.22Å; E162-I189 HydrophobicContact CB-CG2 3.78Å; E162-I189 HydrophobicContact CG-CG2 4.34Å; L165-I189 HydrophobicContact CD2-CD1 3.99Å; S185-I189 WeakPolarHBondContact O-CB 3.48Å; S185-I189 WeakPolarHBondContact O-CD1 3.3Å; S185-I189 VanDerWaalsContact O-CG1 3.24Å; S185-I189 WeakPolarHBondContact O-CG1 3.47Å; S185-I189 PolarHBondContact O-N 3.31Å; L186-I189 PolarHBondContact O-N 2.89Å; I189-T191 VanDerWaalsContact C-N 3.32Å; I189-T191 PolarHBondContact O-N 3.45Å; I189-A192 PolarHBondContact O-N 2.92Å; I189-A192 VanDerWaalsContact O-N 3.17Å; I189-A193 PolarHBondContact O-N 3Å
190A69.6Low68.8Low25 Ų2555.6 Ų55.621%0.20731%0.312CS..Hα-helixtrans-61.2-42.2-179.500000111.5E162 L186 A192 A193 T194E162-A190 HydrophobicContact CG-CB 4.43Å; L186-A190 VanDerWaalsContact O-CB 3.22Å; L186-A190 WeakPolarHBondContact O-CB 3.2Å; L186-A190 PolarHBondContact O-N 3.38Å; A190-A192 VanDerWaalsContact C-N 3.35Å; A190-A192 PolarHBondContact O-N 2.99Å; A190-A193 PolarHBondContact O-N 3.11Å; A190-T194 PolarHBondContact O-N 3.34Å; A190-T194 PolarHBondContact O-OG1 3.02Å
191T67Low66.9Low92 Ų9261.4 Ų61.456%0.56433%0.325SS*.Hα-helixtrans-61.5-41.2175.6-57.20000112E187 I188 I189 T194E187-T191 PolarHBondContact O-N 3.24Å; E187-T191 VanDerWaalsContact O-N 3.11Å; E187-T191 PolarHBondContact O-OG1 3.16Å; I188-T191 PolarHBondContact O-N 3.31Å; I189-T191 VanDerWaalsContact C-N 3.32Å; I189-T191 PolarHBondContact O-N 3.45Å; T191-T194 PolarHBondContact O-N 3.06Å
192A61.9Low64.9Low23 Ų2367.9 Ų67.919%0.1935%0.352CS..Hα-helixtrans-67.3-37.5176.100000112.5L102 V158 I188 I189 A190 S196L102-A192 HydrophobicContact CB-CB 4.16Å; L102-A192 HydrophobicContact CD1-CB 4.5Å; L102-A192 HydrophobicContact CD2-CB 4.5Å; V158-A192 HydrophobicContact CG1-CB 4.48Å; I188-A192 PolarHBondContact O-N 2.69Å; I188-A192 VanDerWaalsContact O-N 3.11Å; I189-A192 PolarHBondContact O-N 2.92Å; I189-A192 VanDerWaalsContact O-N 3.17Å; A190-A192 VanDerWaalsContact C-N 3.35Å; A190-A192 PolarHBondContact O-N 2.99Å; A192-S196 PolarHBondContact O-OG 3.09Å
193A57.7Low63.1Low8 Ų870.2 Ų70.27%0.06637%0.369CS..Hα-helixtrans-64.8-38.9175.200000112.1I189 A190 H195 S196 I200I189-A193 PolarHBondContact O-N 3Å; A190-A193 PolarHBondContact O-N 3.11Å; A193-H195 VanDerWaalsContact C-N 3.33Å; A193-H195 PolarHBondContact O-N 3.03Å; A193-S196 WeakPolarHBondContact O-CB 3.36Å; A193-S196 PolarHBondContact O-N 3Å; A193-I200 WeakPolarHBondContact O-CD1 3.43Å
194T51Low61.6Low86 Ų8671.8 Ų71.853%0.52838%0.376SS..Hα-helixtrans-69.2-26-176.8-6.90000114A190 T191 S196 N197A190-T194 PolarHBondContact O-N 3.34Å; A190-T194 PolarHBondContact O-OG1 3.02Å; T191-T194 PolarHBondContact O-N 3.06Å; T194-S196 PolarHBondContact O-N 3.21Å; T194-N197 VanDerWaalsContact O-CG 3.23Å; T194-N197 PolarHBondContact O-ND2 2.85Å
195H47.6Very low60.5Low168 Ų16868.7 Ų68.778%0.77836%0.364SS*.THydrogen-bonded Turntrans-76.6-1.6177.1-154.4165.5000112.9A193A193-H195 VanDerWaalsContact C-N 3.33Å; A193-H195 PolarHBondContact O-N 3.03Å
196S48.8Very low59Low22 Ų2272.7 Ų72.715%0.15439%0.385CS..THydrogen-bonded Turntrans-112.917.1-171.5-58.60000114.2A192 A193 T194 S198A192-S196 PolarHBondContact O-OG 3.09Å; A193-S196 WeakPolarHBondContact O-CB 3.36Å; A193-S196 PolarHBondContact O-N 3Å; T194-S196 PolarHBondContact O-N 3.21Å; S196-S198 PolarHBondContact O-N 3.24Å
197N39.1Very low57.9Low65 Ų6576.7 Ų76.735%0.34840%0.401SS..Hα-helixtrans-73.6-15.8-148.7-99-21.8000120.1T194 R201T194-N197 VanDerWaalsContact O-CG 3.23Å; T194-N197 PolarHBondContact O-ND2 2.85Å; N197-R201 WeakPolarHBondContact O-CG 3.45Å; N197-R201 PolarHBondContact O-N 3.49Å
198S45.8Very low57.7Low94 Ų9472.2 Ų72.266%0.65738%0.38SS*.Hα-helixtrans-78.9-36.5179.858.40000112.9S196S196-S198 PolarHBondContact O-N 3.24Å
199A46.9Very low57.4Low44 Ų4469.1 Ų69.136%0.36436%0.364SS..Hα-helixtrans-73.5-37174.800000111.6K202 S203A199-K202 PolarHBondContact O-N 3.05Å; A199-S203 WeakPolarHBondContact O-CB 3.49Å; A199-S203 PolarHBondContact O-N 2.96Å
200I48.1Very low56.7Low23 Ų2373 Ų7312%0.11838%0.383CS..Hα-helixtrans-63.4-46178.2-66173.4000111.3P159 A193 K202 S203 E204P159-I200 HydrophobicContact CG-CD1 4.4Å; A193-I200 WeakPolarHBondContact O-CD1 3.43Å; I200-K202 VanDerWaalsContact C-N 3.31Å; I200-K202 PolarHBondContact O-N 2.97Å; I200-S203 CarbonylContact O-C 3.36Å; I200-S203 WeakPolarHBondContact O-CA 3.41Å; I200-S203 WeakPolarHBondContact O-CB 3.48Å; I200-S203 PolarHBondContact O-N 3.45Å; I200-E204 HydrophobicContact CG2-CG 4.33Å; I200-E204 PolarHBondContact O-N 2.99Å
201R51.8Low57Low181 Ų18175.8 Ų75.868%0.68339%0.392SS*.Hα-helixtrans-60.5-38.4177.9-76.4-179.2-178.2-175.41.4113.1N197 S203 N205N197-R201 WeakPolarHBondContact O-CG 3.45Å; N197-R201 PolarHBondContact O-N 3.49Å; R201-S203 VanDerWaalsContact C-N 3.33Å; R201-N205 PolarHBondContact O-N 2.75Å
202K51.5Low57.6Low167 Ų16771.4 Ų71.473%0.72637%0.365SS*.Hα-helixtrans-68-35.6174.2-70.6-178.4178.7179.20111.6A199 I200 L206A199-K202 PolarHBondContact O-N 3.05Å; I200-K202 VanDerWaalsContact C-N 3.31Å; I200-K202 PolarHBondContact O-N 2.97Å; K202-L206 WeakPolarHBondContact O-CB 3.44Å; K202-L206 PolarHBondContact O-N 2.68Å
203S53.5Low57.8Low49 Ų4973.7 Ų73.734%0.34337%0.369SS..Hα-helixtrans-70.7-40177.5-170.10000113.4A199 I200 R201 L206 K207A199-S203 WeakPolarHBondContact O-CB 3.49Å; A199-S203 PolarHBondContact O-N 2.96Å; I200-S203 CarbonylContact O-C 3.36Å; I200-S203 WeakPolarHBondContact O-CA 3.41Å; I200-S203 WeakPolarHBondContact O-CB 3.48Å; I200-S203 PolarHBondContact O-N 3.45Å; R201-S203 VanDerWaalsContact C-N 3.33Å; S203-L206 PolarHBondContact O-N 3.21Å; S203-K207 WeakPolarHBondContact O-CB 3.08Å; S203-K207 PolarHBondContact O-N 3.23Å
204E61Low58.3Low127 Ų12779.1 Ų79.159%0.59339%0.393SS*.Hα-helixtrans-67.3-41.9176.6-72.7-178.2153.700111.5I200 K207 K208I200-E204 HydrophobicContact CG2-CG 4.33Å; I200-E204 PolarHBondContact O-N 2.99Å; E204-K207 PolarHBondContact O-N 2.8Å; E204-K208 PolarHBondContact O-N 3.35Å
205N65.3Low59.7Low34 Ų3477 Ų7718%0.18238%0.378CS..Hα-helixtrans-60.8-47.4173.7-175.658.4000110.9R201 K207 K208 L209 N227 E228 F229R201-N205 PolarHBondContact O-N 2.75Å; N205-K207 VanDerWaalsContact C-N 3.34Å; N205-K207 PolarHBondContact O-N 3.32Å; N205-K208 PolarHBondContact O-N 3.26Å; N205-L209 WeakPolarHBondContact O-CG 2.85Å; N205-L209 PolarHBondContact O-N 2.95Å; N205-N227 PolarHBondContact ND2-O 3.03Å; N205-E228 WeakPolarHBondContact OD1-CA 3.09Å; N205-F229 PolarHBondContact OD1-N 3.15Å
206L55.6Low61.2Low85 Ų8569.3 Ų69.345%0.44534%0.342SS..Hα-helixtrans-59.9-42.8177.6-17761.9000112.3K202 S203 K208 L209 M210 V223K202-L206 WeakPolarHBondContact O-CB 3.44Å; K202-L206 PolarHBondContact O-N 2.68Å; S203-L206 PolarHBondContact O-N 3.21Å; L206-K208 VanDerWaalsContact C-N 3.35Å; L206-K208 PolarHBondContact O-N 3.1Å; L206-L209 PolarHBondContact O-N 3.23Å; L206-M210 HydrophobicContact CD1-CE 4.27Å; L206-M210 WeakPolarHBondContact O-CG 3.49Å; L206-M210 PolarHBondContact O-N 3.43Å; L206-V223 HydrophobicContact CD1-CG1 3.92Å
207K62.7Low61.8Low113 Ų11369.3 Ų69.349%0.49135%0.346SS..Hα-helixtrans-58.2-47.3175.1-176.6-176.2175.3-173.40111.2S203 E204 N205 L209 M210 E211S203-K207 WeakPolarHBondContact O-CB 3.08Å; S203-K207 PolarHBondContact O-N 3.23Å; E204-K207 PolarHBondContact O-N 2.8Å; N205-K207 VanDerWaalsContact C-N 3.34Å; N205-K207 PolarHBondContact O-N 3.32Å; K207-L209 VanDerWaalsContact C-N 3.33Å; K207-L209 PolarHBondContact O-N 3.38Å; K207-M210 PolarHBondContact O-N 3.03Å; K207-E211 VanDerWaalsContact CE-OE1 3.32Å; K207-E211 WeakPolarHBondContact CE-OE1 3.47Å; K207-E211 PolarHBondContact O-N 3.18Å
208K77.4Confident62.8Low43 Ų4372 Ų7219%0.18736%0.356CS..Hα-helixtrans-64.1-36.9178.9-173.654.5173.5172.20112.3E204 N205 L206 M210 E211 I212 F229 E232E204-K208 PolarHBondContact O-N 3.35Å; N205-K208 PolarHBondContact O-N 3.26Å; L206-K208 VanDerWaalsContact C-N 3.35Å; L206-K208 PolarHBondContact O-N 3.1Å; K208-M210 VanDerWaalsContact C-N 3.34Å; K208-E211 IonicContact NZ-OE2 3.9Å; K208-E211 PolarHBondContact O-N 3.26Å; K208-I212 HydrophobicContact CD-CD1 4.33Å; K208-I212 HydrophobicContact CD-CG1 4.49Å; K208-I212 HydrophobicContact CG-CD1 4.14Å; K208-I212 WeakPolarHBondContact O-CD1 3.35Å; K208-I212 VanDerWaalsContact O-CG1 3.26Å; K208-I212 WeakPolarHBondContact O-CG1 3.12Å; K208-I212 PolarHBondContact O-N 3.46Å; K208-I212 VanDerWaalsContact O-N 3.15Å; K208-F229 HydrophobicContact CD-CD1 4.29Å; K208-F229 HydrophobicContact CD-CE1 4.43Å; K208-F229 VanDerWaalsContact CE-CE1 3.4Å; K208-F229 HydrophobicContact CG-CB 3.94Å; K208-F229 HydrophobicContact CG-CD1 3.64Å; K208-F229 HydrophobicContact CG-CE1 4.26Å; K208-F229 HydrophobicContact CG-CG 3.77Å; K208-E232 IonicContact NZ-OE1 2.92Å; K208-E232 PolarHBondContact NZ-OE1 3.06Å; K208-E232 IonicContact NZ-OE2 3.58Å
209L67.6Low62.9Low1 Ų173.8 Ų73.81%0.00535%0.354CS..Hα-helixtrans-63.2-39.8174.4-65.3-177.9000112.2N205 L206 K207 I212 Y213 N227 F253N205-L209 WeakPolarHBondContact O-CG 2.85Å; N205-L209 PolarHBondContact O-N 2.95Å; L206-L209 PolarHBondContact O-N 3.23Å; K207-L209 VanDerWaalsContact C-N 3.33Å; K207-L209 PolarHBondContact O-N 3.38Å; L209-I212 PolarHBondContact O-N 2.9Å; L209-Y213 WeakPolarHBondContact O-CB 3.41Å; L209-Y213 PolarHBondContact O-N 3.47Å; L209-N227 HydrophobicContact CD1-CB 4.19Å; L209-N227 HydrophobicContact CD2-CB 4.21Å; L209-F253 HydrophobicContact CD2-CD1 4.1Å; L209-F253 HydrophobicContact CD2-CE1 3.52Å
210M60.1Low63.3Low84 Ų8474.1 Ų74.141%0.41435%0.348SS..Hα-helixtrans-66.6-43.7177.2-68.2-63.3-17000112.2L206 K207 K208 I212 Y213 E214 V223L206-M210 HydrophobicContact CD1-CE 4.27Å; L206-M210 WeakPolarHBondContact O-CG 3.49Å; L206-M210 PolarHBondContact O-N 3.43Å; K207-M210 PolarHBondContact O-N 3.03Å; K208-M210 VanDerWaalsContact C-N 3.34Å; M210-I212 VanDerWaalsContact C-N 3.27Å; M210-I212 PolarHBondContact O-N 3.18Å; M210-Y213 WeakPolarHBondContact O-CB 3.33Å; M210-Y213 PolarHBondContact O-N 3.01Å; M210-Y213 VanDerWaalsContact O-N 3.09Å; M210-E214 PolarHBondContact O-N 3.43Å; M210-V223 HydrophobicContact CE-CG1 3.61Å; M210-V223 HydrophobicContact SD-CG1 3.94Å; M210-V223 HydrophobicContact SD-CG2 3.92Å
211E75.8Confident63.7Low83 Ų8379.2 Ų79.239%0.38838%0.376SS..Hα-helixtrans-57.3-42.7175.1-71171.4-171.900111.6K207 K208 M215K207-E211 VanDerWaalsContact CE-OE1 3.32Å; K207-E211 WeakPolarHBondContact CE-OE1 3.47Å; K207-E211 PolarHBondContact O-N 3.18Å; K208-E211 IonicContact NZ-OE2 3.9Å; K208-E211 PolarHBondContact O-N 3.26Å; E211-M215 WeakPolarHBondContact O-CB 3.16Å; E211-M215 PolarHBondContact O-N 3.06Å; E211-M215 VanDerWaalsContact O-N 3.07Å
212I79.9Confident63.9Low0 Ų070.6 Ų70.60%034%0.343CS..Hα-helixtrans-69.7-38177.1-61.3165.1000110.6K208 L209 M210 E214 M215 L216 I222 F229 L251 F253K208-I212 HydrophobicContact CD-CD1 4.33Å; K208-I212 HydrophobicContact CD-CG1 4.49Å; K208-I212 HydrophobicContact CG-CD1 4.14Å; K208-I212 WeakPolarHBondContact O-CD1 3.35Å; K208-I212 VanDerWaalsContact O-CG1 3.26Å; K208-I212 WeakPolarHBondContact O-CG1 3.12Å; K208-I212 PolarHBondContact O-N 3.46Å; K208-I212 VanDerWaalsContact O-N 3.15Å; L209-I212 PolarHBondContact O-N 2.9Å; M210-I212 VanDerWaalsContact C-N 3.27Å; M210-I212 PolarHBondContact O-N 3.18Å; I212-E214 PolarHBondContact O-N 2.94Å; I212-M215 WeakPolarHBondContact O-CB 3.38Å; I212-M215 PolarHBondContact O-N 3.2Å; I212-L216 HydrophobicContact CG2-CD1 3.96Å; I212-L216 HydrophobicContact CG2-CG 4.19Å; I212-L216 WeakPolarHBondContact O-CB 3.41Å; I212-L216 VanDerWaalsContact O-CG 3.27Å; I212-L216 WeakPolarHBondContact O-CG 3.4Å; I212-L216 PolarHBondContact O-N 3.4Å; I212-I222 HydrophobicContact CB-CD1 3.7Å; I212-I222 HydrophobicContact CG2-CD1 3.37Å; I212-F229 HydrophobicContact CD1-CB 4.42Å; I212-F229 HydrophobicContact CD1-CD2 3.28Å; I212-F229 HydrophobicContact CD1-CE2 3.62Å; I212-F229 HydrophobicContact CD1-CG 3.95Å; I212-L251 HydrophobicContact CD1-CD2 4.33Å; I212-L251 HydrophobicContact CG1-CD2 4.28Å; I212-L251 HydrophobicContact CG2-CD1 3.55Å; I212-L251 HydrophobicContact CG2-CD2 4.02Å; I212-L251 HydrophobicContact CG2-CG 4.35Å; I212-F253 HydrophobicContact CD1-CE1 4.21Å; I212-F253 HydrophobicContact CD1-CZ 3.98Å; I212-F253 HydrophobicContact CG2-CZ 4.27Å
213Y66.9Low63.8Low70 Ų7064.8 Ų64.828%0.27532%0.321SS..Hα-helixtrans-61.4-44.7179.1178.9-106.5000111.6L209 M210 L216 G217 E218 E220 I222 V223L209-Y213 WeakPolarHBondContact O-CB 3.41Å; L209-Y213 PolarHBondContact O-N 3.47Å; M210-Y213 WeakPolarHBondContact O-CB 3.33Å; M210-Y213 PolarHBondContact O-N 3.01Å; M210-Y213 VanDerWaalsContact O-N 3.09Å; Y213-L216 PolarHBondContact O-N 3.36Å; Y213-G217 PolarHBondContact O-N 3.27Å; Y213-E218 HydrophobicContact CD1-CB 4.35Å; Y213-E218 HydrophobicContact CD1-CG 4.02Å; Y213-E218 HydrophobicContact CE1-CB 3.62Å; Y213-E218 HydrophobicContact CE1-CG 3.58Å; Y213-E218 HydrophobicContact CE2-CB 4.36Å; Y213-E218 VanDerWaalsContact CZ-CA 3.45Å; Y213-E218 PolarHBondContact O-N 3.05Å; Y213-E218 PolarHBondContact OH-O 3.41Å; Y213-E218 VanDerWaalsContact OH-O 3.05Å; Y213-E220 WeakPolarHBondContact CD2-O 3.08Å; Y213-E220 VanDerWaalsContact CE2-O 3.25Å; Y213-E220 WeakPolarHBondContact CE2-O 3.08Å; Y213-I222 HydrophobicContact CD2-CG1 4.31Å; Y213-V223 HydrophobicContact CD1-CG2 4.47Å; Y213-V223 HydrophobicContact CD2-CG2 3.98Å; Y213-V223 HydrophobicContact CG-CG2 3.84Å
214E68.8Low63.5Low123 Ų12366.9 Ų66.958%0.57533%0.326SS*.Hα-helixtrans-63.5-42.2173.5-70.1178.9-178.800112M210 I212 L216 G217M210-E214 PolarHBondContact O-N 3.43Å; I212-E214 PolarHBondContact O-N 2.94Å; E214-L216 VanDerWaalsContact C-N 3.26Å; E214-L216 PolarHBondContact O-N 3.3Å; E214-G217 PolarHBondContact O-N 3.35Å
215M79.9Confident62.6Low42 Ų4266.6 Ų66.621%0.20734%0.335CS..Hα-helixtrans-61.2-34.6177.3-170.8-161.9-65.600112.3E211 I212 G217 Y249 K270 Y271E211-M215 WeakPolarHBondContact O-CB 3.16Å; E211-M215 PolarHBondContact O-N 3.06Å; E211-M215 VanDerWaalsContact O-N 3.07Å; I212-M215 WeakPolarHBondContact O-CB 3.38Å; I212-M215 PolarHBondContact O-N 3.2Å; M215-G217 VanDerWaalsContact C-N 3.28Å; M215-Y249 HydrophobicContact SD-CE1 4.41Å; M215-K270 WeakPolarHBondContact O-CA 3.32Å; M215-Y271 HydrophobicContact CG-CD2 3.68Å; M215-Y271 HydrophobicContact CG-CE2 4.1Å; M215-Y271 PolarHBondContact O-N 3.48Å; M215-Y271 HydrophobicContact SD-CD2 3.5Å; M215-Y271 WeakPolarHBondContact SD-CD2 3.38Å; M215-Y271 HydrophobicContact SD-CE2 3.62Å
216L78.9Confident61.9Low5 Ų567.8 Ų67.83%0.02635%0.346CS..THydrogen-bonded Turntrans-82.4-2.5176.2-65.3179.9000113.5I212 Y213 E214 E220 I222 L251 L258 V273I212-L216 HydrophobicContact CG2-CD1 3.96Å; I212-L216 HydrophobicContact CG2-CG 4.19Å; I212-L216 WeakPolarHBondContact O-CB 3.41Å; I212-L216 VanDerWaalsContact O-CG 3.27Å; I212-L216 WeakPolarHBondContact O-CG 3.4Å; I212-L216 PolarHBondContact O-N 3.4Å; Y213-L216 PolarHBondContact O-N 3.36Å; E214-L216 VanDerWaalsContact C-N 3.26Å; E214-L216 PolarHBondContact O-N 3.3Å; L216-E220 HydrophobicContact CB-CB 4.49Å; L216-E220 HydrophobicContact CB-CG 4.4Å; L216-E220 HydrophobicContact CD1-CB 4.01Å; L216-E220 HydrophobicContact CD1-CG 4.19Å; L216-I222 HydrophobicContact CD1-CD1 4.02Å; L216-L251 HydrophobicContact CD1-CD1 4.14Å; L216-L251 HydrophobicContact CD2-CD1 3.91Å; L216-L251 HydrophobicContact CG-CD1 4.26Å; L216-L258 HydrophobicContact CD1-CD1 3.93Å; L216-V273 HydrophobicContact CD1-CG2 3.97Å; L216-V273 HydrophobicContact CD2-CG2 3.84Å; L216-V273 HydrophobicContact CG-CG2 4.47Å
217G62.3Low62.1Low23 Ų2364 Ų6424%0.23733%0.326CS..THydrogen-bonded Turntrans78.726.6177.600000114.4Y213 E214 M215 E219Y213-G217 PolarHBondContact O-N 3.27Å; E214-G217 PolarHBondContact O-N 3.35Å; M215-G217 VanDerWaalsContact C-N 3.28Å; G217-E219 PolarHBondContact O-N 3.36Å; G217-E219 VanDerWaalsContact O-N 3.14Å
218E59.7Low62.8Low122 Ų12263.7 Ų63.757%0.5733%0.326SS*.SBendtrans63.815.5172.9-51.8174.6-158.600115.2Y213Y213-E218 HydrophobicContact CD1-CB 4.35Å; Y213-E218 HydrophobicContact CD1-CG 4.02Å; Y213-E218 HydrophobicContact CE1-CB 3.62Å; Y213-E218 HydrophobicContact CE1-CG 3.58Å; Y213-E218 HydrophobicContact CE2-CB 4.36Å; Y213-E218 VanDerWaalsContact CZ-CA 3.45Å; Y213-E218 PolarHBondContact O-N 3.05Å; Y213-E218 PolarHBondContact OH-O 3.41Å; Y213-E218 VanDerWaalsContact OH-O 3.05Å
219E47.1Very low63.3Low130 Ų13063.8 Ų63.861%0.60733%0.327SS*.  trans-92.5-17.4-179.4-70.5173.7-164.200112.5G217 K263G217-E219 PolarHBondContact O-N 3.36Å; G217-E219 VanDerWaalsContact O-N 3.14Å; E219-K263 IonicContact OE1-NZ 3.52Å
220E55.6Low64.5Low51 Ų5167.1 Ų67.124%0.23834%0.344CS..SBendtrans-110.9123.2-168.5-65.7-70.815500112.4Y213 L216 I222 V273Y213-E220 WeakPolarHBondContact CD2-O 3.08Å; Y213-E220 VanDerWaalsContact CE2-O 3.25Å; Y213-E220 WeakPolarHBondContact CE2-O 3.08Å; L216-E220 HydrophobicContact CB-CB 4.49Å; L216-E220 HydrophobicContact CB-CG 4.4Å; L216-E220 HydrophobicContact CD1-CB 4.01Å; L216-E220 HydrophobicContact CD1-CG 4.19Å; E220-I222 VanDerWaalsContact C-N 3.34Å; E220-I222 HydrophobicContact CB-CG2 4.17Å; E220-I222 PolarHBondContact O-N 2.9Å; E220-V273 HydrophobicContact CG-CB 4.23Å; E220-V273 HydrophobicContact CG-CG2 3.67Å
221D55.3Low66.1Low130 Ų13066 Ų6670%0.69534%0.337SS*.  trans-77.482.8178.3-17312.6000111.5
222I57.6Low67Low1 Ų164.7 Ų64.71%0.00533%0.331CS..  trans-113.5-9.917963.9159.5000113I212 Y213 L216 E220 H224 N227 F253 M256 L258I212-I222 HydrophobicContact CB-CD1 3.7Å; I212-I222 HydrophobicContact CG2-CD1 3.37Å; Y213-I222 HydrophobicContact CD2-CG1 4.31Å; L216-I222 HydrophobicContact CD1-CD1 4.02Å; E220-I222 VanDerWaalsContact C-N 3.34Å; E220-I222 HydrophobicContact CB-CG2 4.17Å; E220-I222 PolarHBondContact O-N 2.9Å; I222-H224 VanDerWaalsContact C-N 3.3Å; I222-H224 PolarHBondContact O-N 3.34Å; I222-N227 PolarHBondContact O-ND2 2.81Å; I222-F253 HydrophobicContact CD1-CZ 4.18Å; I222-M256 HydrophobicContact CG2-CE 4.24Å; I222-L258 HydrophobicContact CG2-CD1 3.88Å
223V48.2Very low67.7Low44 Ų4465.3 Ų65.327%0.26734%0.337SS..  trans-84.476.5-178.5-1730000108.7L206 M210 Y213L206-V223 HydrophobicContact CD1-CG1 3.92Å; M210-V223 HydrophobicContact CE-CG1 3.61Å; M210-V223 HydrophobicContact SD-CG1 3.94Å; M210-V223 HydrophobicContact SD-CG2 3.92Å; Y213-V223 HydrophobicContact CD1-CG2 4.47Å; Y213-V223 HydrophobicContact CD2-CG2 3.98Å; Y213-V223 HydrophobicContact CG-CG2 3.84Å
224H47.4Very low69Low94 Ų9466.8 Ų66.844%0.43535%0.347SS..  trans-126.3138.7177.8-171.7-93.1000110.6I222 S226 N227I222-H224 VanDerWaalsContact C-N 3.3Å; I222-H224 PolarHBondContact O-N 3.34Å; H224-S226 PolarHBondContact CE1-OG 3.04Å; H224-S226 VanDerWaalsContact CE1-OG 3.24Å; H224-S226 WeakPolarHBondContact ND1-CB 3.37Å; H224-S226 PolarHBondContact ND1-N 2.92Å; H224-S226 PolarHBondContact ND1-OG 3.08Å; H224-S226 PolarHBondContact O-N 2.81Å; H224-N227 HydrophobicContact CB-CB 4.46Å; H224-N227 WeakPolarHBondContact O-CB 3.31Å; H224-N227 PolarHBondContact O-N 3.01Å
225P41.8Very low70.2Confident121 Ų12161.1 Ų61.179%0.78632%0.32SS*.THydrogen-bonded Turntrans-58.7-22.5-178.6-26.734.9000115.3
226S51.8Low70.9Confident59 Ų5961.8 Ų61.841%0.41332%0.323SS..THydrogen-bonded Turntrans-87.8-11.6176.180.10000114.2H224 N254H224-S226 PolarHBondContact CE1-OG 3.04Å; H224-S226 VanDerWaalsContact CE1-OG 3.24Å; H224-S226 WeakPolarHBondContact ND1-CB 3.37Å; H224-S226 PolarHBondContact ND1-N 2.92Å; H224-S226 PolarHBondContact ND1-OG 3.08Å; H224-S226 PolarHBondContact O-N 2.81Å; S226-N254 PolarHBondContact O-ND2 3.01Å; S226-N254 PolarHBondContact O-OD1 3.48Å
227N60.1Low71.5Confident6 Ų664.1 Ų64.13%0.03233%0.333CS..  trans-80.8121.8178.2-70.6-13.2000107.9N205 L209 I222 H224 F253 N255N205-N227 PolarHBondContact ND2-O 3.03Å; L209-N227 HydrophobicContact CD1-CB 4.19Å; L209-N227 HydrophobicContact CD2-CB 4.21Å; I222-N227 PolarHBondContact O-ND2 2.81Å; H224-N227 HydrophobicContact CB-CB 4.46Å; H224-N227 WeakPolarHBondContact O-CB 3.31Å; H224-N227 PolarHBondContact O-N 3.01Å; N227-F253 HydrophobicContact CB-CD1 4.43Å; N227-N255 PolarHBondContact OD1-ND2 3.34Å; N227-N255 PolarHBondContact OD1-OD1 3.36Å
228E76.7Confident72.8Confident105 Ų10563.7 Ų63.749%0.49133%0.326SS..  trans-115.4126174-66.7172.3160.300108.6N205 F253 N254N205-E228 WeakPolarHBondContact OD1-CA 3.09Å; E228-F253 CarbonylContact O-C 3.55Å; E228-F253 WeakPolarHBondContact O-CA 3.24Å; E228-N254 HydrophobicContact CB-CB 4.11Å; E228-N254 PolarHBondContact N-OD1 3.15Å; E228-N254 VanDerWaalsContact N-OD1 3.1Å; E228-N254 PolarHBondContact O-N 2.77Å; E228-N254 PolarHBondContact OE2-ND2 2.81Å
229F87.8Confident73.7Confident46 Ų4658.7 Ų58.720%0.20231%0.305CS..EExtended strand (participates in β ladder)trans-73.2132.8176.6175.3-100.6000110.6N205 K208 I212 K231 E232 L251 F253N205-F229 PolarHBondContact OD1-N 3.15Å; K208-F229 HydrophobicContact CD-CD1 4.29Å; K208-F229 HydrophobicContact CD-CE1 4.43Å; K208-F229 VanDerWaalsContact CE-CE1 3.4Å; K208-F229 HydrophobicContact CG-CB 3.94Å; K208-F229 HydrophobicContact CG-CD1 3.64Å; K208-F229 HydrophobicContact CG-CE1 4.26Å; K208-F229 HydrophobicContact CG-CG 3.77Å; I212-F229 HydrophobicContact CD1-CB 4.42Å; I212-F229 HydrophobicContact CD1-CD2 3.28Å; I212-F229 HydrophobicContact CD1-CE2 3.62Å; I212-F229 HydrophobicContact CD1-CG 3.95Å; F229-K231 VanDerWaalsContact CZ-C 3.46Å; F229-E232 HydrophobicContact CE2-CB 3.91Å; F229-E232 HydrophobicContact CE2-CG 4.44Å; F229-E232 HydrophobicContact CZ-CB 3.64Å; F229-E232 HydrophobicContact CZ-CG 3.74Å; F229-L251 HydrophobicContact CE2-CD2 4.24Å; F229-F253 HydrophobicContact CB-CD1 4.44Å; F229-F253 HydrophobicContact CB-CE1 4.34Å; F229-F253 HydrophobicContact CD2-CE1 4.26Å; F229-F253 HydrophobicContact CD2-CZ 4.46Å
230I92.1Very high74.8Confident71 Ų7157.7 Ų57.736%0.36432%0.319SS..EExtended strand (participates in β ladder)trans-112.2-52-175.5-55.3-60.8000111.6K252 N254 A321I230-K252 WeakPolarHBondContact CA-O 3.23Å; I230-K252 HydrophobicContact CB-CB 4.44Å; I230-K252 HydrophobicContact CB-CG 4.06Å; I230-K252 WeakPolarHBondContact CB-O 3.2Å; I230-K252 HydrophobicContact CG2-CG 4.32Å; I230-K252 PolarHBondContact N-O 2.76Å; I230-N254 HydrophobicContact CD1-CB 4.36Å; I230-A321 HydrophobicContact CG2-CB 4.32Å
231K94.7Very high75.2Confident59 Ų5967 Ų6726%0.25735%0.352SS..EExtended strand (participates in β ladder)trans-162147.2-174.8-172.4174.316772.90111.7F229 K252 W318 A321F229-K231 VanDerWaalsContact CZ-C 3.46Å; K231-K252 HydrophobicContact CB-CB 4.41Å; K231-K252 PolarHBondContact N-O 2.88Å; K231-K252 WeakPolarHBondContact O-CB 3.44Å; K231-K252 PolarHBondContact O-N 3.05Å; K231-W318 HydrophobicContact CB-CH2 4.24Å; K231-W318 HydrophobicContact CB-CZ3 4.03Å; K231-W318 HydrophobicContact CD-CD2 3.97Å; K231-W318 HydrophobicContact CD-CE3 3.78Å; K231-W318 HydrophobicContact CD-CH2 4.1Å; K231-W318 HydrophobicContact CD-CZ2 4.26Å; K231-W318 HydrophobicContact CD-CZ3 3.85Å; K231-W318 VanDerWaalsContact CE-CD2 3.48Å; K231-W318 VanDerWaalsContact CE-CE2 3.43Å; K231-W318 HydrophobicContact CG-CE3 4.31Å; K231-W318 HydrophobicContact CG-CH2 3.77Å; K231-W318 HydrophobicContact CG-CZ2 4.16Å; K231-W318 HydrophobicContact CG-CZ3 3.85Å; K231-A321 HydrophobicContact CD-CB 4.21Å
232E94.9Very high75.7Confident56 Ų5665.7 Ų65.726%0.26235%0.345SS..EExtended strand (participates in β ladder)trans-130.5161.9169.568.3-165.6157.100112.2K208 F229 Y249 L250 L251K208-E232 IonicContact NZ-OE1 2.92Å; K208-E232 PolarHBondContact NZ-OE1 3.06Å; K208-E232 IonicContact NZ-OE2 3.58Å; F229-E232 HydrophobicContact CE2-CB 3.91Å; F229-E232 HydrophobicContact CE2-CG 4.44Å; F229-E232 HydrophobicContact CZ-CB 3.64Å; F229-E232 HydrophobicContact CZ-CG 3.74Å; E232-Y249 HydrophobicContact CB-CE1 3.86Å; E232-Y249 HydrophobicContact CG-CE1 4.34Å; E232-Y249 WeakPolarHBondContact CG-OH 3.45Å; E232-L250 WeakPolarHBondContact CA-O 3.47Å; E232-L251 HydrophobicContact CB-CD2 3.8Å
233G94.1Very high76Confident14 Ų1470.3 Ų70.314%0.14437%0.373CS..EExtended strand (participates in β ladder)trans163.7167.5172.100000115L250G233-L250 PolarHBondContact N-O 3.1Å; G233-L250 PolarHBondContact O-N 3.1Å
234H93.9Very high77.4Confident101 Ų10170 Ų7047%0.46837%0.374SS..EExtended strand (participates in β ladder)trans-72.3145174.2-74-94000111.5D247 R248 Y249H234-D247 IonicContact ND1-OD1 3.76Å; H234-D247 IonicContact ND1-OD2 3.5Å; H234-R248 CarbonylContact C-O 3.55Å; H234-R248 WeakPolarHBondContact CA-O 3.25Å; H234-Y249 AromaticContact CD2-CD2 3.74Å; H234-Y249 AromaticContact CD2-CE2 3.61Å; H234-Y249 AromaticContact CE1-CD2 3.94Å; H234-Y249 AromaticContact CG-CD2 3.92Å; H234-Y249 AromaticContact NE2-CD2 3.74Å; H234-Y249 AromaticContact NE2-CE2 3.67Å
235I95.1Very high79.1Confident4 Ų468.4 Ų68.42%0.02137%0.37CS..EExtended strand (participates in β ladder)trans-149.5146.1177.7-155.773.5000110.1R248 L250 F296 L307 Q308 A309I235-R248 HydrophobicContact CG2-CB 3.89Å; I235-R248 PolarHBondContact N-O 3.38Å; I235-R248 WeakPolarHBondContact O-CB 3.47Å; I235-R248 PolarHBondContact O-N 2.92Å; I235-L250 HydrophobicContact CB-CD1 4.14Å; I235-L250 HydrophobicContact CB-CG 4.22Å; I235-L250 HydrophobicContact CG1-CD1 4.29Å; I235-L250 HydrophobicContact CG2-CD1 3.88Å; I235-L250 HydrophobicContact CG2-CD2 4.04Å; I235-L250 HydrophobicContact CG2-CG 3.62Å; I235-F296 HydrophobicContact CD1-CE1 3.92Å; I235-F296 HydrophobicContact CD1-CZ 4.08Å; I235-L307 HydrophobicContact CG1-CB 3.88Å; I235-L307 HydrophobicContact CG1-CD1 4.42Å; I235-L307 HydrophobicContact CG1-CD2 4.16Å; I235-L307 HydrophobicContact CG1-CG 4.37Å; I235-L307 HydrophobicContact CG2-CD2 3.94Å; I235-Q308 VanDerWaalsContact CD1-O 3.3Å; I235-Q308 WeakPolarHBondContact CD1-O 3.43Å; I235-A309 HydrophobicContact CD1-CB 4.21Å
236M93.3Very high81.3Confident55 Ų5566 Ų6627%0.27135%0.349SS..EExtended strand (participates in β ladder)trans-92126.9171.6-65.2-58.8-64.200109.5T245 D247 L307 Q308M236-T245 WeakPolarHBondContact CE-OG1 3.17Å; M236-D247 HydrophobicContact SD-CB 3.96Å; M236-L307 CarbonylContact O-C 3.57Å; M236-L307 WeakPolarHBondContact O-CA 3.48Å; M236-Q308 HydrophobicContact CB-CB 4.05Å; M236-Q308 PolarHBondContact N-O 3.38Å; M236-Q308 PolarHBondContact O-N 2.88Å
237K91.9Very high83.1Confident55 Ų5566.4 Ų66.424%0.23935%0.347CS..EExtended strand (participates in β ladder)trans-96.3123.1174.9-173.8-108.8-172.7165.30110.3M246 R248 Y259 L307K237-M246 PolarHBondContact N-O 3.02Å; K237-M246 PolarHBondContact O-N 2.88Å; K237-R248 HydrophobicContact CB-CG 3.99Å; K237-Y259 HydrophobicContact CB-CE2 4.05Å; K237-Y259 WeakPolarHBondContact CB-OH 3.19Å; K237-Y259 VanDerWaalsContact CD-OH 3.27Å; K237-Y259 WeakPolarHBondContact CD-OH 3.46Å; K237-Y259 HydrophobicContact CG-CE2 4.05Å; K237-Y259 VanDerWaalsContact CG-OH 3.3Å; K237-Y259 WeakPolarHBondContact CG-OH 3.42Å; K237-L307 HydrophobicContact CB-CD2 4.27Å; K237-L307 HydrophobicContact CG-CD2 4.36Å
238L89.2Confident84.7Confident14 Ų1468.2 Ų68.27%0.07335%0.353CS..EExtended strand (participates in β ladder)trans-80.5130.1177.1-55.9-174.1000110.1T245 H292 T295 E306 Q308L238-T245 HydrophobicContact CD2-CG2 3.49Å; L238-T245 VanDerWaalsContact CD2-CG2 3.49Å; L238-H292 HydrophobicContact CD1-CB 4.03Å; L238-H292 HydrophobicContact CD2-CB 4.47Å; L238-T295 HydrophobicContact CD1-CG2 3.68Å; L238-E306 HydrophobicContact CB-CB 4.14Å; L238-E306 HydrophobicContact CB-CG 4.05Å; L238-E306 HydrophobicContact CD1-CG 3.95Å; L238-E306 HydrophobicContact CG-CG 4.32Å; L238-E306 PolarHBondContact N-O 3.42Å; L238-Q308 HydrophobicContact CD2-CB 4.34Å
239A79.8Confident85.6Confident16 Ų1664.5 Ų64.513%0.13234%0.335CS..PPolyproline II helixtrans-80.4130.4176.400000111.1R241 N242 S244 M246A239-R241 PolarHBondContact O-N 3.4Å; A239-N242 WeakPolarHBondContact CB-OD1 2.8Å; A239-S244 VanDerWaalsContact CB-O 3.29Å; A239-S244 WeakPolarHBondContact CB-O 3.39Å; A239-S244 WeakPolarHBondContact CB-OG 3.44Å; A239-S244 PolarHBondContact N-O 2.83Å; A239-M246 HydrophobicContact CB-CE 4.42Å
240A69.1Low86Confident110 Ų11062.3 Ų62.391%0.90933%0.325SS*.THydrogen-bonded Turntrans-65.1-13.3-174.500000115.6
241R65.4Low86.1Confident246 Ų24658.9 Ų58.993%0.92831%0.308SS*.THydrogen-bonded Turntrans-120.9-18.2-169.7-75.5-173.6175.1170.4-1.9115.9A239A239-R241 PolarHBondContact O-N 3.4Å
242N64.2Low86.1Confident103 Ų10356.1 Ų56.155%0.55130%0.296SS*.THydrogen-bonded Turntrans-147.422.5-168.570-15.3000114.2A239 S244A239-N242 WeakPolarHBondContact CB-OD1 2.8Å; N242-S244 PolarHBondContact ND2-OG 3.11Å; N242-S244 PolarHBondContact O-N 2.96Å; N242-S244 PolarHBondContact OD1-OG 3.03Å
243T64.2Low85.9Confident97 Ų9753.4 Ų53.460%0.59528%0.283SS*.  trans50.87.9178.751.10000116
244S77.8Confident85.3Confident39 Ų3954.6 Ų54.627%0.27329%0.286SS..  trans-72.4138.7178.666.10000110.9A239 N242A239-S244 VanDerWaalsContact CB-O 3.29Å; A239-S244 WeakPolarHBondContact CB-O 3.39Å; A239-S244 WeakPolarHBondContact CB-OG 3.44Å; A239-S244 PolarHBondContact N-O 2.83Å; N242-S244 PolarHBondContact ND2-OG 3.11Å; N242-S244 PolarHBondContact O-N 2.96Å; N242-S244 PolarHBondContact OD1-OG 3.03Å
245T82.8Confident84.6Confident60 Ų6052.1 Ų52.137%0.36828%0.276SS..EExtended strand (participates in β ladder)trans-101.7133.7178.363.60000109.8M236 L238 H292M236-T245 WeakPolarHBondContact CE-OG1 3.17Å; L238-T245 HydrophobicContact CD2-CG2 3.49Å; L238-T245 VanDerWaalsContact CD2-CG2 3.49Å; T245-H292 WeakPolarHBondContact CG2-CE1 3.48Å
246M88.4Confident84.3Confident69 Ų6951.9 Ų51.934%0.3428%0.275SS..EExtended strand (participates in β ladder)trans-120.5126.8-179.1-53.6-179.1175.500111.3K237 A239 R248K237-M246 PolarHBondContact N-O 3.02Å; K237-M246 PolarHBondContact O-N 2.88Å; A239-M246 HydrophobicContact CB-CE 4.42Å; M246-R248 WeakPolarHBondContact O-CG 3.09Å; M246-R248 PolarHBondContact SD-NH2 2.75Å
247D90.1Very high84.3Confident69 Ų6949.3 Ų49.337%0.36926%0.262SS..EExtended strand (participates in β ladder)trans-69.3132.2177.8179.845.5000111.9H234 M236H234-D247 IonicContact ND1-OD1 3.76Å; H234-D247 IonicContact ND1-OD2 3.5Å; M236-D247 HydrophobicContact SD-CB 3.96Å
248R93.6Very high84.4Confident43 Ų4346.7 Ų46.716%0.16225%0.251CS..EExtended strand (participates in β ladder)trans-146.3164.6-170.8-65.1-68.5-175.5-86.3-2.3110.4H234 I235 K237 M246 Y259 C260H234-R248 CarbonylContact C-O 3.55Å; H234-R248 WeakPolarHBondContact CA-O 3.25Å; I235-R248 HydrophobicContact CG2-CB 3.89Å; I235-R248 PolarHBondContact N-O 3.38Å; I235-R248 WeakPolarHBondContact O-CB 3.47Å; I235-R248 PolarHBondContact O-N 2.92Å; K237-R248 HydrophobicContact CB-CG 3.99Å; M246-R248 WeakPolarHBondContact O-CG 3.09Å; M246-R248 PolarHBondContact SD-NH2 2.75Å; R248-Y259 HydrophobicContact CB-CD2 4.34Å; R248-Y259 HydrophobicContact CB-CE2 3.72Å; R248-Y259 VanDerWaalsContact CD-CZ 3.41Å; R248-Y259 VanDerWaalsContact CD-OH 3.27Å; R248-Y259 WeakPolarHBondContact CD-OH 3.26Å; R248-Y259 HydrophobicContact CG-CD2 4.43Å; R248-Y259 HydrophobicContact CG-CE2 3.43Å; R248-Y259 VanDerWaalsContact CG-CE2 3.43Å; R248-Y259 VanDerWaalsContact CG-OH 3.29Å; R248-Y259 WeakPolarHBondContact CG-OH 3.36Å; R248-Y259 VanDerWaalsContact NE-CZ 3.35Å; R248-Y259 PolarHBondContact NE-OH 2.85Å; R248-C260 VanDerWaalsContact CD-O 3.25Å; R248-C260 WeakPolarHBondContact CD-O 3.28Å
249Y94.7Very high84.5Confident27 Ų2746.5 Ų46.511%0.10625%0.25CC..EExtended strand (participates in β ladder)trans-125.6134.4176.6-156.4-99.5000110.1M215 E232 H234 L251 C260 Y271M215-Y249 HydrophobicContact SD-CE1 4.41Å; E232-Y249 HydrophobicContact CB-CE1 3.86Å; E232-Y249 HydrophobicContact CG-CE1 4.34Å; E232-Y249 WeakPolarHBondContact CG-OH 3.45Å; H234-Y249 AromaticContact CD2-CD2 3.74Å; H234-Y249 AromaticContact CD2-CE2 3.61Å; H234-Y249 AromaticContact CE1-CD2 3.94Å; H234-Y249 AromaticContact CG-CD2 3.92Å; H234-Y249 AromaticContact NE2-CD2 3.74Å; H234-Y249 AromaticContact NE2-CE2 3.67Å; Y249-L251 HydrophobicContact CD1-CD2 4.29Å; Y249-L251 HydrophobicContact CD1-CG 4.29Å; Y249-L251 HydrophobicContact CE1-CD2 3.91Å; Y249-L251 HydrophobicContact CE1-CG 4.41Å; Y249-C260 PolarHBondContact N-O 3.13Å; Y249-C260 VanDerWaalsContact N-O 3.13Å; Y249-C260 WeakPolarHBondContact O-CB 3.19Å; Y249-C260 PolarHBondContact O-N 3.24Å; Y249-Y271 HydrophobicContact CD1-CD2 4.36Å; Y249-Y271 HydrophobicContact CD1-CE1 4.37Å; Y249-Y271 HydrophobicContact CD1-CE2 4.05Å; Y249-Y271 AromaticContact CD2-CE1 3.99Å; Y249-Y271 HydrophobicContact CD2-CE1 3.99Å; Y249-Y271 HydrophobicContact CD2-CE2 4.38Å; Y249-Y271 AromaticContact CD2-CZ 3.65Å; Y249-Y271 WeakPolarHBondContact CD2-OH 3.31Å; Y249-Y271 HydrophobicContact CE1-CE2 4.32Å; Y249-Y271 HydrophobicContact CG-CD1 4.22Å; Y249-Y271 AromaticContact CG-CE1 3.67Å; Y249-Y271 HydrophobicContact CG-CE1 3.67Å; Y249-Y271 HydrophobicContact CG-CE2 4.07Å; Y249-Y271 AromaticContact CG-CZ 3.58Å
250L96.1Very high85.1Confident0 Ų045.8 Ų45.80%024%0.243CC..EExtended strand (participates in β ladder)trans-107.7138.8178-63.1-175.9000110.3E232 G233 I235 L257 L258 Y259 L307 W318E232-L250 WeakPolarHBondContact CA-O 3.47Å; G233-L250 PolarHBondContact N-O 3.1Å; G233-L250 PolarHBondContact O-N 3.1Å; I235-L250 HydrophobicContact CB-CD1 4.14Å; I235-L250 HydrophobicContact CB-CG 4.22Å; I235-L250 HydrophobicContact CG1-CD1 4.29Å; I235-L250 HydrophobicContact CG2-CD1 3.88Å; I235-L250 HydrophobicContact CG2-CD2 4.04Å; I235-L250 HydrophobicContact CG2-CG 3.62Å; L250-L257 HydrophobicContact CB-CD1 4.16Å; L250-L257 HydrophobicContact CD1-CD1 4.49Å; L250-L257 HydrophobicContact CD2-CD1 4.24Å; L250-L258 WeakPolarHBondContact CA-O 3.34Å; L250-Y259 HydrophobicContact CD2-CD2 3.85Å; L250-L307 HydrophobicContact CD1-CD1 3.94Å; L250-W318 HydrophobicContact CB-CH2 3.68Å; L250-W318 HydrophobicContact CB-CZ2 4.16Å; L250-W318 HydrophobicContact CB-CZ3 4.23Å; L250-W318 HydrophobicContact CD1-CE3 4.5Å; L250-W318 HydrophobicContact CD1-CH2 4.29Å; L250-W318 HydrophobicContact CD1-CZ2 4.41Å; L250-W318 HydrophobicContact CD1-CZ3 4.34Å
251L95.1Very high86.1Confident0 Ų041.2 Ų41.20%020%0.204CC..EExtended strand (participates in β ladder)trans-123.4111.2167.6-60.7159000107.7I212 L216 F229 E232 Y249 F253 L258I212-L251 HydrophobicContact CD1-CD2 4.33Å; I212-L251 HydrophobicContact CG1-CD2 4.28Å; I212-L251 HydrophobicContact CG2-CD1 3.55Å; I212-L251 HydrophobicContact CG2-CD2 4.02Å; I212-L251 HydrophobicContact CG2-CG 4.35Å; L216-L251 HydrophobicContact CD1-CD1 4.14Å; L216-L251 HydrophobicContact CD2-CD1 3.91Å; L216-L251 HydrophobicContact CG-CD1 4.26Å; F229-L251 HydrophobicContact CE2-CD2 4.24Å; E232-L251 HydrophobicContact CB-CD2 3.8Å; Y249-L251 HydrophobicContact CD1-CD2 4.29Å; Y249-L251 HydrophobicContact CD1-CG 4.29Å; Y249-L251 HydrophobicContact CE1-CD2 3.91Å; Y249-L251 HydrophobicContact CE1-CG 4.41Å; L251-F253 HydrophobicContact CB-CE2 3.82Å; L251-F253 HydrophobicContact CB-CZ 4.46Å; L251-L258 HydrophobicContact CB-CB 4.19Å; L251-L258 HydrophobicContact CD1-CD1 4.36Å; L251-L258 PolarHBondContact N-O 2.83Å; L251-L258 PolarHBondContact O-N 3.5Å
252K94.9Very high87.1Confident0 Ų032.7 Ų32.70%018%0.181CC..EExtended strand (participates in β ladder)trans-99.2126.9-179.8-178.663.8178.8116.30110.2I230 K231 M256 L257 W318 F322I230-K252 WeakPolarHBondContact CA-O 3.23Å; I230-K252 HydrophobicContact CB-CB 4.44Å; I230-K252 HydrophobicContact CB-CG 4.06Å; I230-K252 WeakPolarHBondContact CB-O 3.2Å; I230-K252 HydrophobicContact CG2-CG 4.32Å; I230-K252 PolarHBondContact N-O 2.76Å; K231-K252 HydrophobicContact CB-CB 4.41Å; K231-K252 PolarHBondContact N-O 2.88Å; K231-K252 WeakPolarHBondContact O-CB 3.44Å; K231-K252 PolarHBondContact O-N 3.05Å; K252-M256 PolarHBondContact NZ-O 2.74Å; K252-L257 HydrophobicContact CB-CD1 4.24Å; K252-L257 HydrophobicContact CD-CB 4.28Å; K252-L257 HydrophobicContact CD-CD1 4.15Å; K252-W318 HydrophobicContact CB-CZ3 4.08Å; K252-F322 HydrophobicContact CD-CD1 3.93Å; K252-F322 HydrophobicContact CD-CE1 3.56Å; K252-F322 HydrophobicContact CD-CZ 4.27Å
253F90.9Very high87.8Confident0 Ų032.4 Ų32.40%017%0.174CC..EExtended strand (participates in β ladder)trans-115.6167.2173.5-61.7-93000110.6L209 I212 I222 N227 E228 F229 L251 N255 M256 L258L209-F253 HydrophobicContact CD2-CD1 4.1Å; L209-F253 HydrophobicContact CD2-CE1 3.52Å; I212-F253 HydrophobicContact CD1-CE1 4.21Å; I212-F253 HydrophobicContact CD1-CZ 3.98Å; I212-F253 HydrophobicContact CG2-CZ 4.27Å; I222-F253 HydrophobicContact CD1-CZ 4.18Å; N227-F253 HydrophobicContact CB-CD1 4.43Å; E228-F253 CarbonylContact O-C 3.55Å; E228-F253 WeakPolarHBondContact O-CA 3.24Å; F229-F253 HydrophobicContact CB-CD1 4.44Å; F229-F253 HydrophobicContact CB-CE1 4.34Å; F229-F253 HydrophobicContact CD2-CE1 4.26Å; F229-F253 HydrophobicContact CD2-CZ 4.46Å; L251-F253 HydrophobicContact CB-CE2 3.82Å; L251-F253 HydrophobicContact CB-CZ 4.46Å; F253-N255 PolarHBondContact O-N 3.05Å; F253-M256 HydrophobicContact CB-CG 3.96Å; F253-M256 HydrophobicContact CD2-CE 4.19Å; F253-M256 HydrophobicContact CD2-CG 4.02Å; F253-M256 HydrophobicContact CG-CE 4.21Å; F253-M256 HydrophobicContact CG-CG 4.27Å; F253-M256 PolarHBondContact N-O 3.37Å; F253-M256 VanDerWaalsContact O-O 3.05Å; F253-L258 HydrophobicContact CD2-CD1 4.47Å; F253-L258 HydrophobicContact CD2-CG 4.35Å; F253-L258 HydrophobicContact CE2-CD1 3.68Å; F253-L258 HydrophobicContact CE2-CG 3.97Å; F253-L258 HydrophobicContact CZ-CD1 4.43Å
254N81.7Confident88.2Confident39 Ų3937 Ų3721%0.20919%0.186CC..SBendtrans-58.8-29.3176.263.7-13000114S226 E228 I230 T325S226-N254 PolarHBondContact O-ND2 3.01Å; S226-N254 PolarHBondContact O-OD1 3.48Å; E228-N254 HydrophobicContact CB-CB 4.11Å; E228-N254 PolarHBondContact N-OD1 3.15Å; E228-N254 VanDerWaalsContact N-OD1 3.1Å; E228-N254 PolarHBondContact O-N 2.77Å; E228-N254 PolarHBondContact OE2-ND2 2.81Å; I230-N254 HydrophobicContact CD1-CB 4.36Å; N254-T325 WeakPolarHBondContact O-CG2 3.43Å
255N77.6Confident87.7Confident48 Ų4837.2 Ų37.226%0.25719%0.188SC..SBendtrans-113.7-8.1-176.463.6-9.3000114.9N227 F253 I279N227-N255 PolarHBondContact OD1-ND2 3.34Å; N227-N255 PolarHBondContact OD1-OD1 3.36Å; F253-N255 PolarHBondContact O-N 3.05Å; N255-I279 WeakPolarHBondContact O-CB 3.17Å; N255-I279 WeakPolarHBondContact O-CG2 3.43Å; N255-I279 PolarHBondContact O-N 2.93Å
256M89.8Confident86.4Confident0 Ų042.7 Ų42.70%021%0.214CC..EExtended strand (participates in β ladder)trans-159166.3-176.263.5-173.8156.800113.6I222 K252 F253 L258 R276 I277I222-M256 HydrophobicContact CG2-CE 4.24Å; K252-M256 PolarHBondContact NZ-O 2.74Å; F253-M256 HydrophobicContact CB-CG 3.96Å; F253-M256 HydrophobicContact CD2-CE 4.19Å; F253-M256 HydrophobicContact CD2-CG 4.02Å; F253-M256 HydrophobicContact CG-CE 4.21Å; F253-M256 HydrophobicContact CG-CG 4.27Å; F253-M256 PolarHBondContact N-O 3.37Å; F253-M256 VanDerWaalsContact O-O 3.05Å; M256-L258 HydrophobicContact CG-CD2 4.48Å; M256-L258 HydrophobicContact SD-CD2 4Å; M256-R276 HydrophobicContact CB-CG 4.48Å; M256-R276 HydrophobicContact SD-CG 4.4Å; M256-R276 PolarHBondContact SD-NE 3.5Å; M256-R276 PolarHBondContact SD-NH2 2.87Å; M256-I277 CarbonylContact C-O 3.59Å; M256-I277 WeakPolarHBondContact CA-O 3.37Å
257L93.9Very high84.8Confident0 Ų042.8 Ų42.80%023%0.233CC..EExtended strand (participates in β ladder)trans-119.5130.5166.1174.170.4000108.7L250 K252 R276 I277 M282 V298 F322L250-L257 HydrophobicContact CB-CD1 4.16Å; L250-L257 HydrophobicContact CD1-CD1 4.49Å; L250-L257 HydrophobicContact CD2-CD1 4.24Å; K252-L257 HydrophobicContact CB-CD1 4.24Å; K252-L257 HydrophobicContact CD-CB 4.28Å; K252-L257 HydrophobicContact CD-CD1 4.15Å; L257-R276 WeakPolarHBondContact O-CA 3.5Å; L257-I277 HydrophobicContact CB-CB 4.36Å; L257-I277 HydrophobicContact CD2-CD1 4.42Å; L257-I277 PolarHBondContact N-O 2.87Å; L257-I277 PolarHBondContact O-N 3.29Å; L257-M282 HydrophobicContact CB-CE 3.83Å; L257-V298 HydrophobicContact CD2-CG1 4.09Å; L257-F322 HydrophobicContact CB-CE1 4.31Å; L257-F322 HydrophobicContact CD1-CE1 4.02Å; L257-F322 HydrophobicContact CD1-CZ 3.79Å; L257-F322 HydrophobicContact CD2-CE1 3.84Å; L257-F322 HydrophobicContact CD2-CZ 3.75Å; L257-F322 HydrophobicContact CG-CE1 4.28Å; L257-F322 HydrophobicContact CG-CZ 4.31Å
258L92.6Very high83.7Confident1 Ų141.8 Ų41.81%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-102.2125.9168.5-49.3179.7000109.4L216 I222 L250 L251 F253 M256 V273 R276L216-L258 HydrophobicContact CD1-CD1 3.93Å; I222-L258 HydrophobicContact CG2-CD1 3.88Å; L250-L258 WeakPolarHBondContact CA-O 3.34Å; L251-L258 HydrophobicContact CB-CB 4.19Å; L251-L258 HydrophobicContact CD1-CD1 4.36Å; L251-L258 PolarHBondContact N-O 2.83Å; L251-L258 PolarHBondContact O-N 3.5Å; F253-L258 HydrophobicContact CD2-CD1 4.47Å; F253-L258 HydrophobicContact CD2-CG 4.35Å; F253-L258 HydrophobicContact CE2-CD1 3.68Å; F253-L258 HydrophobicContact CE2-CG 3.97Å; F253-L258 HydrophobicContact CZ-CD1 4.43Å; M256-L258 HydrophobicContact CG-CD2 4.48Å; M256-L258 HydrophobicContact SD-CD2 4Å; L258-V273 HydrophobicContact CB-CG1 4.37Å; L258-V273 HydrophobicContact CB-CG2 4.32Å; L258-V273 HydrophobicContact CD1-CG2 4.18Å; L258-V273 HydrophobicContact CD2-CG1 4.27Å; L258-R276 HydrophobicContact CD2-CB 4.15Å; L258-R276 HydrophobicContact CD2-CG 3.92Å
259Y91.4Very high82.8Confident10 Ų1044.5 Ų44.54%0.03926%0.261CS..EExtended strand (participates in β ladder)trans-104.5115.4174.9168.2-96.9000109K237 R248 L250 R274 T275 L305K237-Y259 HydrophobicContact CB-CE2 4.05Å; K237-Y259 WeakPolarHBondContact CB-OH 3.19Å; K237-Y259 VanDerWaalsContact CD-OH 3.27Å; K237-Y259 WeakPolarHBondContact CD-OH 3.46Å; K237-Y259 HydrophobicContact CG-CE2 4.05Å; K237-Y259 VanDerWaalsContact CG-OH 3.3Å; K237-Y259 WeakPolarHBondContact CG-OH 3.42Å; R248-Y259 HydrophobicContact CB-CD2 4.34Å; R248-Y259 HydrophobicContact CB-CE2 3.72Å; R248-Y259 VanDerWaalsContact CD-CZ 3.41Å; R248-Y259 VanDerWaalsContact CD-OH 3.27Å; R248-Y259 WeakPolarHBondContact CD-OH 3.26Å; R248-Y259 HydrophobicContact CG-CD2 4.43Å; R248-Y259 HydrophobicContact CG-CE2 3.43Å; R248-Y259 VanDerWaalsContact CG-CE2 3.43Å; R248-Y259 VanDerWaalsContact CG-OH 3.29Å; R248-Y259 WeakPolarHBondContact CG-OH 3.36Å; R248-Y259 VanDerWaalsContact NE-CZ 3.35Å; R248-Y259 PolarHBondContact NE-OH 2.85Å; L250-Y259 HydrophobicContact CD2-CD2 3.85Å; Y259-R274 HydrophobicContact CD1-CB 3.79Å; Y259-R274 HydrophobicContact CE1-CB 4Å; Y259-R274 PolarHBondContact O-N 3.34Å; Y259-T275 PolarHBondContact N-O 3.07Å; Y259-T275 PolarHBondContact O-N 3.42Å; Y259-L305 HydrophobicContact CD2-CD1 3.74Å; Y259-L305 HydrophobicContact CE2-CD1 4.37Å; Y259-L305 HydrophobicContact CE2-CD2 4.5Å; Y259-L305 HydrophobicContact CG-CD1 3.88Å
260C93Very high82.2Confident0 Ų046.6 Ų46.60%027%0.27CS..EExtended strand (participates in β ladder)trans-118.9151.6-165.8-44.60000112.2R248 Y249 Y271 T272R248-C260 VanDerWaalsContact CD-O 3.25Å; R248-C260 WeakPolarHBondContact CD-O 3.28Å; Y249-C260 PolarHBondContact N-O 3.13Å; Y249-C260 VanDerWaalsContact N-O 3.13Å; Y249-C260 WeakPolarHBondContact O-CB 3.19Å; Y249-C260 PolarHBondContact O-N 3.24Å; C260-Y271 HydrophobicContact CB-CD1 4.42Å; C260-Y271 HydrophobicContact CB-CG 4.34Å; C260-T272 CarbonylContact C-O 3.56Å; C260-T272 VanDerWaalsContact CA-O 3.27Å; C260-T272 WeakPolarHBondContact CA-O 3.46Å
261V90.8Very high81.9Confident15 Ų1547.2 Ų47.29%0.09127%0.273CS..EExtended strand (participates in β ladder)trans-110.7144.7169.9-680000110.2Y271 T272 R274V261-Y271 CarbonylContact O-C 3.53Å; V261-Y271 VanDerWaalsContact O-CA 3.23Å; V261-Y271 WeakPolarHBondContact O-CA 3.31Å; V261-T272 PolarHBondContact N-O 3.08Å; V261-T272 PolarHBondContact O-N 3.09Å; V261-R274 HydrophobicContact CB-CG 4.18Å; V261-R274 HydrophobicContact CG1-CG 3.48Å; V261-R274 VanDerWaalsContact CG1-CG 3.48Å; V261-R274 HydrophobicContact CG2-CG 3.75Å
262P85.5Confident81.5Confident66 Ų6649 Ų4943%0.42928%0.284SS..EExtended strand (participates in β ladder)trans-59.2138.8171.4-20.431.6000111.2Y271P262-Y271 HydrophobicContact CB-CD1 4.43Å; P262-Y271 HydrophobicContact CB-CE1 4.41Å; P262-Y271 HydrophobicContact CG-CD1 4.37Å; P262-Y271 HydrophobicContact CG-CE1 4.17Å
263K80Confident81.3Confident97 Ų9750 Ų5042%0.42229%0.29SS..EExtended strand (participates in β ladder)trans-117.5126.4172.6-173.7-179.9-173.5172.40107.5E219 S265 K270E219-K263 IonicContact OE1-NZ 3.52Å; K263-S265 PolarHBondContact O-N 3.19Å; K263-K270 HydrophobicContact CB-CB 4.32Å; K263-K270 PolarHBondContact N-O 2.97Å
264F70.8Confident81.1Confident193 Ų19358 Ų5885%0.84632%0.32SS*.  trans-62.9129.5176.2-176.4-95.3000110
265S67.4Low81.3Confident45 Ų4556.7 Ų56.732%0.31531%0.314SS..  trans-147.5145.6176.8-169.40000110.2K263 G267K263-S265 PolarHBondContact O-N 3.19Å; S265-G267 PolarHBondContact O-N 3.21Å
266L55.3Low81.6Confident174 Ų17460.4 Ų60.491%0.91132%0.324SS*.THydrogen-bonded Turntrans-74-12.9178.5-76.9149.2000113.1
267G56.1Low81.5Confident71 Ų7160.8 Ų60.873%0.73233%0.326SS*.THydrogen-bonded Turntrans-118.331.9-171.500000115.2S265S265-G267 PolarHBondContact O-N 3.21Å
268G66.4Low81Confident49 Ų4962.5 Ų62.551%0.50534%0.344SS..SBendtrans112178.1-179.400000113.8K270G268-K270 PolarHBondContact O-N 2.92Å
269T74.2Confident80.6Confident99 Ų9962.8 Ų62.861%0.60735%0.345SS*.  trans-74.4112.3-177.5-45.80000110.4Y271T269-Y271 HydrophobicContact CG2-CE1 4.2Å; T269-Y271 HydrophobicContact CG2-CE2 3.82Å; T269-Y271 WeakPolarHBondContact CG2-OH 3.43Å
270K83.4Confident80Confident71 Ų7163.7 Ų63.731%0.30935%0.351SS..EExtended strand (participates in β ladder)trans-105.1154.3172.2-65-160177.4-156.50110.6M215 K263 G268M215-K270 WeakPolarHBondContact O-CA 3.32Å; K263-K270 HydrophobicContact CB-CB 4.32Å; K263-K270 PolarHBondContact N-O 2.97Å; G268-K270 PolarHBondContact O-N 2.92Å
271Y88.3Confident79.2Confident13 Ų1365.5 Ų65.55%0.05137%0.369CS..EExtended strand (participates in β ladder)trans-126.6159.6174.9-58.5-88.2000111.6M215 Y249 C260 V261 P262 T269M215-Y271 HydrophobicContact CG-CD2 3.68Å; M215-Y271 HydrophobicContact CG-CE2 4.1Å; M215-Y271 PolarHBondContact O-N 3.48Å; M215-Y271 HydrophobicContact SD-CD2 3.5Å; M215-Y271 WeakPolarHBondContact SD-CD2 3.38Å; M215-Y271 HydrophobicContact SD-CE2 3.62Å; Y249-Y271 HydrophobicContact CD1-CD2 4.36Å; Y249-Y271 HydrophobicContact CD1-CE1 4.37Å; Y249-Y271 HydrophobicContact CD1-CE2 4.05Å; Y249-Y271 AromaticContact CD2-CE1 3.99Å; Y249-Y271 HydrophobicContact CD2-CE1 3.99Å; Y249-Y271 HydrophobicContact CD2-CE2 4.38Å; Y249-Y271 AromaticContact CD2-CZ 3.65Å; Y249-Y271 WeakPolarHBondContact CD2-OH 3.31Å; Y249-Y271 HydrophobicContact CE1-CE2 4.32Å; Y249-Y271 HydrophobicContact CG-CD1 4.22Å; Y249-Y271 AromaticContact CG-CE1 3.67Å; Y249-Y271 HydrophobicContact CG-CE1 3.67Å; Y249-Y271 HydrophobicContact CG-CE2 4.07Å; Y249-Y271 AromaticContact CG-CZ 3.58Å; C260-Y271 HydrophobicContact CB-CD1 4.42Å; C260-Y271 HydrophobicContact CB-CG 4.34Å; V261-Y271 CarbonylContact O-C 3.53Å; V261-Y271 VanDerWaalsContact O-CA 3.23Å; V261-Y271 WeakPolarHBondContact O-CA 3.31Å; P262-Y271 HydrophobicContact CB-CD1 4.43Å; P262-Y271 HydrophobicContact CB-CE1 4.41Å; P262-Y271 HydrophobicContact CG-CD1 4.37Å; P262-Y271 HydrophobicContact CG-CE1 4.17Å; T269-Y271 HydrophobicContact CG2-CE1 4.2Å; T269-Y271 HydrophobicContact CG2-CE2 3.82Å; T269-Y271 WeakPolarHBondContact CG2-OH 3.43Å
272T88.3Confident79.2Confident39 Ų3965 Ų6524%0.23937%0.366CS..EExtended strand (participates in β ladder)trans-122.3132.4170.2-57.60000109.1C260 V261 R274C260-T272 CarbonylContact C-O 3.56Å; C260-T272 VanDerWaalsContact CA-O 3.27Å; C260-T272 WeakPolarHBondContact CA-O 3.46Å; V261-T272 PolarHBondContact N-O 3.08Å; V261-T272 PolarHBondContact O-N 3.09Å; T272-R274 PolarHBondContact O-N 2.89Å
273V89.1Confident79.5Confident21 Ų2167.4 Ų67.413%0.12737%0.369CS..EExtended strand (participates in β ladder)trans-69.8121.9176.5-178.70000109L216 E220 L258L216-V273 HydrophobicContact CD1-CG2 3.97Å; L216-V273 HydrophobicContact CD2-CG2 3.84Å; L216-V273 HydrophobicContact CG-CG2 4.47Å; E220-V273 HydrophobicContact CG-CB 4.23Å; E220-V273 HydrophobicContact CG-CG2 3.67Å; L258-V273 HydrophobicContact CB-CG1 4.37Å; L258-V273 HydrophobicContact CB-CG2 4.32Å; L258-V273 HydrophobicContact CD1-CG2 4.18Å; L258-V273 HydrophobicContact CD2-CG1 4.27Å
274R87.9Confident80.2Confident166 Ų16663.5 Ų63.563%0.62635%0.354SS*.EExtended strand (participates in β ladder)trans-97.4-29.8174.8-74.5-62.2-169.6149.90.7112.5Y259 V261 T272Y259-R274 HydrophobicContact CD1-CB 3.79Å; Y259-R274 HydrophobicContact CE1-CB 4Å; Y259-R274 PolarHBondContact O-N 3.34Å; V261-R274 HydrophobicContact CB-CG 4.18Å; V261-R274 HydrophobicContact CG1-CG 3.48Å; V261-R274 VanDerWaalsContact CG1-CG 3.48Å; V261-R274 HydrophobicContact CG2-CG 3.75Å; T272-R274 PolarHBondContact O-N 2.89Å
275T85.3Confident81.4Confident12 Ų1261.4 Ų61.47%0.07434%0.34CS..EExtended strand (participates in β ladder)trans-153.4133.1-176.7-64.10000109.1Y259 I277 R303Y259-T275 PolarHBondContact N-O 3.07Å; Y259-T275 PolarHBondContact O-N 3.42Å; T275-I277 HydrophobicContact CG2-CD1 4.39Å; T275-I277 HydrophobicContact CG2-CG1 3.83Å; T275-R303 HydrophobicContact CG2-CB 4.22Å; T275-R303 HydrophobicContact CG2-CG 4.24Å
276R85.1Confident82.6Confident127 Ų12765.2 Ų65.248%0.47935%0.353SS..EExtended strand (participates in β ladder)trans-104.6130.5167.9179.8174.8179.2163.20.8108.3M256 L257 L258M256-R276 HydrophobicContact CB-CG 4.48Å; M256-R276 HydrophobicContact SD-CG 4.4Å; M256-R276 PolarHBondContact SD-NE 3.5Å; M256-R276 PolarHBondContact SD-NH2 2.87Å; L257-R276 WeakPolarHBondContact O-CA 3.5Å; L258-R276 HydrophobicContact CD2-CB 4.15Å; L258-R276 HydrophobicContact CD2-CG 3.92Å
277I86.6Confident84.3Confident8 Ų858.7 Ų58.74%0.04132%0.32CS..EExtended strand (participates in β ladder)trans-118.2110.5174-52.1-175.1000107.5M256 L257 T275 M282 L305M256-I277 CarbonylContact C-O 3.59Å; M256-I277 WeakPolarHBondContact CA-O 3.37Å; L257-I277 HydrophobicContact CB-CB 4.36Å; L257-I277 HydrophobicContact CD2-CD1 4.42Å; L257-I277 PolarHBondContact N-O 2.87Å; L257-I277 PolarHBondContact O-N 3.29Å; T275-I277 HydrophobicContact CG2-CD1 4.39Å; T275-I277 HydrophobicContact CG2-CG1 3.83Å; I277-M282 HydrophobicContact CB-CE 4.02Å; I277-M282 HydrophobicContact CG2-CE 3.71Å; I277-M282 VanDerWaalsContact O-CE 3.27Å; I277-M282 WeakPolarHBondContact O-CE 3.33Å; I277-L305 HydrophobicContact CD1-CD1 3.68Å; I277-L305 HydrophobicContact CD1-CG 3.93Å
278G82.7Confident85.6Confident36 Ų3661.1 Ų61.137%0.37133%0.326SS..EExtended strand (participates in β ladder)trans-66.1151.6175.200000111.8D280G278-D280 PolarHBondContact O-N 2.92Å
279I85.6Confident86.2Confident7 Ų761.6 Ų61.64%0.03632%0.317CS..SBendtrans-64.4-24.9178.6-163.761.6000112.6N255 G281 M282 T325 I326 F329N255-I279 WeakPolarHBondContact O-CB 3.17Å; N255-I279 WeakPolarHBondContact O-CG2 3.43Å; N255-I279 PolarHBondContact O-N 2.93Å; I279-G281 PolarHBondContact O-N 2.79Å; I279-M282 HydrophobicContact CD1-CB 4.31Å; I279-M282 HydrophobicContact CD1-CE 4.48Å; I279-M282 HydrophobicContact CD1-SD 3.83Å; I279-M282 VanDerWaalsContact O-CB 3.22Å; I279-M282 WeakPolarHBondContact O-CB 3.01Å; I279-M282 PolarHBondContact O-N 3.03Å; I279-T325 HydrophobicContact CD1-CG2 3.82Å; I279-T325 HydrophobicContact CG1-CG2 4.29Å; I279-I326 HydrophobicContact CD1-CG1 3.68Å; I279-F329 HydrophobicContact CG1-CB 3.95Å; I279-F329 HydrophobicContact CG1-CD1 4.42Å; I279-F329 HydrophobicContact CG1-CG 4.04Å; I279-F329 HydrophobicContact CG2-CB 4.45Å; I279-F329 HydrophobicContact CG2-CD1 4.28Å; I279-F329 HydrophobicContact CG2-CD2 3.6Å; I279-F329 HydrophobicContact CG2-CE2 3.98Å; I279-F329 HydrophobicContact CG2-CG 3.81Å; I279-F329 HydrophobicContact CG2-CZ 4.49Å
280D77.6Confident86.3Confident29 Ų2966.4 Ų66.416%0.15533%0.333CS..THydrogen-bonded Turntrans-65.1116.4180-172.415.5000112.6G278 M282 K301 F329 I433G278-D280 PolarHBondContact O-N 2.92Å; D280-M282 PolarHBondContact O-N 2.88Å; D280-K301 VanDerWaalsContact CG-NZ 3.28Å; D280-K301 WeakPolarHBondContact O-CE 3.46Å; D280-K301 IonicContact OD1-NZ 3.06Å; D280-K301 VanDerWaalsContact OD2-CE 3.29Å; D280-K301 WeakPolarHBondContact OD2-CE 3.09Å; D280-K301 IonicContact OD2-NZ 2.74Å; D280-K301 PolarHBondContact OD2-NZ 2.83Å; D280-F329 HydrophobicContact CB-CZ 4.5Å; D280-I433 HydrophobicContact CB-CB 3.72Å; D280-I433 HydrophobicContact CB-CD1 3.77Å; D280-I433 HydrophobicContact CB-CG1 4.15Å; D280-I433 HydrophobicContact CB-CG2 4.17Å; D280-I433 WeakPolarHBondContact OD2-CB 3.41Å; D280-I433 PolarHBondContact OD2-N 3.34Å
281G77.5Confident86.2Confident37 Ų3768.9 Ų68.938%0.38135%0.349SS..THydrogen-bonded Turntrans68.412.3-175.800000113.3I279 K283I279-G281 PolarHBondContact O-N 2.79Å; G281-K283 PolarHBondContact O-N 2.86Å
282M89.4Confident86.1Confident4 Ų469.6 Ų69.62%0.0235%0.353CS..  trans-63133.6170.2-172.5-180-75.400109.1L257 I277 I279 D280 V298 S299 F322 I326L257-M282 HydrophobicContact CB-CE 3.83Å; I277-M282 HydrophobicContact CB-CE 4.02Å; I277-M282 HydrophobicContact CG2-CE 3.71Å; I277-M282 VanDerWaalsContact O-CE 3.27Å; I277-M282 WeakPolarHBondContact O-CE 3.33Å; I279-M282 HydrophobicContact CD1-CB 4.31Å; I279-M282 HydrophobicContact CD1-CE 4.48Å; I279-M282 HydrophobicContact CD1-SD 3.83Å; I279-M282 VanDerWaalsContact O-CB 3.22Å; I279-M282 WeakPolarHBondContact O-CB 3.01Å; I279-M282 PolarHBondContact O-N 3.03Å; D280-M282 PolarHBondContact O-N 2.88Å; M282-V298 HydrophobicContact CG-CG1 4.03Å; M282-V298 HydrophobicContact SD-CG1 4.19Å; M282-S299 CarbonylContact C-O 3.6Å; M282-S299 WeakPolarHBondContact CA-O 3.5Å; M282-F322 HydrophobicContact SD-CD1 3.66Å; M282-F322 HydrophobicContact SD-CE1 3.92Å; M282-I326 HydrophobicContact CB-CD1 4.31Å; M282-I326 HydrophobicContact CB-CG1 4.31Å; M282-I326 HydrophobicContact CG-CD1 4.1Å; M282-I326 HydrophobicContact CG-CG1 4.46Å; M282-I326 HydrophobicContact SD-CD1 4.48Å
283K92.4Very high86.1Confident117 Ų11771.3 Ų71.351%0.50937%0.365SS..EExtended strand (participates in β ladder)trans-131.3133.3171.8-55.5176.1-179.2177.80108.9G281 S299G281-K283 PolarHBondContact O-N 2.86Å; K283-S299 WeakPolarHBondContact CB-OG 3.32Å; K283-S299 PolarHBondContact N-O 3.43Å; K283-S299 PolarHBondContact O-N 3.04Å; K283-S299 PolarHBondContact O-OG 2.66Å
284V95.9Very high86.3Confident15 Ų1573 Ų739%0.09137%0.372CS..EExtended strand (participates in β ladder)trans-104.5137.7169.564.40000108.7F296 Q297 V298 I319 F322 Q323 I326V284-F296 HydrophobicContact CG2-CD2 4.15Å; V284-Q297 CarbonylContact C-O 3.46Å; V284-Q297 WeakPolarHBondContact CA-O 3.34Å; V284-V298 HydrophobicContact CG2-CG2 4.31Å; V284-I319 HydrophobicContact CG2-CB 4.49Å; V284-I319 HydrophobicContact CG2-CG1 4.1Å; V284-I319 HydrophobicContact CG2-CG2 4.44Å; V284-F322 HydrophobicContact CB-CB 3.83Å; V284-F322 HydrophobicContact CB-CG 4.36Å; V284-F322 HydrophobicContact CG1-CB 3.77Å; V284-F322 HydrophobicContact CG2-CB 4.08Å; V284-F322 HydrophobicContact CG2-CD2 4.22Å; V284-F322 HydrophobicContact CG2-CG 4.36Å; V284-Q323 HydrophobicContact CG1-CB 4.47Å; V284-I326 HydrophobicContact CG1-CD1 4.21Å
285R94.1Very high86.6Confident150 Ų15065.2 Ų65.257%0.56634%0.342SS*.EExtended strand (participates in β ladder)trans-141.1137.6176.2-68.5-177.2175.5178.8-5.9109.3F296 Q297R285-F296 CarbonylContact O-C 3.44Å; R285-F296 WeakPolarHBondContact O-CA 3.43Å; R285-F296 WeakPolarHBondContact O-CB 3.37Å; R285-Q297 PolarHBondContact N-O 2.9Å; R285-Q297 PolarHBondContact O-N 2.74Å
286E93.9Very high87.1Confident125 Ų12564.7 Ų64.758%0.58434%0.339SS*.EExtended strand (participates in β ladder)trans-69141.5167.6-167.4171.8170.700109.8K315 I319E286-K315 HydrophobicContact CG-CD 4.4Å; E286-K315 WeakPolarHBondContact OE1-CE 3.34Å; E286-K315 IonicContact OE1-NZ 3.65Å; E286-K315 PolarHBondContact OE1-NZ 2.73Å; E286-I319 HydrophobicContact CB-CD1 4.15Å; E286-I319 HydrophobicContact CG-CD1 4.32Å
287T89.8Confident87.5Confident36 Ų3661.1 Ų61.122%0.22133%0.328CS..  trans-128.4154.5176.950.90000109.4T295 F296 Q297 E306T287-T295 PolarHBondContact N-O 3.43Å; T287-T295 VanDerWaalsContact N-O 3.16Å; T287-T295 PolarHBondContact O-OG1 2.99Å; T287-T295 VanDerWaalsContact O-OG1 3.08Å; T287-T295 VanDerWaalsContact OG1-C 3.22Å; T287-T295 WeakPolarHBondContact OG1-CB 3.32Å; T287-T295 PolarHBondContact OG1-O 3.37Å; T287-F296 VanDerWaalsContact OG1-CA 3.31Å; T287-F296 WeakPolarHBondContact OG1-CA 2.84Å; T287-F296 PolarHBondContact OG1-N 3.33Å; T287-Q297 HydrophobicContact CG2-CB 3.87Å; T287-E306 VanDerWaalsContact CB-OE1 3.25Å; T287-E306 WeakPolarHBondContact CB-OE1 3.42Å; T287-E306 WeakPolarHBondContact CG2-OE1 3.34Å; T287-E306 PolarHBondContact OG1-OE1 3.4Å
288S83.7Confident87.9Confident123 Ų12360.7 Ų60.786%0.8633%0.326SS*.  trans-121.1126175.457.90000108.3
289N78.6Confident88.3Confident58 Ų5860 Ų6031%0.3132%0.315SS..BIsolated β-bridgetrans-127.5126.7175.2-175.4-31.7000107.9D291 H292 T295N289-D291 PolarHBondContact O-N 3.32Å; N289-D291 PolarHBondContact OD1-N 2.94Å; N289-H292 HydrophobicContact CB-CB 4.08Å; N289-H292 CarbonylContact O-C 3.47Å; N289-H292 PolarHBondContact O-N 3.5Å; N289-H292 VanDerWaalsContact O-N 3.17Å; N289-H292 VanDerWaalsContact O-O 3.1Å; N289-T295 HydrophobicContact CB-CG2 4.46Å
290E77.7Confident88.1Confident201 Ų20160.4 Ų60.494%0.93932%0.321SS*.THydrogen-bonded Turntrans-59.5-33.9-176.6-66.2-175.1170.900112.1
291D81.3Confident87.9Confident123 Ų12364.4 Ų64.466%0.65834%0.337SS*.THydrogen-bonded Turntrans-90.9-15.2-179.4-62.1-43.2000113.1N289N289-D291 PolarHBondContact O-N 3.32Å; N289-D291 PolarHBondContact OD1-N 2.94Å
292H84.8Confident87.3Confident27 Ų2771 Ų7113%0.12536%0.358CS..BIsolated β-bridgetrans-136.5100.1-172.9-63.3-81.2000112.1L238 T245 N289 T295 Q308L238-H292 HydrophobicContact CD1-CB 4.03Å; L238-H292 HydrophobicContact CD2-CB 4.47Å; T245-H292 WeakPolarHBondContact CG2-CE1 3.48Å; N289-H292 HydrophobicContact CB-CB 4.08Å; N289-H292 CarbonylContact O-C 3.47Å; N289-H292 PolarHBondContact O-N 3.5Å; N289-H292 VanDerWaalsContact O-N 3.17Å; N289-H292 VanDerWaalsContact O-O 3.1Å; H292-T295 HydrophobicContact CB-CG2 3.87Å; H292-T295 VanDerWaalsContact O-CG2 3.24Å; H292-T295 WeakPolarHBondContact O-CG2 3.22Å; H292-T295 PolarHBondContact O-OG1 2.94Å; H292-Q308 PolarHBondContact ND1-OE1 3.16Å
293P89.2Confident86.8Confident75 Ų7577.9 Ų77.949%0.48738%0.383SS..SBendtrans-70.7163.5176.131.2-36.3000111.4T295 Q308P293-T295 PolarHBondContact O-N 3.32Å; P293-Q308 WeakPolarHBondContact O-CG 3.35Å; P293-Q308 PolarHBondContact O-NE2 3.21Å
294H93.1Very high86.7Confident58 Ų5875.9 Ų75.927%0.26938%0.381SS..SBendtrans60.539174.5-41.2-53.8000114.7A309 E312 K315H294-A309 HydrophobicContact CB-CB 4.35Å; H294-A309 PolarHBondContact O-N 2.88Å; H294-E312 IonicContact CE1-OE2 3.66Å; H294-E312 IonicContact CG-OE2 3.61Å; H294-E312 PolarHBondContact ND1-N 3.16Å; H294-E312 IonicContact ND1-OE2 2.83Å; H294-E312 PolarHBondContact ND1-OE2 3.44Å; H294-K315 HydrophobicContact CB-CB 4.3Å; H294-K315 HydrophobicContact CB-CD 4.36Å
295T93.9Very high86.5Confident2 Ų275.5 Ų75.51%0.01238%0.378CS..EExtended strand (participates in β ladder)trans-91.4146.7-176.839.90000112.4L238 T287 N289 H292 P293 L307 Q308L238-T295 HydrophobicContact CD1-CG2 3.68Å; T287-T295 PolarHBondContact N-O 3.43Å; T287-T295 VanDerWaalsContact N-O 3.16Å; T287-T295 PolarHBondContact O-OG1 2.99Å; T287-T295 VanDerWaalsContact O-OG1 3.08Å; T287-T295 VanDerWaalsContact OG1-C 3.22Å; T287-T295 WeakPolarHBondContact OG1-CB 3.32Å; T287-T295 PolarHBondContact OG1-O 3.37Å; N289-T295 HydrophobicContact CB-CG2 4.46Å; H292-T295 HydrophobicContact CB-CG2 3.87Å; H292-T295 VanDerWaalsContact O-CG2 3.24Å; H292-T295 WeakPolarHBondContact O-CG2 3.22Å; H292-T295 PolarHBondContact O-OG1 2.94Å; P293-T295 PolarHBondContact O-N 3.32Å; T295-L307 CarbonylContact C-O 3.57Å; T295-L307 VanDerWaalsContact CA-O 3.26Å; T295-L307 WeakPolarHBondContact CA-O 3.34Å; T295-Q308 HydrophobicContact CG2-CB 3.9Å; T295-Q308 HydrophobicContact CG2-CG 4.34Å
296F95.4Very high86.4Confident0 Ų070.5 Ų70.50%036%0.362CS..EExtended strand (participates in β ladder)trans-152.1156.9172.468.2-79.8000110.1I235 V284 R285 T287 V298 L307 A309 K315 W318 I319 F322I235-F296 HydrophobicContact CD1-CE1 3.92Å; I235-F296 HydrophobicContact CD1-CZ 4.08Å; V284-F296 HydrophobicContact CG2-CD2 4.15Å; R285-F296 CarbonylContact O-C 3.44Å; R285-F296 WeakPolarHBondContact O-CA 3.43Å; R285-F296 WeakPolarHBondContact O-CB 3.37Å; T287-F296 VanDerWaalsContact OG1-CA 3.31Å; T287-F296 WeakPolarHBondContact OG1-CA 2.84Å; T287-F296 PolarHBondContact OG1-N 3.33Å; F296-V298 HydrophobicContact CD2-CG2 3.97Å; F296-V298 HydrophobicContact CE2-CG2 3.75Å; F296-L307 HydrophobicContact CD1-CB 4.33Å; F296-L307 HydrophobicContact CE1-CB 3.97Å; F296-L307 HydrophobicContact CE2-CB 4.19Å; F296-L307 HydrophobicContact CE2-CD1 3.76Å; F296-L307 HydrophobicContact CZ-CB 3.89Å; F296-L307 HydrophobicContact CZ-CD1 3.87Å; F296-L307 PolarHBondContact N-O 3.49Å; F296-L307 PolarHBondContact O-N 3.4Å; F296-L307 VanDerWaalsContact O-O 3.09Å; F296-A309 HydrophobicContact CE1-CB 4.26Å; F296-K315 HydrophobicContact CD1-CG 3.94Å; F296-W318 HydrophobicContact CE1-CB 4.27Å; F296-W318 HydrophobicContact CE2-CB 4.24Å; F296-W318 HydrophobicContact CZ-CB 3.76Å; F296-W318 HydrophobicContact CZ-CG 4.1Å; F296-I319 HydrophobicContact CB-CD1 4.01Å; F296-I319 HydrophobicContact CB-CG1 4.15Å; F296-I319 HydrophobicContact CD2-CG1 4.34Å; F296-I319 HydrophobicContact CG-CG1 4.21Å; F296-F322 HydrophobicContact CE2-CD2 4.35Å; F296-F322 AromaticContact CE2-CE2 3.99Å; F296-F322 HydrophobicContact CE2-CE2 3.99Å
297Q94.9Very high86.4Confident52 Ų5264.6 Ų64.624%0.24333%0.334CS..EExtended strand (participates in β ladder)trans-114.4132.6-178.1-173.8175.494.700110.7V284 R285 T287 T304 L305 E306V284-Q297 CarbonylContact C-O 3.46Å; V284-Q297 WeakPolarHBondContact CA-O 3.34Å; R285-Q297 PolarHBondContact N-O 2.9Å; R285-Q297 PolarHBondContact O-N 2.74Å; T287-Q297 HydrophobicContact CG2-CB 3.87Å; Q297-T304 HydrophobicContact CG-CG2 3.36Å; Q297-L305 WeakPolarHBondContact CA-O 3.48Å; Q297-E306 PolarHBondContact NE2-OE2 3.14Å
298V95.1Very high86.6Confident0 Ų064.3 Ų64.30%033%0.33CS..EExtended strand (participates in β ladder)trans-113.6116168.2-177.10000108.3L257 M282 V284 F296 T304 L305 L307 F322L257-V298 HydrophobicContact CD2-CG1 4.09Å; M282-V298 HydrophobicContact CG-CG1 4.03Å; M282-V298 HydrophobicContact SD-CG1 4.19Å; V284-V298 HydrophobicContact CG2-CG2 4.31Å; F296-V298 HydrophobicContact CD2-CG2 3.97Å; F296-V298 HydrophobicContact CE2-CG2 3.75Å; V298-T304 WeakPolarHBondContact O-CA 3.35Å; V298-L305 PolarHBondContact N-O 3.11Å; V298-L305 PolarHBondContact O-N 3.09Å; V298-L307 HydrophobicContact CG2-CD1 4.08Å; V298-F322 HydrophobicContact CG1-CD1 4.47Å; V298-F322 HydrophobicContact CG1-CE1 4.09Å; V298-F322 HydrophobicContact CG1-CZ 4.43Å; V298-F322 HydrophobicContact CG2-CD2 4.1Å; V298-F322 HydrophobicContact CG2-CE1 4.21Å; V298-F322 HydrophobicContact CG2-CE2 3.77Å; V298-F322 HydrophobicContact CG2-CZ 3.84Å
299S90.4Very high87.2Confident21 Ų2158.7 Ų58.715%0.14729%0.291CS..EExtended strand (participates in β ladder)trans-111.4138.2178.2600000110.2M282 K283 T304M282-S299 CarbonylContact C-O 3.6Å; M282-S299 WeakPolarHBondContact CA-O 3.5Å; K283-S299 WeakPolarHBondContact CB-OG 3.32Å; K283-S299 PolarHBondContact N-O 3.43Å; K283-S299 PolarHBondContact O-N 3.04Å; K283-S299 PolarHBondContact O-OG 2.66Å; S299-T304 WeakPolarHBondContact CB-OG1 3.39Å
300G81.8Confident87.9Confident15 Ų1560.8 Ų60.816%0.15531%0.31CS..  trans-130.8-166165.600000110.8E302 R303G300-E302 PolarHBondContact O-N 3.45Å; G300-R303 PolarHBondContact N-O 3.06Å
301K73.4Confident88.7Confident114 Ų11453.3 Ų53.350%0.49628%0.28SS..SBendtrans-65.9-35.8-173.8-66.5-171.9175.4-170.30114D280 K431D280-K301 VanDerWaalsContact CG-NZ 3.28Å; D280-K301 WeakPolarHBondContact O-CE 3.46Å; D280-K301 IonicContact OD1-NZ 3.06Å; D280-K301 VanDerWaalsContact OD2-CE 3.29Å; D280-K301 WeakPolarHBondContact OD2-CE 3.09Å; D280-K301 IonicContact OD2-NZ 2.74Å; D280-K301 PolarHBondContact OD2-NZ 2.83Å; K301-K431 PolarHBondContact NZ-O 3.13Å
302E65.1Low89.3Confident176 Ų17651.8 Ų51.882%0.82227%0.269SS*.SBendtrans-102.5-29.6-172.6-60.2-171.5171.500113.2G300G300-E302 PolarHBondContact O-N 3.45Å
303R79.3Confident89.8Confident148 Ų14858.7 Ų58.756%0.55830%0.301SS*.  trans-148.2152.9-173.7-65-157.1-176.1-155.1-1.2112.4T275 G300T275-R303 HydrophobicContact CG2-CB 4.22Å; T275-R303 HydrophobicContact CG2-CG 4.24Å; G300-R303 PolarHBondContact N-O 3.06Å
304T88.7Confident90Very high75 Ų7556.9 Ų56.946%0.4629%0.288SS..EExtended strand (participates in β ladder)trans-120.6134.7169.5-60.20000109.1Q297 V298 S299Q297-T304 HydrophobicContact CG-CG2 3.36Å; V298-T304 WeakPolarHBondContact O-CA 3.35Å; S299-T304 WeakPolarHBondContact CB-OG1 3.39Å
305L91.6Very high90.1Very high6 Ų654.5 Ų54.53%0.03128%0.277CS..EExtended strand (participates in β ladder)trans-116.2125178-60.6176.9000109.1Y259 I277 Q297 V298 L307Y259-L305 HydrophobicContact CD2-CD1 3.74Å; Y259-L305 HydrophobicContact CE2-CD1 4.37Å; Y259-L305 HydrophobicContact CE2-CD2 4.5Å; Y259-L305 HydrophobicContact CG-CD1 3.88Å; I277-L305 HydrophobicContact CD1-CD1 3.68Å; I277-L305 HydrophobicContact CD1-CG 3.93Å; Q297-L305 WeakPolarHBondContact CA-O 3.48Å; V298-L305 PolarHBondContact N-O 3.11Å; V298-L305 PolarHBondContact O-N 3.09Å; L305-L307 HydrophobicContact CB-CD1 4.43Å; L305-L307 HydrophobicContact CB-CD2 4.11Å; L305-L307 HydrophobicContact CB-CG 4.1Å
306E92.9Very high90.2Very high46 Ų4656.9 Ų56.922%0.21530%0.297CS..EExtended strand (participates in β ladder)trans-93119.8168.1-164.670.5-156.500108L238 T287 Q297L238-E306 HydrophobicContact CB-CB 4.14Å; L238-E306 HydrophobicContact CB-CG 4.05Å; L238-E306 HydrophobicContact CD1-CG 3.95Å; L238-E306 HydrophobicContact CG-CG 4.32Å; L238-E306 PolarHBondContact N-O 3.42Å; T287-E306 VanDerWaalsContact CB-OE1 3.25Å; T287-E306 WeakPolarHBondContact CB-OE1 3.42Å; T287-E306 WeakPolarHBondContact CG2-OE1 3.34Å; T287-E306 PolarHBondContact OG1-OE1 3.4Å; Q297-E306 PolarHBondContact NE2-OE2 3.14Å
307L94.3Very high90.3Very high0 Ų058.2 Ų58.20%031%0.31CS..EExtended strand (participates in β ladder)trans-125.1144.4-168.3-61.1175.8000110.2I235 M236 K237 L250 T295 F296 V298 L305I235-L307 HydrophobicContact CG1-CB 3.88Å; I235-L307 HydrophobicContact CG1-CD1 4.42Å; I235-L307 HydrophobicContact CG1-CD2 4.16Å; I235-L307 HydrophobicContact CG1-CG 4.37Å; I235-L307 HydrophobicContact CG2-CD2 3.94Å; M236-L307 CarbonylContact O-C 3.57Å; M236-L307 WeakPolarHBondContact O-CA 3.48Å; K237-L307 HydrophobicContact CB-CD2 4.27Å; K237-L307 HydrophobicContact CG-CD2 4.36Å; L250-L307 HydrophobicContact CD1-CD1 3.94Å; T295-L307 CarbonylContact C-O 3.57Å; T295-L307 VanDerWaalsContact CA-O 3.26Å; T295-L307 WeakPolarHBondContact CA-O 3.34Å; F296-L307 HydrophobicContact CD1-CB 4.33Å; F296-L307 HydrophobicContact CE1-CB 3.97Å; F296-L307 HydrophobicContact CE2-CB 4.19Å; F296-L307 HydrophobicContact CE2-CD1 3.76Å; F296-L307 HydrophobicContact CZ-CB 3.89Å; F296-L307 HydrophobicContact CZ-CD1 3.87Å; F296-L307 PolarHBondContact N-O 3.49Å; F296-L307 PolarHBondContact O-N 3.4Å; F296-L307 VanDerWaalsContact O-O 3.09Å; V298-L307 HydrophobicContact CG2-CD1 4.08Å; L305-L307 HydrophobicContact CB-CD1 4.43Å; L305-L307 HydrophobicContact CB-CD2 4.11Å; L305-L307 HydrophobicContact CB-CG 4.1Å
308Q94.3Very high90.4Very high30 Ų3055.8 Ų55.814%0.1430%0.299CS..EExtended strand (participates in β ladder)trans-120.5122.5174.8171174.53700108.6I235 M236 L238 H292 P293 T295I235-Q308 VanDerWaalsContact CD1-O 3.3Å; I235-Q308 WeakPolarHBondContact CD1-O 3.43Å; M236-Q308 HydrophobicContact CB-CB 4.05Å; M236-Q308 PolarHBondContact N-O 3.38Å; M236-Q308 PolarHBondContact O-N 2.88Å; L238-Q308 HydrophobicContact CD2-CB 4.34Å; H292-Q308 PolarHBondContact ND1-OE1 3.16Å; P293-Q308 WeakPolarHBondContact O-CG 3.35Å; P293-Q308 PolarHBondContact O-NE2 3.21Å; T295-Q308 HydrophobicContact CG2-CB 3.9Å; T295-Q308 HydrophobicContact CG2-CG 4.34Å
309A94.9Very high90.4Very high6 Ų657.5 Ų57.55%0.0531%0.308CS..  trans-81.8162174.700000111.8I235 H294 F296 S311 D314 K315I235-A309 HydrophobicContact CD1-CB 4.21Å; H294-A309 HydrophobicContact CB-CB 4.35Å; H294-A309 PolarHBondContact O-N 2.88Å; F296-A309 HydrophobicContact CE1-CB 4.26Å; A309-S311 VanDerWaalsContact C-N 3.29Å; A309-S311 PolarHBondContact O-N 3.32Å; A309-D314 HydrophobicContact CB-CB 4.25Å; A309-K315 HydrophobicContact CB-CB 3.78Å
310S93.8Very high90.7Very high102 Ų10262.5 Ų62.571%0.71333%0.327SS*.SBendtrans-70.1-26.1179.260.40000113.6D314S310-D314 PolarHBondContact N-OD2 3.13Å; S310-D314 PolarHBondContact OG-OD2 3.19Å
311S94.8Very high91.4Very high43 Ų4362.3 Ų62.330%0.30132%0.324SS..SBendtrans-156.6167.3-178.564.70000110.8A309 Q313 D314 K315A309-S311 VanDerWaalsContact C-N 3.29Å; A309-S311 PolarHBondContact O-N 3.32Å; S311-Q313 VanDerWaalsContact C-N 3.28Å; S311-Q313 PolarHBondContact O-N 2.86Å; S311-D314 PolarHBondContact O-N 3.26Å; S311-D314 WeakPolarHBondContact OG-CB 3.33Å; S311-D314 PolarHBondContact OG-N 2.94Å; S311-D314 VanDerWaalsContact OG-N 3.14Å; S311-K315 PolarHBondContact O-N 3.33Å
312E94.1Very high92.5Very high92 Ų9256.9 Ų56.943%0.4330%0.3SS..Hα-helixtrans-60.7-38.3174.2-171.457.2-154.300112.5H294 K315 A316H294-E312 IonicContact CE1-OE2 3.66Å; H294-E312 IonicContact CG-OE2 3.61Å; H294-E312 PolarHBondContact ND1-N 3.16Å; H294-E312 IonicContact ND1-OE2 2.83Å; H294-E312 PolarHBondContact ND1-OE2 3.44Å; E312-K315 VanDerWaalsContact CD-CE 3.5Å; E312-K315 PolarHBondContact O-N 3.04Å; E312-K315 WeakPolarHBondContact OE1-CE 3.48Å; E312-K315 IonicContact OE1-NZ 3.57Å; E312-K315 PolarHBondContact OE1-NZ 2.78Å; E312-K315 WeakPolarHBondContact OE2-CE 3.44Å; E312-K315 IonicContact OE2-NZ 3.58Å; E312-K315 PolarHBondContact OE2-NZ 3.34Å; E312-A316 WeakPolarHBondContact O-CB 3.47Å; E312-A316 PolarHBondContact O-N 2.95Å
313Q94.3Very high94Very high171 Ų17152.2 Ų52.280%0.79928%0.278SS*.Hα-helixtrans-65.1-42.3176.8-175.7-179.64.100111.5S311 A316 G317S311-Q313 VanDerWaalsContact C-N 3.28Å; S311-Q313 PolarHBondContact O-N 2.86Å; Q313-A316 PolarHBondContact O-N 3.14Å; Q313-G317 PolarHBondContact O-N 3.15Å
314D94.4Very high94.7Very high37 Ų3749.7 Ų49.720%0.19827%0.273CS..Hα-helixtrans-67.7-41.2178.5-168.732.8000110.9A309 S310 S311 A316 G317 W318A309-D314 HydrophobicContact CB-CB 4.25Å; S310-D314 PolarHBondContact N-OD2 3.13Å; S310-D314 PolarHBondContact OG-OD2 3.19Å; S311-D314 PolarHBondContact O-N 3.26Å; S311-D314 WeakPolarHBondContact OG-CB 3.33Å; S311-D314 PolarHBondContact OG-N 2.94Å; S311-D314 VanDerWaalsContact OG-N 3.14Å; D314-A316 PolarHBondContact O-N 3.32Å; D314-G317 PolarHBondContact O-N 2.95Å; D314-W318 VanDerWaalsContact O-CD1 3.22Å; D314-W318 PolarHBondContact O-N 3.33Å; D314-W318 PolarHBondContact OD1-NE1 3.32Å
315K95.8Very high94.8Very high9 Ų946.7 Ų46.74%0.03925%0.254CS..Hα-helixtrans-55.4-53171.2-174.6-170.373.7-170.10111.2E286 H294 F296 A309 S311 E312 G317 W318 I319E286-K315 HydrophobicContact CG-CD 4.4Å; E286-K315 WeakPolarHBondContact OE1-CE 3.34Å; E286-K315 IonicContact OE1-NZ 3.65Å; E286-K315 PolarHBondContact OE1-NZ 2.73Å; H294-K315 HydrophobicContact CB-CB 4.3Å; H294-K315 HydrophobicContact CB-CD 4.36Å; F296-K315 HydrophobicContact CD1-CG 3.94Å; A309-K315 HydrophobicContact CB-CB 3.78Å; S311-K315 PolarHBondContact O-N 3.33Å; E312-K315 VanDerWaalsContact CD-CE 3.5Å; E312-K315 PolarHBondContact O-N 3.04Å; E312-K315 WeakPolarHBondContact OE1-CE 3.48Å; E312-K315 IonicContact OE1-NZ 3.57Å; E312-K315 PolarHBondContact OE1-NZ 2.78Å; E312-K315 WeakPolarHBondContact OE2-CE 3.44Å; E312-K315 IonicContact OE2-NZ 3.58Å; E312-K315 PolarHBondContact OE2-NZ 3.34Å; K315-G317 VanDerWaalsContact C-N 3.29Å; K315-G317 PolarHBondContact O-N 2.72Å; K315-W318 PolarHBondContact O-N 3.32Å; K315-I319 HydrophobicContact CD-CD1 4.25Å; K315-I319 HydrophobicContact CG-CD1 3.82Å; K315-I319 HydrophobicContact CG-CG1 4.43Å; K315-I319 WeakPolarHBondContact O-CG1 3.25Å; K315-I319 PolarHBondContact O-N 2.99Å
316A95.7Very high94.6Very high52 Ų5246.7 Ų46.743%0.4325%0.254SS..Hα-helixtrans-59.8-40.7179.900000111.6E312 Q313 D314 K320E312-A316 WeakPolarHBondContact O-CB 3.47Å; E312-A316 PolarHBondContact O-N 2.95Å; Q313-A316 PolarHBondContact O-N 3.14Å; D314-A316 PolarHBondContact O-N 3.32Å; A316-K320 VanDerWaalsContact O-CB 3.25Å; A316-K320 WeakPolarHBondContact O-CB 3.43Å; A316-K320 PolarHBondContact O-N 3.19Å
317G96.3Very high94.5Very high28 Ų2847.9 Ų47.929%0.28926%0.262SS..Hα-helixtrans-62.8-42.4176.300000113.4Q313 D314 K315 A321Q313-G317 PolarHBondContact O-N 3.15Å; D314-G317 PolarHBondContact O-N 2.95Å; K315-G317 VanDerWaalsContact C-N 3.29Å; K315-G317 PolarHBondContact O-N 2.72Å; G317-A321 WeakPolarHBondContact O-CB 3.36Å; G317-A321 PolarHBondContact O-N 3.26Å; G317-A321 VanDerWaalsContact O-N 3.13Å
318W97.3Very high93.6Very high1 Ų152.2 Ų52.20%0.00428%0.284CS..Hα-helixtrans-65.7-50.8174.5-82.1111.8000112.1K231 L250 K252 F296 D314 K315 K320 A321 F322K231-W318 HydrophobicContact CB-CH2 4.24Å; K231-W318 HydrophobicContact CB-CZ3 4.03Å; K231-W318 HydrophobicContact CD-CD2 3.97Å; K231-W318 HydrophobicContact CD-CE3 3.78Å; K231-W318 HydrophobicContact CD-CH2 4.1Å; K231-W318 HydrophobicContact CD-CZ2 4.26Å; K231-W318 HydrophobicContact CD-CZ3 3.85Å; K231-W318 VanDerWaalsContact CE-CD2 3.48Å; K231-W318 VanDerWaalsContact CE-CE2 3.43Å; K231-W318 HydrophobicContact CG-CE3 4.31Å; K231-W318 HydrophobicContact CG-CH2 3.77Å; K231-W318 HydrophobicContact CG-CZ2 4.16Å; K231-W318 HydrophobicContact CG-CZ3 3.85Å; L250-W318 HydrophobicContact CB-CH2 3.68Å; L250-W318 HydrophobicContact CB-CZ2 4.16Å; L250-W318 HydrophobicContact CB-CZ3 4.23Å; L250-W318 HydrophobicContact CD1-CE3 4.5Å; L250-W318 HydrophobicContact CD1-CH2 4.29Å; L250-W318 HydrophobicContact CD1-CZ2 4.41Å; L250-W318 HydrophobicContact CD1-CZ3 4.34Å; K252-W318 HydrophobicContact CB-CZ3 4.08Å; F296-W318 HydrophobicContact CE1-CB 4.27Å; F296-W318 HydrophobicContact CE2-CB 4.24Å; F296-W318 HydrophobicContact CZ-CB 3.76Å; F296-W318 HydrophobicContact CZ-CG 4.1Å; D314-W318 VanDerWaalsContact O-CD1 3.22Å; D314-W318 PolarHBondContact O-N 3.33Å; D314-W318 PolarHBondContact OD1-NE1 3.32Å; K315-W318 PolarHBondContact O-N 3.32Å; W318-K320 VanDerWaalsContact C-N 3.28Å; W318-K320 PolarHBondContact O-N 3.23Å; W318-A321 PolarHBondContact O-N 2.92Å; W318-F322 HydrophobicContact CB-CE2 4.47Å; W318-F322 AromaticContact CE3-CE2 3.81Å; W318-F322 HydrophobicContact CE3-CE2 3.81Å; W318-F322 HydrophobicContact CE3-CZ 4.35Å; W318-F322 WeakPolarHBondContact O-CD2 3.02Å; W318-F322 PolarHBondContact O-N 3.14Å
319I96.4Very high92.8Very high36 Ų3652.8 Ų52.819%0.18529%0.287CS..Hα-helixtrans-56.6-45.4179.9-68.7174.9000110.5V284 E286 F296 K315 F322 Q323V284-I319 HydrophobicContact CG2-CB 4.49Å; V284-I319 HydrophobicContact CG2-CG1 4.1Å; V284-I319 HydrophobicContact CG2-CG2 4.44Å; E286-I319 HydrophobicContact CB-CD1 4.15Å; E286-I319 HydrophobicContact CG-CD1 4.32Å; F296-I319 HydrophobicContact CB-CD1 4.01Å; F296-I319 HydrophobicContact CB-CG1 4.15Å; F296-I319 HydrophobicContact CD2-CG1 4.34Å; F296-I319 HydrophobicContact CG-CG1 4.21Å; K315-I319 HydrophobicContact CD-CD1 4.25Å; K315-I319 HydrophobicContact CG-CD1 3.82Å; K315-I319 HydrophobicContact CG-CG1 4.43Å; K315-I319 WeakPolarHBondContact O-CG1 3.25Å; K315-I319 PolarHBondContact O-N 2.99Å; I319-F322 PolarHBondContact O-N 3.13Å; I319-Q323 WeakPolarHBondContact O-CB 3.47Å; I319-Q323 PolarHBondContact O-N 3.25Å
320K96.4Very high92Very high126 Ų12657 Ų5755%0.54831%0.305SS..Hα-helixtrans-58.8-50.2177.1-177.5176.9174.3-179.70112A316 W318 F322 Q323 E324A316-K320 VanDerWaalsContact O-CB 3.25Å; A316-K320 WeakPolarHBondContact O-CB 3.43Å; A316-K320 PolarHBondContact O-N 3.19Å; W318-K320 VanDerWaalsContact C-N 3.28Å; W318-K320 PolarHBondContact O-N 3.23Å; K320-F322 VanDerWaalsContact C-N 3.29Å; K320-F322 PolarHBondContact O-N 2.93Å; K320-Q323 PolarHBondContact O-N 3.37Å; K320-E324 WeakPolarHBondContact CE-OE1 3.44Å; K320-E324 HydrophobicContact CG-CG 4.33Å; K320-E324 IonicContact NZ-OE1 3.69Å; K320-E324 WeakPolarHBondContact O-CG 3.06Å; K320-E324 PolarHBondContact O-N 3.31Å
321A96.1Very high90.8Very high11 Ų1158.3 Ų58.39%0.09130%0.3CS..Hα-helixtrans-60.4-38.3179.400000112.5I230 K231 G317 W318 T325I230-A321 HydrophobicContact CG2-CB 4.32Å; K231-A321 HydrophobicContact CD-CB 4.21Å; G317-A321 WeakPolarHBondContact O-CB 3.36Å; G317-A321 PolarHBondContact O-N 3.26Å; G317-A321 VanDerWaalsContact O-N 3.13Å; W318-A321 PolarHBondContact O-N 2.92Å; A321-T325 WeakPolarHBondContact O-CB 3.21Å; A321-T325 PolarHBondContact O-N 2.91Å; A321-T325 PolarHBondContact O-OG1 2.71Å
322F96.7Very high89.1Confident0 Ų063.1 Ų63.10%032%0.316CS..Hα-helixtrans-65-50.3173.3-78.5-68000111.8K252 L257 M282 V284 F296 V298 W318 I319 K320 T325 I326K252-F322 HydrophobicContact CD-CD1 3.93Å; K252-F322 HydrophobicContact CD-CE1 3.56Å; K252-F322 HydrophobicContact CD-CZ 4.27Å; L257-F322 HydrophobicContact CB-CE1 4.31Å; L257-F322 HydrophobicContact CD1-CE1 4.02Å; L257-F322 HydrophobicContact CD1-CZ 3.79Å; L257-F322 HydrophobicContact CD2-CE1 3.84Å; L257-F322 HydrophobicContact CD2-CZ 3.75Å; L257-F322 HydrophobicContact CG-CE1 4.28Å; L257-F322 HydrophobicContact CG-CZ 4.31Å; M282-F322 HydrophobicContact SD-CD1 3.66Å; M282-F322 HydrophobicContact SD-CE1 3.92Å; V284-F322 HydrophobicContact CB-CB 3.83Å; V284-F322 HydrophobicContact CB-CG 4.36Å; V284-F322 HydrophobicContact CG1-CB 3.77Å; V284-F322 HydrophobicContact CG2-CB 4.08Å; V284-F322 HydrophobicContact CG2-CD2 4.22Å; V284-F322 HydrophobicContact CG2-CG 4.36Å; F296-F322 HydrophobicContact CE2-CD2 4.35Å; F296-F322 AromaticContact CE2-CE2 3.99Å; F296-F322 HydrophobicContact CE2-CE2 3.99Å; V298-F322 HydrophobicContact CG1-CD1 4.47Å; V298-F322 HydrophobicContact CG1-CE1 4.09Å; V298-F322 HydrophobicContact CG1-CZ 4.43Å; V298-F322 HydrophobicContact CG2-CD2 4.1Å; V298-F322 HydrophobicContact CG2-CE1 4.21Å; V298-F322 HydrophobicContact CG2-CE2 3.77Å; V298-F322 HydrophobicContact CG2-CZ 3.84Å; W318-F322 HydrophobicContact CB-CE2 4.47Å; W318-F322 AromaticContact CE3-CE2 3.81Å; W318-F322 HydrophobicContact CE3-CE2 3.81Å; W318-F322 HydrophobicContact CE3-CZ 4.35Å; W318-F322 WeakPolarHBondContact O-CD2 3.02Å; W318-F322 PolarHBondContact O-N 3.14Å; I319-F322 PolarHBondContact O-N 3.13Å; K320-F322 VanDerWaalsContact C-N 3.29Å; K320-F322 PolarHBondContact O-N 2.93Å; F322-T325 PolarHBondContact O-N 3.33Å; F322-I326 HydrophobicContact CB-CD1 4.47Å; F322-I326 WeakPolarHBondContact O-CB 3.2Å; F322-I326 WeakPolarHBondContact O-CD1 3.5Å; F322-I326 WeakPolarHBondContact O-CG1 3.49Å; F322-I326 PolarHBondContact O-N 3.24Å
323Q95.7Very high87.1Confident77 Ų7761.2 Ų61.236%0.3631%0.308SS..Hα-helixtrans-61.8-48.4-175.8-167.561.353.700111.5V284 I319 K320 T325 I326 D327V284-Q323 HydrophobicContact CG1-CB 4.47Å; I319-Q323 WeakPolarHBondContact O-CB 3.47Å; I319-Q323 PolarHBondContact O-N 3.25Å; K320-Q323 PolarHBondContact O-N 3.37Å; Q323-T325 VanDerWaalsContact C-N 3.31Å; Q323-T325 PolarHBondContact O-N 3.4Å; Q323-I326 PolarHBondContact O-N 3.22Å; Q323-I326 VanDerWaalsContact O-N 3.13Å; Q323-D327 PolarHBondContact NE2-OD1 2.87Å; Q323-D327 WeakPolarHBondContact O-CB 3.25Å; Q323-D327 PolarHBondContact O-N 3.49Å
324E94.1Very high85Confident96 Ų9658.8 Ų58.845%0.44930%0.297SS..Hα-helixtrans-58.1-43.1178-71.7176.1165.700111.8K320 D327 I328K320-E324 WeakPolarHBondContact CE-OE1 3.44Å; K320-E324 HydrophobicContact CG-CG 4.33Å; K320-E324 IonicContact NZ-OE1 3.69Å; K320-E324 WeakPolarHBondContact O-CG 3.06Å; K320-E324 PolarHBondContact O-N 3.31Å; E324-D327 PolarHBondContact O-N 3.27Å; E324-I328 WeakPolarHBondContact O-CD1 3.48Å; E324-I328 VanDerWaalsContact O-CG1 3.25Å; E324-I328 WeakPolarHBondContact O-CG1 3.27Å; E324-I328 PolarHBondContact O-N 2.82Å
325T90.3Very high82.3Confident12 Ų1261.5 Ų61.57%0.07432%0.315CS..Hα-helixtrans-67.5-38.6178.9-50.10000111.8N254 I279 A321 F322 Q323 F329N254-T325 WeakPolarHBondContact O-CG2 3.43Å; I279-T325 HydrophobicContact CD1-CG2 3.82Å; I279-T325 HydrophobicContact CG1-CG2 4.29Å; A321-T325 WeakPolarHBondContact O-CB 3.21Å; A321-T325 PolarHBondContact O-N 2.91Å; A321-T325 PolarHBondContact O-OG1 2.71Å; F322-T325 PolarHBondContact O-N 3.33Å; Q323-T325 VanDerWaalsContact C-N 3.31Å; Q323-T325 PolarHBondContact O-N 3.4Å; T325-F329 WeakPolarHBondContact O-CB 3.48Å; T325-F329 PolarHBondContact O-N 2.74Å; T325-F329 VanDerWaalsContact O-N 3.15Å
326I89.1Confident79.3Confident5 Ų566.1 Ų66.13%0.02634%0.335CS..Hα-helixtrans-66.1-43.8177.2-70.5163.1000110.3I279 M282 V284 F322 Q323 F329 Q330I279-I326 HydrophobicContact CD1-CG1 3.68Å; M282-I326 HydrophobicContact CB-CD1 4.31Å; M282-I326 HydrophobicContact CB-CG1 4.31Å; M282-I326 HydrophobicContact CG-CD1 4.1Å; M282-I326 HydrophobicContact CG-CG1 4.46Å; M282-I326 HydrophobicContact SD-CD1 4.48Å; V284-I326 HydrophobicContact CG1-CD1 4.21Å; F322-I326 HydrophobicContact CB-CD1 4.47Å; F322-I326 WeakPolarHBondContact O-CB 3.2Å; F322-I326 WeakPolarHBondContact O-CD1 3.5Å; F322-I326 WeakPolarHBondContact O-CG1 3.49Å; F322-I326 PolarHBondContact O-N 3.24Å; Q323-I326 PolarHBondContact O-N 3.22Å; Q323-I326 VanDerWaalsContact O-N 3.13Å; I326-F329 WeakPolarHBondContact O-CB 3.34Å; I326-F329 PolarHBondContact O-N 2.91Å; I326-Q330 HydrophobicContact CG2-CG 4.37Å; I326-Q330 VanDerWaalsContact CG2-NE2 3.26Å; I326-Q330 WeakPolarHBondContact O-CG 3.42Å; I326-Q330 PolarHBondContact O-N 2.82Å
327D89.4Confident76.5Confident71 Ų7169.2 Ų69.238%0.3834%0.339SS..Hα-helixtrans-66.1-46-178.2-65.8-16.4000111.2Q323 E324 F329 Q330 Q331Q323-D327 PolarHBondContact NE2-OD1 2.87Å; Q323-D327 WeakPolarHBondContact O-CB 3.25Å; Q323-D327 PolarHBondContact O-N 3.49Å; E324-D327 PolarHBondContact O-N 3.27Å; D327-F329 PolarHBondContact O-N 3.42Å; D327-Q330 PolarHBondContact O-N 3.47Å; D327-Q330 VanDerWaalsContact O-N 3.16Å; D327-Q331 WeakPolarHBondContact O-CB 3.41Å; D327-Q331 PolarHBondContact O-N 2.78Å
328I76.6Confident73.5Confident91 Ų9173 Ų7347%0.46735%0.353SS..Hα-helixtrans-56.9-42.8174-69.7166.3000110.5E324 K332E324-I328 WeakPolarHBondContact O-CD1 3.48Å; E324-I328 VanDerWaalsContact O-CG1 3.25Å; E324-I328 WeakPolarHBondContact O-CG1 3.27Å; E324-I328 PolarHBondContact O-N 2.82Å; I328-K332 HydrophobicContact CG2-CD 4.28Å; I328-K332 WeakPolarHBondContact O-CG 3.15Å; I328-K332 PolarHBondContact O-N 3.17Å; I328-K332 VanDerWaalsContact O-N 3.14Å
329F76.5Confident70.3Confident43 Ų4375.9 Ų75.919%0.18938%0.377CS..Hα-helixtrans-64.5-44177.8174.8-97.8000112I279 D280 T325 I326 D327 K332 N333 I433I279-F329 HydrophobicContact CG1-CB 3.95Å; I279-F329 HydrophobicContact CG1-CD1 4.42Å; I279-F329 HydrophobicContact CG1-CG 4.04Å; I279-F329 HydrophobicContact CG2-CB 4.45Å; I279-F329 HydrophobicContact CG2-CD1 4.28Å; I279-F329 HydrophobicContact CG2-CD2 3.6Å; I279-F329 HydrophobicContact CG2-CE2 3.98Å; I279-F329 HydrophobicContact CG2-CG 3.81Å; I279-F329 HydrophobicContact CG2-CZ 4.49Å; D280-F329 HydrophobicContact CB-CZ 4.5Å; T325-F329 WeakPolarHBondContact O-CB 3.48Å; T325-F329 PolarHBondContact O-N 2.74Å; T325-F329 VanDerWaalsContact O-N 3.15Å; I326-F329 WeakPolarHBondContact O-CB 3.34Å; I326-F329 PolarHBondContact O-N 2.91Å; D327-F329 PolarHBondContact O-N 3.42Å; F329-K332 PolarHBondContact O-N 2.86Å; F329-N333 WeakPolarHBondContact O-CB 3.4Å; F329-N333 PolarHBondContact O-N 3.08Å; F329-I433 HydrophobicContact CE1-CD1 4.34Å; F329-I433 HydrophobicContact CE2-CD1 3.34Å; F329-I433 HydrophobicContact CZ-CD1 3.18Å; F329-I433 HydrophobicContact CZ-CG1 4.28Å
330Q77.3Confident67.2Low95 Ų9578 Ų7844%0.44439%0.388SS..Hα-helixtrans-64.1-45.2177.9-72.8176.312.800112I326 D327 K332 N333 E334I326-Q330 HydrophobicContact CG2-CG 4.37Å; I326-Q330 VanDerWaalsContact CG2-NE2 3.26Å; I326-Q330 WeakPolarHBondContact O-CG 3.42Å; I326-Q330 PolarHBondContact O-N 2.82Å; D327-Q330 PolarHBondContact O-N 3.47Å; D327-Q330 VanDerWaalsContact O-N 3.16Å; Q330-K332 VanDerWaalsContact C-N 3.35Å; Q330-K332 PolarHBondContact O-N 2.86Å; Q330-N333 CarbonylContact O-C 3.55Å; Q330-N333 WeakPolarHBondContact O-CB 3.21Å; Q330-N333 PolarHBondContact O-N 2.83Å; Q330-N333 VanDerWaalsContact O-N 3.09Å; Q330-E334 WeakPolarHBondContact O-CG 3.17Å; Q330-E334 PolarHBondContact O-N 2.73Å
331Q70.1Confident64.4Low129 Ų12980 Ų8060%0.60340%0.397SS*.Hα-helixtrans-60-44178.5-171.3-176.916.900111.9D327 N333 E334 T335D327-Q331 WeakPolarHBondContact O-CB 3.41Å; D327-Q331 PolarHBondContact O-N 2.78Å; Q331-N333 VanDerWaalsContact C-N 3.31Å; Q331-N333 PolarHBondContact O-N 2.91Å; Q331-E334 PolarHBondContact O-N 3.36Å; Q331-T335 WeakPolarHBondContact O-CB 3.13Å; Q331-T335 PolarHBondContact O-N 3.28Å; Q331-T335 PolarHBondContact O-OG1 3.48Å
332K57.8Low61.4Low144 Ų14486.7 Ų86.763%0.62643%0.431SS*.Hα-helixtrans-61.4-40.5174.5-73.6178.3-179.7-179.20111.6I328 F329 Q330 F336I328-K332 HydrophobicContact CG2-CD 4.28Å; I328-K332 WeakPolarHBondContact O-CG 3.15Å; I328-K332 PolarHBondContact O-N 3.17Å; I328-K332 VanDerWaalsContact O-N 3.14Å; F329-K332 PolarHBondContact O-N 2.86Å; Q330-K332 VanDerWaalsContact C-N 3.35Å; Q330-K332 PolarHBondContact O-N 2.86Å; K332-F336 WeakPolarHBondContact O-CB 3.42Å; K332-F336 PolarHBondContact O-N 3.49Å; K332-F336 VanDerWaalsContact O-N 3.11Å
333N53.4Low58.4Low51 Ų5191.8 Ų91.827%0.27346%0.462SS..Hα-helixtrans-71.8-35.5179.8-164.815.8000113.1F329 Q330 Q331 F336 K337F329-N333 WeakPolarHBondContact O-CB 3.4Å; F329-N333 PolarHBondContact O-N 3.08Å; Q330-N333 CarbonylContact O-C 3.55Å; Q330-N333 WeakPolarHBondContact O-CB 3.21Å; Q330-N333 PolarHBondContact O-N 2.83Å; Q330-N333 VanDerWaalsContact O-N 3.09Å; Q331-N333 VanDerWaalsContact C-N 3.31Å; Q331-N333 PolarHBondContact O-N 2.91Å; N333-F336 PolarHBondContact O-N 3Å; N333-K337 WeakPolarHBondContact O-CG 3.4Å; N333-K337 PolarHBondContact O-N 3.27Å
334E49.4Very low55.8Low120 Ų12097.8 Ų97.856%0.56149%0.49SS*.Hα-helixtrans-68.7-42.6174.5-74.5-176.1168.900112.1Q330 Q331 F336 K337 N338Q330-E334 WeakPolarHBondContact O-CG 3.17Å; Q330-E334 PolarHBondContact O-N 2.73Å; Q331-E334 PolarHBondContact O-N 3.36Å; E334-F336 PolarHBondContact O-N 3.15Å; E334-K337 PolarHBondContact O-N 3.01Å; E334-K337 VanDerWaalsContact O-N 3.16Å; E334-N338 PolarHBondContact O-N 2.91Å; E334-N338 PolarHBondContact O-ND2 3.35Å
335T37.2Very low53.4Low95 Ų95101.1 Ų101.158%0.58351%0.505SS*.Hα-helixtrans-57.7-39.2173.4-51.90000110.7Q331 A339Q331-T335 WeakPolarHBondContact O-CB 3.13Å; Q331-T335 PolarHBondContact O-N 3.28Å; Q331-T335 PolarHBondContact O-OG1 3.48Å; T335-A339 PolarHBondContact O-N 3.36Å
336F33.9Very low51.3Low105 Ų105105.3 Ų105.346%0.46153%0.531SS..Hα-helixtrans-69.5-40.4175.6-170.5-100.8000113.5K332 N333 E334 A339 L340K332-F336 WeakPolarHBondContact O-CB 3.42Å; K332-F336 PolarHBondContact O-N 3.49Å; K332-F336 VanDerWaalsContact O-N 3.11Å; N333-F336 PolarHBondContact O-N 3Å; E334-F336 PolarHBondContact O-N 3.15Å; F336-A339 PolarHBondContact O-N 2.98Å; F336-L340 HydrophobicContact CD1-CD1 3.72Å; F336-L340 HydrophobicContact CE1-CD1 3.54Å; F336-L340 HydrophobicContact CE1-CG 4.46Å; F336-L340 HydrophobicContact CZ-CD1 4.34Å; F336-L340 WeakPolarHBondContact O-CG 3.4Å; F336-L340 PolarHBondContact O-N 3.45Å
337K35.5Very low49.6Very low118 Ų118108 Ų10851%0.51355%0.55SS.*Hα-helixtrans-68.8-36.1177.7-76.8174.3-175.4171.80113.6N333 E334 A339 L340N333-K337 WeakPolarHBondContact O-CG 3.4Å; N333-K337 PolarHBondContact O-N 3.27Å; E334-K337 PolarHBondContact O-N 3.01Å; E334-K337 VanDerWaalsContact O-N 3.16Å; K337-A339 VanDerWaalsContact C-N 3.28Å; K337-L340 PolarHBondContact O-N 3.32Å
338N35.2Very low48Very low107 Ų107113.6 Ų113.657%0.57257%0.571SS**Hα-helixtrans-67.8-33.2176-72.3-24.5000111.3E334 L340E334-N338 PolarHBondContact O-N 2.91Å; E334-N338 PolarHBondContact O-ND2 3.35Å; N338-L340 PolarHBondContact O-N 3.22Å
339A29.9Very low47.1Very low62 Ų62112.7 Ų112.751%0.51258%0.577SS.*THydrogen-bonded Turntrans-72-9173.200000114.7T335 F336 K337T335-A339 PolarHBondContact O-N 3.36Å; F336-A339 PolarHBondContact O-N 2.98Å; K337-A339 VanDerWaalsContact C-N 3.28Å
340L31.1Very low46.6Very low81 Ų81115.2 Ų115.242%0.42459%0.589SS.*THydrogen-bonded Turntrans-100.3-7.2-179.8-78.4165.7000114F336 K337 N338 D342F336-L340 HydrophobicContact CD1-CD1 3.72Å; F336-L340 HydrophobicContact CE1-CD1 3.54Å; F336-L340 HydrophobicContact CE1-CG 4.46Å; F336-L340 HydrophobicContact CZ-CD1 4.34Å; F336-L340 WeakPolarHBondContact O-CG 3.4Å; F336-L340 PolarHBondContact O-N 3.45Å; K337-L340 PolarHBondContact O-N 3.32Å; N338-L340 PolarHBondContact O-N 3.22Å; L340-D342 PolarHBondContact O-N 2.85Å
341K36.3Very low46.5Very low168 Ų168112.3 Ų112.373%0.7358%0.577SS**THydrogen-bonded Turntrans-75.7-9.1179-87.4-179.5175.1175.40114.2
342D34.1Very low46.6Very low150 Ų150106.3 Ų106.380%0.80255%0.549SS*.THydrogen-bonded Turntrans-97.421.2-175.1-68.7-23000114.2L340L340-D342 PolarHBondContact O-N 2.85Å
343V33.3Very low47.4Very low108 Ų108105.6 Ų105.666%0.65555%0.546SS*.SBendtrans-133.3124.9176.9-166.50000110.7
344E42.1Very low48.2Very low202 Ų202110.7 Ų110.794%0.94456%0.562SS**  trans-74.2125.8-165.5-69.9-179.5144.900115.9
345E42.4Very low49.1Very low166 Ų166107.4 Ų107.478%0.77656%0.555SS**  trans-121.9149.2166.8-137-176.6-171.700108.5S347E345-S347 PolarHBondContact O-N 2.81Å; E345-S347 VanDerWaalsContact O-N 3.09Å
346V45.9Very low50.9Low100 Ų100104.1 Ų104.161%0.60654%0.535SS*.  trans-56.2118.4-177-179.40000110.6E350V346-E350 HydrophobicContact CG1-CB 4.1Å
347S54.6Low52.3Low62 Ų62109.5 Ų109.543%0.43455%0.553SS.*  trans-62.1147.5-174.881.10000111.8E345 A349 E350E345-S347 PolarHBondContact O-N 2.81Å; E345-S347 VanDerWaalsContact O-N 3.09Å; S347-A349 PolarHBondContact O-N 2.81Å; S347-E350 PolarHBondContact O-N 2.87Å; S347-E350 VanDerWaalsContact O-N 3.1Å
348K55.7Low53.8Low189 Ų189109.3 Ų109.382%0.82255%0.549SS*.THydrogen-bonded Turntrans-52.9-18.1175.6-73.2178.7178.5176.80113.9
349A58.3Low55.1Low71 Ų71105.3 Ų105.359%0.58753%0.527SS*.THydrogen-bonded Turntrans-76-19.7-178.600000114.4S347S347-A349 PolarHBondContact O-N 2.81Å
350E64.6Low56.5Low96 Ų96110.7 Ų110.745%0.44953%0.534SS..SBendtrans-103.6-2.6-175.4-61.4-166.8129.400114.2V346 S347 G352 K353 R354V346-E350 HydrophobicContact CG1-CB 4.1Å; S347-E350 PolarHBondContact O-N 2.87Å; S347-E350 VanDerWaalsContact O-N 3.1Å; E350-G352 PolarHBondContact O-N 3.05Å; E350-K353 PolarHBondContact O-N 3.02Å; E350-R354 PolarHBondContact O-N 2.59Å
351L75.9Confident57.7Low34 Ų34110.2 Ų110.218%0.17853%0.532CS..BIsolated β-bridgetrans-61.1125.6-177.4-166.173.8000111K353 A386 C387 C416 I419 L420L351-K353 PolarHBondContact O-N 3.31Å; L351-A386 HydrophobicContact CD1-CB 4.28Å; L351-A386 WeakPolarHBondContact CD1-O 3.23Å; L351-A386 HydrophobicContact CG-CB 4.35Å; L351-C387 HydrophobicContact CD1-CB 4.14Å; L351-C416 HydrophobicContact CD2-CB 4.31Å; L351-I419 HydrophobicContact CD2-CB 4.06Å; L351-I419 HydrophobicContact CD2-CD1 4.1Å; L351-I419 HydrophobicContact CD2-CG2 3.7Å; L351-L420 HydrophobicContact CD2-CG 4.34Å; L351-L420 HydrophobicContact CG-CD2 4.48Å; L351-L420 WeakPolarHBondContact O-CD2 3.43Å
352G71.3Confident58.3Low3 Ų3106.7 Ų106.73%0.03152%0.521CS..THydrogen-bonded Turntrans78.2-11179.300000116E350 E403 Y404E350-G352 PolarHBondContact O-N 3.05Å; G352-E403 PolarHBondContact O-N 2.71Å; G352-Y404 PolarHBondContact O-N 3.36Å
353K75.3Confident59.1Low129 Ų129101.4 Ų101.456%0.56149%0.492SS*.THydrogen-bonded Turntrans-87.9-23.5172.3-63.3-176.8177.8172.90113.2E350 L351 Y404E350-K353 PolarHBondContact O-N 3.02Å; L351-K353 PolarHBondContact O-N 3.31Å; K353-Y404 WeakPolarHBondContact O-CB 3.38Å
354R71.1Confident59.9Low159 Ų15996.3 Ų96.360%0.646%0.461SS*.BIsolated β-bridgetrans-128.4146.9175.5-165.8177.196.4115.3-3.7110.3E350 Y404E350-R354 PolarHBondContact O-N 2.59Å; R354-Y404 VanDerWaalsContact C-CD1 3.44Å; R354-Y404 WeakPolarHBondContact O-CD1 3.21Å
355A68.1Low60.8Low51 Ų5188.8 Ų88.842%0.42143%0.429SS..PPolyproline II helixtrans-62.7127.1172.900000110Y404A355-Y404 HydrophobicContact CB-CD2 3.59Å; A355-Y404 HydrophobicContact CB-CE2 3.57Å; A355-Y404 HydrophobicContact CB-CG 4.15Å
356P74.5Confident61.8Low25 Ų2581.3 Ų81.316%0.16239%0.394CS..PPolyproline II helixtrans-74.1156.1175.932.5-36.5000110.5W358 R385P356-W358 PolarHBondContact O-N 3.12Å; P356-R385 WeakPolarHBondContact CD-O 3.32Å; P356-R385 VanDerWaalsContact CG-O 3.23Å; P356-R385 WeakPolarHBondContact CG-O 3.29Å
357R63.8Low63.1Low219 Ų21976.6 Ų76.683%0.82637%0.365SS*.PPolyproline II helixtrans-68121.1163.7-176.5178.8173.5-180-2.1108.4
358W65.6Low63.8Low113 Ų11374.4 Ų74.443%0.42835%0.348SS..PPolyproline II helixtrans-78.4133.4176.4-78.429.6000110.6P356 H383 R385P356-W358 PolarHBondContact O-N 3.12Å; W358-H383 HydrophobicContact CD2-CB 3.94Å; W358-H383 HydrophobicContact CE3-CB 3.7Å; W358-H383 AromaticContact CE3-CD2 3.74Å; W358-H383 AromaticContact CE3-CG 3.46Å; W358-H383 VanDerWaalsContact CE3-CG 3.46Å; W358-H383 AromaticContact CE3-ND1 3.9Å; W358-H383 HydrophobicContact CH2-CB 4.14Å; W358-H383 HydrophobicContact CZ2-CB 4.33Å; W358-H383 HydrophobicContact CZ3-CB 3.8Å; W358-H383 AromaticContact CZ3-CG 3.79Å; W358-H383 AromaticContact CZ3-ND1 3.93Å; W358-R385 HydrophobicContact CZ2-CG 3.92Å
359I62.5Low64.7Low23 Ų2368 Ų6812%0.11832%0.32CS..PPolyproline II helixtrans-79.5126.5171.8-64.3175.5000107.6E363 V364 M368 H383 G388 Y389 V390 Q483I359-E363 HydrophobicContact CG2-CB 3.83Å; I359-V364 HydrophobicContact CB-CG2 4.47Å; I359-V364 HydrophobicContact CG2-CG2 3.34Å; I359-M368 HydrophobicContact CD1-CE 3.53Å; I359-M368 HydrophobicContact CD1-SD 3.99Å; I359-M368 HydrophobicContact CG2-CE 4.11Å; I359-H383 PolarHBondContact O-CD2 3.26Å; I359-H383 PolarHBondContact O-NE2 3.09Å; I359-G388 PolarHBondContact N-O 3Å; I359-G388 VanDerWaalsContact N-O 3.12Å; I359-Y389 HydrophobicContact CD1-CD1 3.72Å; I359-Y389 HydrophobicContact CD1-CE1 4.07Å; I359-V390 HydrophobicContact CB-CG2 4.19Å; I359-V390 HydrophobicContact CG2-CG2 4.13Å; I359-V390 WeakPolarHBondContact O-CG2 3.16Å; I359-Q483 HydrophobicContact CD1-CB 4.32Å; I359-Q483 HydrophobicContact CD1-CG 4.1Å; I359-Q483 HydrophobicContact CG1-CG 4.46Å; I359-Q483 HydrophobicContact CG2-CB 4.18Å; I359-Q483 HydrophobicContact CG2-CG 3.49Å; I359-Q483 VanDerWaalsContact CG2-CG 3.49Å
360R59.5Low65Low175 Ų17566.6 Ų66.666%0.6631%0.306SS*.PPolyproline II helixtrans-67.4150-176.8-57.6178-179.7-176.80.5110.8N362 E363R360-N362 VanDerWaalsContact C-N 3.26Å; R360-N362 WeakPolarHBondContact CB-OD1 3.34Å; R360-N362 PolarHBondContact O-N 3.02Å; R360-E363 HydrophobicContact CB-CG 4.04Å; R360-E363 WeakPolarHBondContact CB-OE1 3.41Å; R360-E363 WeakPolarHBondContact CD-OE1 3.03Å; R360-E363 VanDerWaalsContact CG-OE1 3.28Å; R360-E363 WeakPolarHBondContact CG-OE1 3.39Å; R360-E363 WeakPolarHBondContact O-CA 3.37Å; R360-E363 VanDerWaalsContact O-CB 3.29Å; R360-E363 WeakPolarHBondContact O-CB 3.17Å; R360-E363 PolarHBondContact O-N 3.05Å
361D56.7Low64.8Low72 Ų7265 Ų6539%0.38530%0.296SS..G310 helixtrans-62.1-31.9-174.6-87-26.3000114.1E363 V364 R381 H383D361-E363 PolarHBondContact O-N 2.89Å; D361-V364 PolarHBondContact O-N 3.31Å; D361-V364 VanDerWaalsContact O-O 3.06Å; D361-R381 PolarHBondContact O-NE 2.95Å; D361-H383 IonicContact OD1-CE1 2.67Å; D361-H383 PolarHBondContact OD1-CE1 3.5Å; D361-H383 IonicContact OD1-ND1 3.35Å; D361-H383 IonicContact OD1-NE2 2.68Å; D361-H383 IonicContact OD2-CE1 3.38Å
362N49.8Very low64Low94 Ų9468 Ų6850%0.50331%0.309SS..G310 helixtrans-74.2-12.1175.162.3-19.3000112.7R360 V364 F450R360-N362 VanDerWaalsContact C-N 3.26Å; R360-N362 WeakPolarHBondContact CB-OD1 3.34Å; R360-N362 PolarHBondContact O-N 3.02Å; N362-V364 VanDerWaalsContact C-N 3.3Å; N362-F450 WeakPolarHBondContact O-CZ 3.44Å
363E49.5Very low63.3Low39 Ų3971.8 Ų71.818%0.18233%0.333CS..G310 helixtrans-86.6-1.1175.7-62.4175.3-142.800112.7I359 R360 D361 A481 P482 Q483I359-E363 HydrophobicContact CG2-CB 3.83Å; R360-E363 HydrophobicContact CB-CG 4.04Å; R360-E363 WeakPolarHBondContact CB-OE1 3.41Å; R360-E363 WeakPolarHBondContact CD-OE1 3.03Å; R360-E363 VanDerWaalsContact CG-OE1 3.28Å; R360-E363 WeakPolarHBondContact CG-OE1 3.39Å; R360-E363 WeakPolarHBondContact O-CA 3.37Å; R360-E363 VanDerWaalsContact O-CB 3.29Å; R360-E363 WeakPolarHBondContact O-CB 3.17Å; R360-E363 PolarHBondContact O-N 3.05Å; D361-E363 PolarHBondContact O-N 2.89Å; E363-A481 CarbonylContact O-C 3.39Å; E363-A481 WeakPolarHBondContact O-CB 3.46Å; E363-P482 HydrophobicContact CB-CB 4.21Å; E363-P482 HydrophobicContact CB-CG 3.87Å; E363-P482 HydrophobicContact CG-CG 4.1Å; E363-P482 WeakPolarHBondContact O-CD 3.27Å; E363-P482 VanDerWaalsContact O-N 3.12Å; E363-Q483 HydrophobicContact CB-CG 4.11Å; E363-Q483 PolarHBondContact O-N 3.02Å; E363-Q483 PolarHBondContact OE2-NE2 2.83Å
364V51.3Low62.7Low0 Ų066.6 Ų66.60%031%0.31CS..  trans-139.4129.1-177.1-157.60000112.6I359 D361 N362 M366 M368 F374 R381 V390 Q483 D484I359-V364 HydrophobicContact CB-CG2 4.47Å; I359-V364 HydrophobicContact CG2-CG2 3.34Å; D361-V364 PolarHBondContact O-N 3.31Å; D361-V364 VanDerWaalsContact O-O 3.06Å; N362-V364 VanDerWaalsContact C-N 3.3Å; V364-M366 WeakPolarHBondContact CG1-O 3.39Å; V364-M368 HydrophobicContact CB-CE 4.23Å; V364-M368 HydrophobicContact CG1-CE 3.73Å; V364-M368 HydrophobicContact CG1-CG 3.99Å; V364-M368 HydrophobicContact CG1-SD 4.42Å; V364-M368 HydrophobicContact CG2-CE 3.4Å; V364-M368 VanDerWaalsContact CG2-CE 3.4Å; V364-M368 HydrophobicContact CG2-SD 4.44Å; V364-F374 HydrophobicContact CB-CE2 4.48Å; V364-F374 HydrophobicContact CG1-CE2 4.02Å; V364-R381 PolarHBondContact O-NE 3.49Å; V364-R381 PolarHBondContact O-NH2 3.42Å; V364-V390 HydrophobicContact CB-CB 3.82Å; V364-V390 HydrophobicContact CB-CG1 4.21Å; V364-V390 HydrophobicContact CB-CG2 4.06Å; V364-V390 HydrophobicContact CG1-CB 4.08Å; V364-V390 HydrophobicContact CG2-CB 3.62Å; V364-V390 HydrophobicContact CG2-CG1 4.44Å; V364-V390 HydrophobicContact CG2-CG2 3.39Å; V364-Q483 HydrophobicContact CG2-CB 4.05Å; V364-Q483 HydrophobicContact CG2-CG 4.36Å; V364-D484 WeakPolarHBondContact CG1-OD1 3.44Å
365T60.7Low62.6Low44 Ų4462.3 Ų62.327%0.2730%0.299SS..SBendtrans-115-13.1174.567.70000113.9F374 G480 A481 D484T365-F374 VanDerWaalsContact O-CD2 3.29Å; T365-F374 WeakPolarHBondContact O-CD2 3.35Å; T365-F374 PolarHBondContact O-N 3.46Å; T365-G480 WeakPolarHBondContact CG2-O 3.17Å; T365-G480 VanDerWaalsContact OG1-C 3.23Å; T365-G480 WeakPolarHBondContact OG1-CA 3.46Å; T365-A481 HydrophobicContact CG2-CB 3.82Å; T365-D484 PolarHBondContact N-OD1 2.91Å; T365-D484 PolarHBondContact OG1-OD2 3.17Å
366M63.8Low62.3Low10 Ų1063.8 Ų63.85%0.04931%0.312CS..BIsolated β-bridgetrans-126.5155.1172.169.3-168.963.700112.5V364 M368 E372 F374 D484 K486 L488V364-M366 WeakPolarHBondContact CG1-O 3.39Å; M366-M368 PolarHBondContact O-N 3.41Å; M366-E372 WeakPolarHBondContact CA-O 3.19Å; M366-F374 WeakPolarHBondContact O-CE2 3.48Å; M366-D484 HydrophobicContact CE-CB 3.68Å; M366-D484 WeakPolarHBondContact CE-OD2 3.39Å; M366-D484 HydrophobicContact CG-CB 3.85Å; M366-D484 WeakPolarHBondContact CG-OD1 3.19Å; M366-D484 PolarHBondContact N-OD1 2.61Å; M366-D484 HydrophobicContact SD-CB 3.78Å; M366-K486 HydrophobicContact SD-CB 4.42Å; M366-L488 HydrophobicContact CE-CD2 4.35Å
367C72.6Confident61.5Low0 Ų069.7 Ų69.70%034%0.34CS..  trans-61.8122.3177.8176.90000111.2K369 C370 R371 E372 F374 C392C367-K369 PolarHBondContact O-N 3.44Å; C367-C370 VanDerWaalsContact CB-SG 3.55Å; C367-R371 WeakPolarHBondContact O-CA 3.22Å; C367-R371 PolarHBondContact O-N 2.93Å; C367-E372 PolarHBondContact N-O 2.95Å; C367-F374 VanDerWaalsContact CA-CZ 3.43Å; C367-F374 HydrophobicContact CB-CE1 4.07Å; C367-F374 HydrophobicContact CB-CZ 3.98Å; C367-C392 HydrophobicContact CB-CB 4.16Å; C367-C392 PolarHBondContact SG-N 2.85Å
368M69.8Low61.6Low16 Ų1663.9 Ų63.98%0.07933%0.329CS..THydrogen-bonded Turntrans-67.2-0.2-179.8-67.2170.9158.700115.3I359 V364 M366 Y389 V390 V391 Q483I359-M368 HydrophobicContact CD1-CE 3.53Å; I359-M368 HydrophobicContact CD1-SD 3.99Å; I359-M368 HydrophobicContact CG2-CE 4.11Å; V364-M368 HydrophobicContact CB-CE 4.23Å; V364-M368 HydrophobicContact CG1-CE 3.73Å; V364-M368 HydrophobicContact CG1-CG 3.99Å; V364-M368 HydrophobicContact CG1-SD 4.42Å; V364-M368 HydrophobicContact CG2-CE 3.4Å; V364-M368 VanDerWaalsContact CG2-CE 3.4Å; V364-M368 HydrophobicContact CG2-SD 4.44Å; M366-M368 PolarHBondContact O-N 3.41Å; M368-Y389 HydrophobicContact CB-CD2 3.97Å; M368-Y389 HydrophobicContact CB-CG 4.38Å; M368-Y389 VanDerWaalsContact SD-CA 3.58Å; M368-Y389 WeakPolarHBondContact SD-CB 3.42Å; M368-Y389 HydrophobicContact SD-CD1 4.08Å; M368-Y389 HydrophobicContact SD-CD2 4.03Å; M368-Y389 HydrophobicContact SD-CG 3.6Å; M368-Y389 VanDerWaalsContact SD-CG 3.6Å; M368-V390 WeakPolarHBondContact CB-O 3.46Å; M368-V390 VanDerWaalsContact CG-O 3.31Å; M368-V390 WeakPolarHBondContact CG-O 3.09Å; M368-V390 PolarHBondContact N-O 2.85Å; M368-V390 VanDerWaalsContact N-O 3.1Å; M368-V390 HydrophobicContact SD-CB 4.38Å; M368-V390 PolarHBondContact SD-N 2.65Å; M368-V391 HydrophobicContact CB-CG1 4.34Å; M368-Q483 HydrophobicContact CE-CB 2.99Å; M368-Q483 HydrophobicContact CE-CG 3.96Å; M368-Q483 VanDerWaalsContact CE-O 3.3Å; M368-Q483 WeakPolarHBondContact CE-O 3.36Å
369K73.7Confident62Low55 Ų5560.5 Ų60.524%0.23932%0.316CS..THydrogen-bonded Turntrans-112-53.8176.5-63.2-58.7-177.6-173.80112.5C367 V391 C395 C413 D415C367-K369 PolarHBondContact O-N 3.44Å; K369-V391 HydrophobicContact CB-CG1 4.4Å; K369-V391 HydrophobicContact CG-CB 4.48Å; K369-V391 HydrophobicContact CG-CG1 3.6Å; K369-C395 HydrophobicContact CB-CB 3.94Å; K369-C395 HydrophobicContact CG-CB 4.43Å; K369-C413 WeakPolarHBondContact CE-SG 3.03Å; K369-C413 HydrophobicContact CG-CB 4.19Å; K369-D415 VanDerWaalsContact CD-OD2 3.31Å; K369-D415 WeakPolarHBondContact CD-OD2 3.41Å; K369-D415 VanDerWaalsContact CE-OD2 3.26Å; K369-D415 WeakPolarHBondContact CE-OD2 3.37Å; K369-D415 IonicContact NZ-OD2 3.69Å; K369-D415 PolarHBondContact NZ-OD2 3.02Å
370C65.1Low62.6Low41 Ų4167.1 Ų67.128%0.27734%0.34SS..THydrogen-bonded Turntrans-98.3-5.9-177.773.90000114.5C367 E372 R379 C395C367-C370 VanDerWaalsContact CB-SG 3.55Å; C370-E372 PolarHBondContact O-N 3.2Å; C370-R379 PolarHBondContact SG-NH1 2.93Å; C370-C395 VanDerWaalsContact CB-SG 3.56Å; C370-C395 VanDerWaalsContact SG-SG 3.7Å
371R61.3Low63.6Low63 Ų6363.2 Ų63.224%0.23833%0.325CS..  trans66.616.5174.7-41.9-173.6178.1129.87.3115.5C367 E435 V485C367-R371 WeakPolarHBondContact O-CA 3.22Å; C367-R371 PolarHBondContact O-N 2.93Å; R371-E435 IonicContact CZ-OE1 3.77Å; R371-E435 IonicContact CZ-OE2 3.86Å; R371-E435 IonicContact NH1-OE1 2.98Å; R371-E435 PolarHBondContact NH1-OE1 2.79Å; R371-E435 IonicContact NH1-OE2 3.53Å; R371-E435 PolarHBondContact NH1-OE2 3.26Å; R371-E435 IonicContact NH2-OE2 2.68Å; R371-V485 HydrophobicContact CB-CG2 4.24Å; R371-V485 HydrophobicContact CG-CG2 3.54Å
372E58.8Low64.9Low98 Ų9862.3 Ų62.346%0.45832%0.318SS..PPolyproline II helixtrans-91135.9178.8-68.4-73.1155.600110.3M366 C367 C370M366-E372 WeakPolarHBondContact CA-O 3.19Å; C367-E372 PolarHBondContact N-O 2.95Å; C370-E372 PolarHBondContact O-N 3.2Å
373P55.7Low66.6Low81 Ų8158.8 Ų58.853%0.52630%0.299SS..BIsolated β-bridgetrans-59.4141.5-179.3-22.432.2000112.8R379P373-R379 WeakPolarHBondContact O-CD 3.42Å
374F62.8Low68.3Low20 Ų2057 Ų579%0.08829%0.29CS..PPolyproline II helixtrans-74.5147.7171.5-65.4-61.9000111V364 T365 M366 C367 R379 R381 V390 C392V364-F374 HydrophobicContact CB-CE2 4.48Å; V364-F374 HydrophobicContact CG1-CE2 4.02Å; T365-F374 VanDerWaalsContact O-CD2 3.29Å; T365-F374 WeakPolarHBondContact O-CD2 3.35Å; T365-F374 PolarHBondContact O-N 3.46Å; M366-F374 WeakPolarHBondContact O-CE2 3.48Å; C367-F374 VanDerWaalsContact CA-CZ 3.43Å; C367-F374 HydrophobicContact CB-CE1 4.07Å; C367-F374 HydrophobicContact CB-CZ 3.98Å; F374-R379 CarbonylContact C-O 3.59Å; F374-R379 VanDerWaalsContact CA-O 3.28Å; F374-R379 WeakPolarHBondContact CA-O 3.46Å; F374-R379 WeakPolarHBondContact CB-O 3.27Å; F374-R379 HydrophobicContact CD1-CG 4.4Å; F374-R379 WeakPolarHBondContact CD1-O 3.36Å; F374-R381 HydrophobicContact CB-CG 4.19Å; F374-R381 HydrophobicContact CD1-CG 3.96Å; F374-R381 HydrophobicContact CD2-CG 3.62Å; F374-R381 HydrophobicContact CE1-CG 4.18Å; F374-R381 HydrophobicContact CE2-CG 3.88Å; F374-R381 HydrophobicContact CG-CG 3.67Å; F374-R381 HydrophobicContact CZ-CG 4.14Å; F374-V390 HydrophobicContact CE2-CG1 3.83Å; F374-V390 HydrophobicContact CZ-CG1 3.84Å; F374-C392 HydrophobicContact CD1-CB 4.45Å; F374-C392 HydrophobicContact CE1-CB 3.87Å
375N68.7Low69.9Low69 Ų6960.2 Ų60.237%0.36930%0.303SS..BIsolated β-bridgetrans-146.2156.3171.57059.7000110.3I377 T378 R379N375-I377 PolarHBondContact O-N 2.86Å; N375-I377 PolarHBondContact OD1-N 3.35Å; N375-T378 PolarHBondContact ND2-OG1 3.06Å; N375-T378 PolarHBondContact OD1-N 2.94Å; N375-T378 PolarHBondContact OD1-OG1 3.46Å; N375-R379 PolarHBondContact N-O 3.3Å; N375-R379 CarbonylContact O-C 3.52Å; N375-R379 PolarHBondContact O-N 3.16Å; N375-R379 PolarHBondContact OD1-N 3.09Å
376A61.8Low70.8Confident83 Ų8358.3 Ų58.369%0.68629%0.291SS*.THydrogen-bonded Turntrans-66.1-21.6-169.400000114.5R380A376-R380 PolarHBondContact O-NE 2.9Å; A376-R380 VanDerWaalsContact O-NE 3.14Å
377I58.9Low71.4Confident148 Ų14859.2 Ų59.276%0.75930%0.298SS*.THydrogen-bonded Turntrans-104.7-52.7-167.6-55.9176.2000111.6N375N375-I377 PolarHBondContact O-N 2.86Å; N375-I377 PolarHBondContact OD1-N 3.35Å
378T64.9Low71.5Confident98 Ų9859.2 Ų59.260%0.60130%0.298SS*.THydrogen-bonded Turntrans-109.7-15.2-170.761.20000114.2N375N375-T378 PolarHBondContact ND2-OG1 3.06Å; N375-T378 PolarHBondContact OD1-N 2.94Å; N375-T378 PolarHBondContact OD1-OG1 3.46Å
379R73.4Confident72Confident42 Ų4262 Ų6216%0.15831%0.309CS..BIsolated β-bridgetrans-144.571.1-172.8-155176.2-101.9-89.614.6112C370 P373 F374 N375 C392C370-R379 PolarHBondContact SG-NH1 2.93Å; P373-R379 WeakPolarHBondContact O-CD 3.42Å; F374-R379 CarbonylContact C-O 3.59Å; F374-R379 VanDerWaalsContact CA-O 3.28Å; F374-R379 WeakPolarHBondContact CA-O 3.46Å; F374-R379 WeakPolarHBondContact CB-O 3.27Å; F374-R379 HydrophobicContact CD1-CG 4.4Å; F374-R379 WeakPolarHBondContact CD1-O 3.36Å; N375-R379 PolarHBondContact N-O 3.3Å; N375-R379 CarbonylContact O-C 3.52Å; N375-R379 PolarHBondContact O-N 3.16Å; N375-R379 PolarHBondContact OD1-N 3.09Å; R379-C392 HydrophobicContact CG-CB 3.85Å; R379-C392 PolarHBondContact NH1-SG 3.03Å
380R76.3Confident72.3Confident162 Ų16259.4 Ų59.461%0.61130%0.297SS*.  trans-74.4159.9178.5-62.2-177.8-179.8174.72112.8A376 H382A376-R380 PolarHBondContact O-NE 2.9Å; A376-R380 VanDerWaalsContact O-NE 3.14Å; R380-H382 PolarHBondContact O-CD2 2.8Å
381R79.7Confident73.2Confident92 Ų9257.5 Ų57.535%0.34728%0.284SS..EExtended strand (participates in β ladder)trans-84.9142.7-178-69178.9178.877-0.2112D361 V364 F374 V390D361-R381 PolarHBondContact O-NE 2.95Å; V364-R381 PolarHBondContact O-NE 3.49Å; V364-R381 PolarHBondContact O-NH2 3.42Å; F374-R381 HydrophobicContact CB-CG 4.19Å; F374-R381 HydrophobicContact CD1-CG 3.96Å; F374-R381 HydrophobicContact CD2-CG 3.62Å; F374-R381 HydrophobicContact CE1-CG 4.18Å; F374-R381 HydrophobicContact CE2-CG 3.88Å; F374-R381 HydrophobicContact CG-CG 3.67Å; F374-R381 HydrophobicContact CZ-CG 4.14Å; R381-V390 HydrophobicContact CB-CG1 3.78Å; R381-V390 HydrophobicContact CG-CG1 3.89Å
382H85.4Confident74.2Confident53 Ų5354.5 Ų54.525%0.24527%0.273CS..EExtended strand (participates in β ladder)trans-147.4135.8175.2-53-76000111.3R380 V390 V391 W393 K411R380-H382 PolarHBondContact O-CD2 2.8Å; H382-V390 WeakPolarHBondContact O-CA 3.34Å; H382-V391 WeakPolarHBondContact CB-O 3.38Å; H382-V391 PolarHBondContact N-O 2.92Å; H382-V391 WeakPolarHBondContact O-CG2 3.36Å; H382-V391 PolarHBondContact O-N 2.87Å; H382-W393 PolarHBondContact CD2-N 2.88Å; H382-W393 VanDerWaalsContact CD2-N 3.31Å; H382-K411 HydrophobicContact CB-CD 4.19Å
383H83.6Confident75.3Confident21 Ų2155.1 Ų55.110%0.09727%0.271CS..EExtended strand (participates in β ladder)trans-84.1136.2174.3-59.478.2000113.5W358 I359 D361 R385 Y389W358-H383 HydrophobicContact CD2-CB 3.94Å; W358-H383 HydrophobicContact CE3-CB 3.7Å; W358-H383 AromaticContact CE3-CD2 3.74Å; W358-H383 AromaticContact CE3-CG 3.46Å; W358-H383 VanDerWaalsContact CE3-CG 3.46Å; W358-H383 AromaticContact CE3-ND1 3.9Å; W358-H383 HydrophobicContact CH2-CB 4.14Å; W358-H383 HydrophobicContact CZ2-CB 4.33Å; W358-H383 HydrophobicContact CZ3-CB 3.8Å; W358-H383 AromaticContact CZ3-CG 3.79Å; W358-H383 AromaticContact CZ3-ND1 3.93Å; I359-H383 PolarHBondContact O-CD2 3.26Å; I359-H383 PolarHBondContact O-NE2 3.09Å; D361-H383 IonicContact OD1-CE1 2.67Å; D361-H383 PolarHBondContact OD1-CE1 3.5Å; D361-H383 IonicContact OD1-ND1 3.35Å; D361-H383 IonicContact OD1-NE2 2.68Å; D361-H383 IonicContact OD2-CE1 3.38Å; H383-R385 WeakPolarHBondContact O-CD 3.46Å; H383-R385 PolarHBondContact O-NH1 2.84Å; H383-Y389 CarbonylContact C-O 3.58Å; H383-Y389 WeakPolarHBondContact CA-O 3.42Å
384C85.8Confident76.6Confident0 Ų056.6 Ų56.60%027%0.269CS..  trans-73.6121164.1-179.40000109.6A386 G388 Y389 C413C384-A386 PolarHBondContact O-N 3.19Å; C384-G388 WeakPolarHBondContact O-CA 3.15Å; C384-G388 PolarHBondContact O-N 2.84Å; C384-Y389 PolarHBondContact N-O 2.99Å; C384-C413 HydrophobicContact CB-CB 4.19Å; C384-C413 PolarHBondContact SG-N 2.88Å
385R85.1Confident77.5Confident69 Ų6956.2 Ų56.226%0.2627%0.269SS..THydrogen-bonded Turntrans-72.4-14.2178.7-80.955.7167.5167.55.9113.6P356 W358 H383 L402 Y404 N410 K411P356-R385 WeakPolarHBondContact CD-O 3.32Å; P356-R385 VanDerWaalsContact CG-O 3.23Å; P356-R385 WeakPolarHBondContact CG-O 3.29Å; W358-R385 HydrophobicContact CZ2-CG 3.92Å; H383-R385 WeakPolarHBondContact O-CD 3.46Å; H383-R385 PolarHBondContact O-NH1 2.84Å; R385-L402 HydrophobicContact CB-CD1 3.41Å; R385-L402 VanDerWaalsContact CB-CD1 3.41Å; R385-Y404 WeakPolarHBondContact O-CE1 3.26Å; R385-Y404 PolarHBondContact O-OH 3.43Å; R385-N410 HydrophobicContact CB-CB 3.83Å; R385-N410 HydrophobicContact CG-CB 3.99Å; R385-N410 WeakPolarHBondContact CG-OD1 3.36Å; R385-K411 WeakPolarHBondContact CB-O 3.38Å; R385-K411 WeakPolarHBondContact CD-O 3.47Å; R385-K411 PolarHBondContact N-O 2.76Å
386A78.9Confident78.4Confident3 Ų352.9 Ų52.93%0.02525%0.251CS..THydrogen-bonded Turntrans-91.7-39.717900000113.7L351 C384 L402 V412 C416 L420L351-A386 HydrophobicContact CD1-CB 4.28Å; L351-A386 WeakPolarHBondContact CD1-O 3.23Å; L351-A386 HydrophobicContact CG-CB 4.35Å; C384-A386 PolarHBondContact O-N 3.19Å; A386-L402 HydrophobicContact CB-CD2 4.12Å; A386-V412 HydrophobicContact CB-CB 4.47Å; A386-V412 HydrophobicContact CB-CG1 3.68Å; A386-C416 HydrophobicContact CB-CB 3.73Å; A386-L420 HydrophobicContact CB-CD1 3.74Å
387C76.9Confident79.6Confident29 Ų2953.9 Ų53.920%0.19625%0.245CC..THydrogen-bonded Turntrans-119.2-2.4-177.474.10000114.6L351 Y389 C416L351-C387 HydrophobicContact CD1-CB 4.14Å; C387-Y389 WeakPolarHBondContact O-CD1 3.48Å; C387-Y389 PolarHBondContact O-N 3.24Å; C387-Y389 VanDerWaalsContact SG-CG 3.58Å; C387-C416 VanDerWaalsContact CB-SG 3.6Å; C387-C416 VanDerWaalsContact SG-SG 3.66Å
388G74.9Confident80.8Confident0 Ų049.2 Ų49.20%022%0.222CC..  trans78.3-3.8176.800000115.9I359 C384I359-G388 PolarHBondContact N-O 3Å; I359-G388 VanDerWaalsContact N-O 3.12Å; C384-G388 WeakPolarHBondContact O-CA 3.15Å; C384-G388 PolarHBondContact O-N 2.84Å
389Y80.7Confident82Confident76 Ų7650.6 Ų50.630%0.29822%0.219SC..  trans-70.1146.1-175.9-75.711.8000113.4I359 M368 H383 C384 C387I359-Y389 HydrophobicContact CD1-CD1 3.72Å; I359-Y389 HydrophobicContact CD1-CE1 4.07Å; M368-Y389 HydrophobicContact CB-CD2 3.97Å; M368-Y389 HydrophobicContact CB-CG 4.38Å; M368-Y389 VanDerWaalsContact SD-CA 3.58Å; M368-Y389 WeakPolarHBondContact SD-CB 3.42Å; M368-Y389 HydrophobicContact SD-CD1 4.08Å; M368-Y389 HydrophobicContact SD-CD2 4.03Å; M368-Y389 HydrophobicContact SD-CG 3.6Å; M368-Y389 VanDerWaalsContact SD-CG 3.6Å; H383-Y389 CarbonylContact C-O 3.58Å; H383-Y389 WeakPolarHBondContact CA-O 3.42Å; C384-Y389 PolarHBondContact N-O 2.99Å; C387-Y389 WeakPolarHBondContact O-CD1 3.48Å; C387-Y389 PolarHBondContact O-N 3.24Å; C387-Y389 VanDerWaalsContact SG-CG 3.58Å
390V80.1Confident82.8Confident0 Ų049.2 Ų49.20%022%0.215CC..EExtended strand (participates in β ladder)trans-89.6120173.6-169.90000110.3I359 V364 M368 F374 R381 H382I359-V390 HydrophobicContact CB-CG2 4.19Å; I359-V390 HydrophobicContact CG2-CG2 4.13Å; I359-V390 WeakPolarHBondContact O-CG2 3.16Å; V364-V390 HydrophobicContact CB-CB 3.82Å; V364-V390 HydrophobicContact CB-CG1 4.21Å; V364-V390 HydrophobicContact CB-CG2 4.06Å; V364-V390 HydrophobicContact CG1-CB 4.08Å; V364-V390 HydrophobicContact CG2-CB 3.62Å; V364-V390 HydrophobicContact CG2-CG1 4.44Å; V364-V390 HydrophobicContact CG2-CG2 3.39Å; M368-V390 WeakPolarHBondContact CB-O 3.46Å; M368-V390 VanDerWaalsContact CG-O 3.31Å; M368-V390 WeakPolarHBondContact CG-O 3.09Å; M368-V390 PolarHBondContact N-O 2.85Å; M368-V390 VanDerWaalsContact N-O 3.1Å; M368-V390 HydrophobicContact SD-CB 4.38Å; M368-V390 PolarHBondContact SD-N 2.65Å; F374-V390 HydrophobicContact CE2-CG1 3.83Å; F374-V390 HydrophobicContact CZ-CG1 3.84Å; R381-V390 HydrophobicContact CB-CG1 3.78Å; R381-V390 HydrophobicContact CG-CG1 3.89Å; H382-V390 WeakPolarHBondContact O-CA 3.34Å
391V82.9Confident83.4Confident0 Ų046.3 Ų46.30%021%0.208CC..EExtended strand (participates in β ladder)trans-137.6159.5-172.6-580000111.1M368 K369 H382 C395 S396 C413M368-V391 HydrophobicContact CB-CG1 4.34Å; K369-V391 HydrophobicContact CB-CG1 4.4Å; K369-V391 HydrophobicContact CG-CB 4.48Å; K369-V391 HydrophobicContact CG-CG1 3.6Å; H382-V391 WeakPolarHBondContact CB-O 3.38Å; H382-V391 PolarHBondContact N-O 2.92Å; H382-V391 WeakPolarHBondContact O-CG2 3.36Å; H382-V391 PolarHBondContact O-N 2.87Å; V391-C395 HydrophobicContact CB-CB 4.06Å; V391-S396 VanDerWaalsContact CG2-CB 3.44Å; V391-C413 HydrophobicContact CG1-CB 4.34Å; V391-C413 HydrophobicContact CG2-CB 4.47Å
392C82.1Confident83.6Confident0 Ų042 Ų420%019%0.192CC..EExtended strand (participates in β ladder)trans-78.7165.9175.6760000111.6C367 F374 R379 K394 C395 S396C367-C392 HydrophobicContact CB-CB 4.16Å; C367-C392 PolarHBondContact SG-N 2.85Å; F374-C392 HydrophobicContact CD1-CB 4.45Å; F374-C392 HydrophobicContact CE1-CB 3.87Å; R379-C392 HydrophobicContact CG-CB 3.85Å; R379-C392 PolarHBondContact NH1-SG 3.03Å; C392-K394 VanDerWaalsContact C-N 3.29Å; C392-K394 PolarHBondContact O-N 2.86Å; C392-C395 CarbonylContact O-C 3.14Å; C392-C395 WeakPolarHBondContact O-CA 3.36Å; C392-C395 PolarHBondContact O-N 2.86Å; C392-S396 PolarHBondContact O-N 2.77Å; C392-S396 VanDerWaalsContact O-N 3.13Å; C392-S396 PolarHBondContact O-OG 3.27Å
393W82.2Confident83.3Confident111 Ų11143.9 Ų43.942%0.4220%0.201SC..G310 helixtrans-57.2-42.5-179.775-93.9000111.8H382 C395 S396 D397H382-W393 PolarHBondContact CD2-N 2.88Å; H382-W393 VanDerWaalsContact CD2-N 3.31Å; W393-C395 PolarHBondContact O-N 2.89Å; W393-C395 VanDerWaalsContact O-N 3.08Å; W393-S396 CarbonylContact O-C 3.39Å; W393-S396 PolarHBondContact O-N 2.85Å; W393-D397 PolarHBondContact O-N 2.85Å; W393-D397 VanDerWaalsContact O-N 3.07Å
394K83.1Confident83.4Confident112 Ų11246.1 Ų46.149%0.48721%0.209SC..G310 helixtrans-60.2-21.9176.4-61.9-172.3177-175.60113.8C392 K414C392-K394 VanDerWaalsContact C-N 3.29Å; C392-K394 PolarHBondContact O-N 2.86Å; K394-K414 WeakPolarHBondContact O-CE 3.39Å; K394-K414 PolarHBondContact O-NZ 3Å
395C81.4Confident83.2Confident12 Ų1248.3 Ų48.38%0.08122%0.221CC..G310 helixtrans-101.8-4.8179.5-69.50000113.1K369 C370 V391 C392 W393 C413 K414K369-C395 HydrophobicContact CB-CB 3.94Å; K369-C395 HydrophobicContact CG-CB 4.43Å; C370-C395 VanDerWaalsContact CB-SG 3.56Å; C370-C395 VanDerWaalsContact SG-SG 3.7Å; V391-C395 HydrophobicContact CB-CB 4.06Å; C392-C395 CarbonylContact O-C 3.14Å; C392-C395 WeakPolarHBondContact O-CA 3.36Å; C392-C395 PolarHBondContact O-N 2.86Å; W393-C395 PolarHBondContact O-N 2.89Å; W393-C395 VanDerWaalsContact O-N 3.08Å; C395-C413 VanDerWaalsContact O-CA 3.25Å; C395-C413 WeakPolarHBondContact O-CA 3.18Å; C395-K414 PolarHBondContact O-N 2.71Å; C395-K414 VanDerWaalsContact O-N 3.12Å
396S87.9Confident83Confident0 Ų051.2 Ų51.20%024%0.242CC..SBendtrans-13531.6-179.1530000112.6V391 C392 W393 N398 K411 V412V391-S396 VanDerWaalsContact CG2-CB 3.44Å; C392-S396 PolarHBondContact O-N 2.77Å; C392-S396 VanDerWaalsContact O-N 3.13Å; C392-S396 PolarHBondContact O-OG 3.27Å; W393-S396 CarbonylContact O-C 3.39Å; W393-S396 PolarHBondContact O-N 2.85Å; S396-N398 PolarHBondContact O-N 2.93Å; S396-K411 WeakPolarHBondContact O-CG 3.33Å; S396-K411 PolarHBondContact O-NZ 2.79Å; S396-V412 WeakPolarHBondContact CA-O 3.28Å
397D86.6Confident83.1Confident103 Ų10357.7 Ų57.755%0.55127%0.267SS*.  trans-74.1-9.3-177.5-148.919.4000112.8W393W393-D397 PolarHBondContact O-N 2.85Å; W393-D397 VanDerWaalsContact O-N 3.07Å
398N84.8Confident83.4Confident51 Ų5162.1 Ų62.127%0.27328%0.283SS..EExtended strand (participates in β ladder)trans-98.5153.5-176.8-56.4-30.2000112.3S396 V412 Y417S396-N398 PolarHBondContact O-N 2.93Å; N398-V412 PolarHBondContact O-N 2.92Å; N398-Y417 HydrophobicContact CB-CD1 4.08Å; N398-Y417 HydrophobicContact CB-CD2 3.43Å; N398-Y417 VanDerWaalsContact CB-CD2 3.43Å; N398-Y417 HydrophobicContact CB-CE1 4.48Å; N398-Y417 HydrophobicContact CB-CE2 3.88Å; N398-Y417 HydrophobicContact CB-CG 3.53Å
399K90.6Very high84Confident126 Ų12667.3 Ų67.355%0.54831%0.308SS..EExtended strand (participates in β ladder)trans-129.5143.5173.5-63.3-176.1-178179.40110.8M409 N410 Y417K399-M409 HydrophobicContact CB-SD 4.23Å; K399-N410 CarbonylContact C-O 3.45Å; K399-N410 WeakPolarHBondContact CA-O 3.3Å; K399-Y417 WeakPolarHBondContact O-CE2 3.22Å
400V89.8Confident84.3Confident13 Ų1364.7 Ų64.78%0.07930%0.299CS..EExtended strand (participates in β ladder)trans-139.7155.7177.670.20000110.4L402 N410 V412 Y417 L420 T421V400-L402 HydrophobicContact CG1-CD2 3.8Å; V400-L402 HydrophobicContact CG1-CG 4.44Å; V400-N410 PolarHBondContact N-O 2.82Å; V400-N410 PolarHBondContact O-N 3.47Å; V400-V412 HydrophobicContact CB-CG2 4.19Å; V400-V412 HydrophobicContact CG1-CB 4.23Å; V400-V412 HydrophobicContact CG1-CG1 3.65Å; V400-V412 HydrophobicContact CG1-CG2 3.58Å; V400-Y417 HydrophobicContact CB-CD2 4.24Å; V400-L420 HydrophobicContact CG1-CB 4.23Å; V400-L420 HydrophobicContact CG1-CD1 3.66Å; V400-L420 HydrophobicContact CG2-CB 3.98Å; V400-T421 HydrophobicContact CB-CG2 4.45Å; V400-T421 HydrophobicContact CG2-CG2 3.72Å
401H88.3Confident84.7Confident101 Ų10167 Ų6747%0.46831%0.309SS..EExtended strand (participates in β ladder)trans-70.1128.9172-67.3-78.6000110.3Y407 K408 M409H401-Y407 PolarHBondContact ND1-O 2.62Å; H401-K408 WeakPolarHBondContact CA-O 3.2Å; H401-M409 WeakPolarHBondContact NE2-CE 3.22Å
402L84.3Confident85Confident1 Ų167 Ų671%0.00531%0.309CS..EExtended strand (participates in β ladder)trans-111.9126176.3-59.3177.3000109.7R385 A386 V400 Y404 D405 Y407 K408 N410 V412 L420R385-L402 HydrophobicContact CB-CD1 3.41Å; R385-L402 VanDerWaalsContact CB-CD1 3.41Å; A386-L402 HydrophobicContact CB-CD2 4.12Å; V400-L402 HydrophobicContact CG1-CD2 3.8Å; V400-L402 HydrophobicContact CG1-CG 4.44Å; L402-Y404 VanDerWaalsContact C-N 3.35Å; L402-Y404 HydrophobicContact CB-CD1 4.07Å; L402-Y404 HydrophobicContact CB-CE1 3.9Å; L402-Y404 HydrophobicContact CD1-CE1 3.71Å; L402-Y404 HydrophobicContact CG-CE1 4.35Å; L402-Y404 PolarHBondContact O-N 2.96Å; L402-D405 CarbonylContact O-C 3.56Å; L402-D405 PolarHBondContact O-N 3.14Å; L402-Y407 WeakPolarHBondContact O-CA 3.29Å; L402-Y407 PolarHBondContact O-N 2.79Å; L402-K408 PolarHBondContact N-O 2.88Å; L402-N410 HydrophobicContact CD1-CB 3.43Å; L402-N410 VanDerWaalsContact CD1-CB 3.43Å; L402-N410 HydrophobicContact CG-CB 3.85Å; L402-V412 HydrophobicContact CD1-CG1 4.38Å; L402-V412 HydrophobicContact CD2-CG1 4.35Å; L402-L420 HydrophobicContact CD2-CD1 3.59Å
403E79.5Confident85.3Confident94 Ų9467 Ų6744%0.43931%0.309SS..G310 helixtrans-62.8-41.3-174.3177.3171.4170.900111.5G352 D405 N406 Y407G352-E403 PolarHBondContact O-N 2.71Å; E403-D405 PolarHBondContact O-N 3.35Å; E403-D405 VanDerWaalsContact O-N 3.14Å; E403-N406 PolarHBondContact O-N 3.06Å; E403-Y407 HydrophobicContact CB-CE1 3.94Å; E403-Y407 HydrophobicContact CG-CE1 4.15Å; E403-Y407 HydrophobicContact CG-CE2 4.28Å; E403-Y407 WeakPolarHBondContact CG-OH 3.38Å
404Y85.4Confident85.3Confident67 Ų6766.8 Ų66.826%0.26331%0.311SS..G310 helixtrans-64.1-21.4179.881.5-101000114G352 K353 R354 A355 R385 L402G352-Y404 PolarHBondContact O-N 3.36Å; K353-Y404 WeakPolarHBondContact O-CB 3.38Å; R354-Y404 VanDerWaalsContact C-CD1 3.44Å; R354-Y404 WeakPolarHBondContact O-CD1 3.21Å; A355-Y404 HydrophobicContact CB-CD2 3.59Å; A355-Y404 HydrophobicContact CB-CE2 3.57Å; A355-Y404 HydrophobicContact CB-CG 4.15Å; R385-Y404 WeakPolarHBondContact O-CE1 3.26Å; R385-Y404 PolarHBondContact O-OH 3.43Å; L402-Y404 VanDerWaalsContact C-N 3.35Å; L402-Y404 HydrophobicContact CB-CD1 4.07Å; L402-Y404 HydrophobicContact CB-CE1 3.9Å; L402-Y404 HydrophobicContact CD1-CE1 3.71Å; L402-Y404 HydrophobicContact CG-CE1 4.35Å; L402-Y404 PolarHBondContact O-N 2.96Å
405D80.9Confident85.1Confident46 Ų4665.3 Ų65.325%0.24631%0.309CS..G310 helixtrans-11041.6179.8-171.929.1000110.7L402 E403 Y407 K408 N410L402-D405 CarbonylContact O-C 3.56Å; L402-D405 PolarHBondContact O-N 3.14Å; E403-D405 PolarHBondContact O-N 3.35Å; E403-D405 VanDerWaalsContact O-N 3.14Å; D405-Y407 PolarHBondContact O-N 3.09Å; D405-K408 WeakPolarHBondContact O-CB 3.42Å; D405-K408 WeakPolarHBondContact O-CG 3.32Å; D405-K408 PolarHBondContact O-N 2.76Å; D405-N410 PolarHBondContact OD2-ND2 3.43Å
406N82.2Confident85.1Confident131 Ų13165 Ų6570%0.70131%0.306SS*.THydrogen-bonded Turntrans53.639.5177.9-59.9-61.9000113.3E403 K408E403-N406 PolarHBondContact O-N 3.06Å; N406-K408 PolarHBondContact O-N 2.91Å
407Y80.6Confident84.9Confident139 Ų13967.6 Ų67.655%0.54532%0.317SS..THydrogen-bonded Turntrans5437-176.8-57.6-88.4000112.9H401 L402 E403 D405H401-Y407 PolarHBondContact ND1-O 2.62Å; L402-Y407 WeakPolarHBondContact O-CA 3.29Å; L402-Y407 PolarHBondContact O-N 2.79Å; E403-Y407 HydrophobicContact CB-CE1 3.94Å; E403-Y407 HydrophobicContact CG-CE1 4.15Å; E403-Y407 HydrophobicContact CG-CE2 4.28Å; E403-Y407 WeakPolarHBondContact CG-OH 3.38Å; D405-Y407 PolarHBondContact O-N 3.09Å
408K83Confident84.7Confident122 Ų12264.2 Ų64.253%0.5330%0.301SS..EExtended strand (participates in β ladder)trans-76.7146.7169.7-73.4175.9-177.1170.40111.4H401 L402 D405 N406 N410H401-K408 WeakPolarHBondContact CA-O 3.2Å; L402-K408 PolarHBondContact N-O 2.88Å; D405-K408 WeakPolarHBondContact O-CB 3.42Å; D405-K408 WeakPolarHBondContact O-CG 3.32Å; D405-K408 PolarHBondContact O-N 2.76Å; N406-K408 PolarHBondContact O-N 2.91Å; K408-N410 PolarHBondContact O-N 3.16Å; K408-N410 PolarHBondContact O-ND2 3.42Å
409M86.9Confident84.4Confident108 Ų10866.1 Ų66.153%0.53231%0.31SS..EExtended strand (participates in β ladder)trans-68.7109.7174.8-88.8-64.3-161.700111K399 H401K399-M409 HydrophobicContact CB-SD 4.23Å; H401-M409 WeakPolarHBondContact NE2-CE 3.22Å
410N87.4Confident84Confident22 Ų2262.7 Ų62.712%0.11830%0.298CS..EExtended strand (participates in β ladder)trans-120.8142.2-170.9-88.5-67.2000112R385 K399 V400 L402 D405 K408 V412R385-N410 HydrophobicContact CB-CB 3.83Å; R385-N410 HydrophobicContact CG-CB 3.99Å; R385-N410 WeakPolarHBondContact CG-OD1 3.36Å; K399-N410 CarbonylContact C-O 3.45Å; K399-N410 WeakPolarHBondContact CA-O 3.3Å; V400-N410 PolarHBondContact N-O 2.82Å; V400-N410 PolarHBondContact O-N 3.47Å; L402-N410 HydrophobicContact CD1-CB 3.43Å; L402-N410 VanDerWaalsContact CD1-CB 3.43Å; L402-N410 HydrophobicContact CG-CB 3.85Å; D405-N410 PolarHBondContact OD2-ND2 3.43Å; K408-N410 PolarHBondContact O-N 3.16Å; K408-N410 PolarHBondContact O-ND2 3.42Å; N410-V412 PolarHBondContact O-N 2.85Å
411K89.8Confident83.6Confident48 Ų4864.7 Ų64.721%0.20931%0.31CS..EExtended strand (participates in β ladder)trans-68.1126.4179.5178.2178.4-79.1-80.80110.6H382 R385 S396H382-K411 HydrophobicContact CB-CD 4.19Å; R385-K411 WeakPolarHBondContact CB-O 3.38Å; R385-K411 WeakPolarHBondContact CD-O 3.47Å; R385-K411 PolarHBondContact N-O 2.76Å; S396-K411 WeakPolarHBondContact O-CG 3.33Å; S396-K411 PolarHBondContact O-NZ 2.79Å
412V89.1Confident82.8Confident0 Ų063.1 Ų63.10%032%0.321CS..EExtended strand (participates in β ladder)trans-133156.1-179.7-67.20000111.2A386 S396 N398 V400 L402 N410 C416 Y417A386-V412 HydrophobicContact CB-CB 4.47Å; A386-V412 HydrophobicContact CB-CG1 3.68Å; S396-V412 WeakPolarHBondContact CA-O 3.28Å; N398-V412 PolarHBondContact O-N 2.92Å; V400-V412 HydrophobicContact CB-CG2 4.19Å; V400-V412 HydrophobicContact CG1-CB 4.23Å; V400-V412 HydrophobicContact CG1-CG1 3.65Å; V400-V412 HydrophobicContact CG1-CG2 3.58Å; L402-V412 HydrophobicContact CD1-CG1 4.38Å; L402-V412 HydrophobicContact CD2-CG1 4.35Å; N410-V412 PolarHBondContact O-N 2.85Å; V412-C416 HydrophobicContact CB-CB 4.1Å; V412-Y417 HydrophobicContact CG2-CD2 4.12Å; V412-Y417 HydrophobicContact CG2-CG 4.48Å
413C86.8Confident81.2Confident0 Ų068.5 Ų68.50%035%0.346CS..  trans-69.9160.3172.8740000111.1K369 C384 V391 C395 D415 C416 Y417K369-C413 WeakPolarHBondContact CE-SG 3.03Å; K369-C413 HydrophobicContact CG-CB 4.19Å; C384-C413 HydrophobicContact CB-CB 4.19Å; C384-C413 PolarHBondContact SG-N 2.88Å; V391-C413 HydrophobicContact CG1-CB 4.34Å; V391-C413 HydrophobicContact CG2-CB 4.47Å; C395-C413 VanDerWaalsContact O-CA 3.25Å; C395-C413 WeakPolarHBondContact O-CA 3.18Å; C413-D415 VanDerWaalsContact C-N 3.27Å; C413-D415 PolarHBondContact O-N 2.56Å; C413-C416 PolarHBondContact O-N 2.84Å; C413-C416 VanDerWaalsContact O-N 3.16Å; C413-C416 PolarHBondContact SG-N 3.28Å; C413-C416 VanDerWaalsContact SG-N 3.41Å; C413-C416 PolarHBondContact SG-SG 2.82Å; C413-Y417 WeakPolarHBondContact O-CB 3.48Å; C413-Y417 PolarHBondContact O-N 3.49Å
414K82.2Confident79.7Confident107 Ų10767.3 Ų67.347%0.46536%0.359SS..Hα-helixtrans-51.8-44.8179.7-69.2-175.5175.31790112.9K394 C395 Y417 S418K394-K414 WeakPolarHBondContact O-CE 3.39Å; K394-K414 PolarHBondContact O-NZ 3Å; C395-K414 PolarHBondContact O-N 2.71Å; C395-K414 VanDerWaalsContact O-N 3.12Å; K414-Y417 WeakPolarHBondContact O-CB 3.42Å; K414-Y417 PolarHBondContact O-N 2.85Å; K414-S418 PolarHBondContact O-N 2.85Å; K414-S418 PolarHBondContact O-OG 3.02Å
415D78.9Confident77.4Confident80 Ų8070 Ų7043%0.42838%0.382SS..Hα-helixtrans-62.7-46.6-179.9-510.4000111.9K369 C413 Y417 S418 I419K369-D415 VanDerWaalsContact CD-OD2 3.31Å; K369-D415 WeakPolarHBondContact CD-OD2 3.41Å; K369-D415 VanDerWaalsContact CE-OD2 3.26Å; K369-D415 WeakPolarHBondContact CE-OD2 3.37Å; K369-D415 IonicContact NZ-OD2 3.69Å; K369-D415 PolarHBondContact NZ-OD2 3.02Å; C413-D415 VanDerWaalsContact C-N 3.27Å; C413-D415 PolarHBondContact O-N 2.56Å; D415-Y417 VanDerWaalsContact C-N 3.32Å; D415-Y417 PolarHBondContact O-N 3.21Å; D415-S418 PolarHBondContact O-N 2.86Å; D415-I419 WeakPolarHBondContact O-CD1 3.36Å; D415-I419 WeakPolarHBondContact O-CG1 3.33Å; D415-I419 PolarHBondContact O-N 3.44Å
416C82.1Confident75.1Confident5 Ų574 Ų743%0.03441%0.409CS..Hα-helixtrans-68-34.4177.8-67.90000112L351 A386 C387 V412 C413 I419 L420L351-C416 HydrophobicContact CD2-CB 4.31Å; A386-C416 HydrophobicContact CB-CB 3.73Å; C387-C416 VanDerWaalsContact CB-SG 3.6Å; C387-C416 VanDerWaalsContact SG-SG 3.66Å; V412-C416 HydrophobicContact CB-CB 4.1Å; C413-C416 PolarHBondContact O-N 2.84Å; C413-C416 VanDerWaalsContact O-N 3.16Å; C413-C416 PolarHBondContact SG-N 3.28Å; C413-C416 VanDerWaalsContact SG-N 3.41Å; C413-C416 PolarHBondContact SG-SG 2.82Å; C416-I419 PolarHBondContact O-N 3.01Å; C416-L420 HydrophobicContact CB-CD1 4.48Å; C416-L420 VanDerWaalsContact O-CB 3.24Å; C416-L420 WeakPolarHBondContact O-CB 3.46Å; C416-L420 WeakPolarHBondContact O-CD1 3.29Å; C416-L420 WeakPolarHBondContact O-CG 3.46Å; C416-L420 PolarHBondContact O-N 3.45Å
417Y84.4Confident73.2Confident55 Ų5575.1 Ų75.122%0.21641%0.409CS..Hα-helixtrans-59.6-54.9173.8-177-100.7000110.2N398 K399 V400 V412 C413 K414 D415 I419 L420 T421 E423N398-Y417 HydrophobicContact CB-CD1 4.08Å; N398-Y417 HydrophobicContact CB-CD2 3.43Å; N398-Y417 VanDerWaalsContact CB-CD2 3.43Å; N398-Y417 HydrophobicContact CB-CE1 4.48Å; N398-Y417 HydrophobicContact CB-CE2 3.88Å; N398-Y417 HydrophobicContact CB-CG 3.53Å; K399-Y417 WeakPolarHBondContact O-CE2 3.22Å; V400-Y417 HydrophobicContact CB-CD2 4.24Å; V412-Y417 HydrophobicContact CG2-CD2 4.12Å; V412-Y417 HydrophobicContact CG2-CG 4.48Å; C413-Y417 WeakPolarHBondContact O-CB 3.48Å; C413-Y417 PolarHBondContact O-N 3.49Å; K414-Y417 WeakPolarHBondContact O-CB 3.42Å; K414-Y417 PolarHBondContact O-N 2.85Å; D415-Y417 VanDerWaalsContact C-N 3.32Å; D415-Y417 PolarHBondContact O-N 3.21Å; Y417-I419 VanDerWaalsContact C-N 3.3Å; Y417-I419 PolarHBondContact O-N 3.02Å; Y417-L420 PolarHBondContact O-N 3.14Å; Y417-L420 VanDerWaalsContact O-N 3.13Å; Y417-T421 HydrophobicContact CD2-CG2 3.92Å; Y417-T421 HydrophobicContact CE1-CG2 4.31Å; Y417-T421 HydrophobicContact CE2-CG2 3.67Å; Y417-T421 HydrophobicContact CG-CG2 4.37Å; Y417-T421 PolarHBondContact O-N 3.36Å; Y417-T421 PolarHBondContact O-OG1 2.93Å; Y417-E423 WeakPolarHBondContact CE1-OE2 3.44Å
418S82.3Confident70.8Confident32 Ų3271.7 Ų71.722%0.22442%0.416CS..Hα-helixtrans-56.7-40.5177.6-66.30000113.2K414 D415 G422 E423K414-S418 PolarHBondContact O-N 2.85Å; K414-S418 PolarHBondContact O-OG 3.02Å; D415-S418 PolarHBondContact O-N 2.86Å; S418-G422 PolarHBondContact O-N 2.98Å; S418-G422 VanDerWaalsContact O-N 3.14Å; S418-E423 WeakPolarHBondContact CB-O 3.46Å; S418-E423 PolarHBondContact O-N 2.87Å
419I78.7Confident68.5Low91 Ų9176 Ų7647%0.46743%0.429SS..Hα-helixtrans-66.8-42.6177.9-66.7163.7000111.5L351 D415 C416 Y417L351-I419 HydrophobicContact CD2-CB 4.06Å; L351-I419 HydrophobicContact CD2-CD1 4.1Å; L351-I419 HydrophobicContact CD2-CG2 3.7Å; D415-I419 WeakPolarHBondContact O-CD1 3.36Å; D415-I419 WeakPolarHBondContact O-CG1 3.33Å; D415-I419 PolarHBondContact O-N 3.44Å; C416-I419 PolarHBondContact O-N 3.01Å; Y417-I419 VanDerWaalsContact C-N 3.3Å; Y417-I419 PolarHBondContact O-N 3.02Å
420L81Confident65.8Low55 Ų5580.8 Ų80.829%0.28844%0.441SS..Hα-helixtrans-83.8-25.7-173.5-68.5169.1000113.7L351 A386 V400 L402 C416 Y417L351-L420 HydrophobicContact CD2-CG 4.34Å; L351-L420 HydrophobicContact CG-CD2 4.48Å; L351-L420 WeakPolarHBondContact O-CD2 3.43Å; A386-L420 HydrophobicContact CB-CD1 3.74Å; V400-L420 HydrophobicContact CG1-CB 4.23Å; V400-L420 HydrophobicContact CG1-CD1 3.66Å; V400-L420 HydrophobicContact CG2-CB 3.98Å; L402-L420 HydrophobicContact CD2-CD1 3.59Å; C416-L420 HydrophobicContact CB-CD1 4.48Å; C416-L420 VanDerWaalsContact O-CB 3.24Å; C416-L420 WeakPolarHBondContact O-CB 3.46Å; C416-L420 WeakPolarHBondContact O-CD1 3.29Å; C416-L420 WeakPolarHBondContact O-CG 3.46Å; C416-L420 PolarHBondContact O-N 3.45Å; Y417-L420 PolarHBondContact O-N 3.14Å; Y417-L420 VanDerWaalsContact O-N 3.13Å
421T81.8Confident63.2Low55 Ų5585 Ų8534%0.33746%0.459SS..Hα-helixtrans-95.9-8.2176.862.40000113.3V400 Y417 E423V400-T421 HydrophobicContact CB-CG2 4.45Å; V400-T421 HydrophobicContact CG2-CG2 3.72Å; Y417-T421 HydrophobicContact CD2-CG2 3.92Å; Y417-T421 HydrophobicContact CE1-CG2 4.31Å; Y417-T421 HydrophobicContact CE2-CG2 3.67Å; Y417-T421 HydrophobicContact CG-CG2 4.37Å; Y417-T421 PolarHBondContact O-N 3.36Å; Y417-T421 PolarHBondContact O-OG1 2.93Å; T421-E423 PolarHBondContact O-N 2.91Å
422G70.6Confident60.3Low67 Ų6783.7 Ų83.769%0.69146%0.459SS*.  trans7112.5-177.200000114S418 G424S418-G422 PolarHBondContact O-N 2.98Å; S418-G422 VanDerWaalsContact O-N 3.14Å; G422-G424 PolarHBondContact O-N 2.78Å
423E51.3Low57.7Low114 Ų11488.3 Ų88.353%0.53348%0.483SS..PPolyproline II helixtrans-75.9119.1175.1-73.8-173.1160.500110.5Y417 S418 T421Y417-E423 WeakPolarHBondContact CE1-OE2 3.44Å; S418-E423 WeakPolarHBondContact CB-O 3.46Å; S418-E423 PolarHBondContact O-N 2.87Å; T421-E423 PolarHBondContact O-N 2.91Å
424G49.1Very low55.1Low69 Ų6995.6 Ų95.671%0.71152%0.521SS*.PPolyproline II helixtrans-49.2141.9-17400000115.2G422 T426G422-G424 PolarHBondContact O-N 2.78Å; G424-T426 PolarHBondContact O-N 3.06Å
425V36.7Very low53.3Low125 Ų12592.9 Ų92.976%0.75851%0.51SS*.PPolyproline II helixtrans-55.6118.3-177.1-178.20000111.5
426T32.8Very low52Low130 Ų13090.7 Ų90.780%0.79850%0.498SS*.  trans-83.4115.5152.338.90000107.4G424 G428G424-T426 PolarHBondContact O-N 3.06Å; T426-G428 PolarHBondContact O-N 2.97Å
427E40.7Very low50.6Low153 Ų15392.2 Ų92.272%0.71551%0.505SS*.  trans-53.5105.1-172.5-79.7-168.2122.200112.4R430E427-R430 IonicContact OE1-CZ 3.91Å; E427-R430 IonicContact OE1-NH2 3.53Å; E427-R430 PolarHBondContact OE1-NH2 3.01Å
428G31.4Very low48.9Very low67 Ų6789.7 Ų89.769%0.69150%0.495SS*.  trans-77.4122168.600000111.3T426 R430T426-G428 PolarHBondContact O-N 2.97Å; G428-R430 PolarHBondContact O-N 2.96Å
429R34.2Very low47.2Very low213 Ų21390.2 Ų90.280%0.80450%0.501SS*.  trans-0.5106.1161.2-107.3174.8171173.7-3.4115.4
430R31.1Very low46Very low208 Ų20890.7 Ų90.779%0.78550%0.501SS*.PPolyproline II helixtrans-70135.2172.4-66.8-177.7-167.9-176.45.7110.9E427 G428E427-R430 IonicContact OE1-CZ 3.91Å; E427-R430 IonicContact OE1-NH2 3.53Å; E427-R430 PolarHBondContact OE1-NH2 3.01Å; G428-R430 PolarHBondContact O-N 2.96Å
431K32.8Very low44.6Very low110 Ų11089.1 Ų89.148%0.47849%0.492SS..PPolyproline II helixtrans-54.2139.9-170.1-62.4-174.4-176.3-171.30113.4K301 E435 E437K301-K431 PolarHBondContact NZ-O 3.13Å; K431-E435 WeakPolarHBondContact CA-OE2 3.28Å; K431-E437 VanDerWaalsContact CE-OE1 3.22Å; K431-E437 WeakPolarHBondContact CE-OE1 3.48Å; K431-E437 IonicContact NZ-OE1 3.64Å; K431-E437 PolarHBondContact NZ-OE1 2.71Å; K431-E437 IonicContact NZ-OE2 2.87Å; K431-E437 PolarHBondContact NZ-OE2 3.29Å
432G29Very low43Very low21 Ų2189 Ų8922%0.21649%0.491CS..PPolyproline II helixtrans-85.9148.5173.800000113.1L434 E435G432-L434 PolarHBondContact O-N 2.91Å; G432-E435 PolarHBondContact N-OE2 2.87Å; G432-E435 WeakPolarHBondContact O-CB 3.31Å; G432-E435 PolarHBondContact O-N 3.37Å
433I34Very low41.9Very low97 Ų9791.8 Ų91.850%0.49749%0.49SS..THydrogen-bonded Turntrans-60.4-9.2179.1-133.6174000116D280 F329D280-I433 HydrophobicContact CB-CB 3.72Å; D280-I433 HydrophobicContact CB-CD1 3.77Å; D280-I433 HydrophobicContact CB-CG1 4.15Å; D280-I433 HydrophobicContact CB-CG2 4.17Å; D280-I433 WeakPolarHBondContact OD2-CB 3.41Å; D280-I433 PolarHBondContact OD2-N 3.34Å; F329-I433 HydrophobicContact CE1-CD1 4.34Å; F329-I433 HydrophobicContact CE2-CD1 3.34Å; F329-I433 HydrophobicContact CZ-CD1 3.18Å; F329-I433 HydrophobicContact CZ-CG1 4.28Å
434L32.8Very low42.2Very low153 Ų15388.5 Ų88.580%0.80148%0.48SS*.THydrogen-bonded Turntrans-106.57.4175.7-66169.5000112.4G432 I436G432-L434 PolarHBondContact O-N 2.91Å; L434-I436 PolarHBondContact O-N 2.76Å
435E43.6Very low43.1Very low50 Ų5085.4 Ų85.423%0.23445%0.448CS..  trans-98.369.4-177.7-60.4-173.9150.600110.1R371 K431 G432R371-E435 IonicContact CZ-OE1 3.77Å; R371-E435 IonicContact CZ-OE2 3.86Å; R371-E435 IonicContact NH1-OE1 2.98Å; R371-E435 PolarHBondContact NH1-OE1 2.79Å; R371-E435 IonicContact NH1-OE2 3.53Å; R371-E435 PolarHBondContact NH1-OE2 3.26Å; R371-E435 IonicContact NH2-OE2 2.68Å; K431-E435 WeakPolarHBondContact CA-OE2 3.28Å; G432-E435 PolarHBondContact N-OE2 2.87Å; G432-E435 WeakPolarHBondContact O-CB 3.31Å; G432-E435 PolarHBondContact O-N 3.37Å
436I51.1Low44.9Very low35 Ų3579.8 Ų79.818%0.17941%0.413CS..  trans-85.4113173.2-55.9-176.7000108.4L434 F441 Y477 Y479L434-I436 PolarHBondContact O-N 2.76Å; I436-F441 HydrophobicContact CB-CE2 4.31Å; I436-F441 HydrophobicContact CB-CZ 4.46Å; I436-F441 HydrophobicContact CG2-CD2 4.1Å; I436-F441 HydrophobicContact CG2-CE1 4.18Å; I436-F441 HydrophobicContact CG2-CE2 3.01Å; I436-F441 HydrophobicContact CG2-CZ 3.07Å; I436-Y477 HydrophobicContact CD1-CE1 3.99Å; I436-Y479 WeakPolarHBondContact O-CE1 3.29Å; I436-Y479 PolarHBondContact O-OH 2.9Å
437E52.5Low47.2Very low37 Ų3774.1 Ų74.117%0.17338%0.378CS..  trans-74.1128.7-177.2-66.1174.116500110K431 A439 Q440 V485K431-E437 VanDerWaalsContact CE-OE1 3.22Å; K431-E437 WeakPolarHBondContact CE-OE1 3.48Å; K431-E437 IonicContact NZ-OE1 3.64Å; K431-E437 PolarHBondContact NZ-OE1 2.71Å; K431-E437 IonicContact NZ-OE2 2.87Å; K431-E437 PolarHBondContact NZ-OE2 3.29Å; E437-A439 PolarHBondContact O-N 3.28Å; E437-A439 VanDerWaalsContact O-N 3.09Å; E437-Q440 HydrophobicContact CB-CG 4.18Å; E437-Q440 WeakPolarHBondContact O-CB 3.41Å; E437-Q440 PolarHBondContact O-N 3.32Å; E437-V485 HydrophobicContact CG-CB 3.97Å; E437-V485 HydrophobicContact CG-CG1 3.95Å
438A50.2Low49.3Very low1 Ų169 Ų691%0.00836%0.359CS..G310 helixtrans-57.2-29.8-179.500000112.9Q440 F441 Y479 P482 D484A438-Q440 VanDerWaalsContact C-N 3.35Å; A438-Q440 PolarHBondContact O-N 2.9Å; A438-F441 PolarHBondContact O-N 3.13Å; A438-Y479 HydrophobicContact CB-CD1 3.83Å; A438-Y479 HydrophobicContact CB-CD2 3.85Å; A438-Y479 HydrophobicContact CB-CE1 3.81Å; A438-Y479 HydrophobicContact CB-CE2 3.83Å; A438-Y479 HydrophobicContact CB-CG 3.85Å; A438-P482 WeakPolarHBondContact CB-O 3.06Å; A438-D484 WeakPolarHBondContact CB-O 3.3Å; A438-D484 PolarHBondContact N-O 2.83Å; A438-D484 VanDerWaalsContact N-O 3.14Å
439A46.2Very low51.6Low43 Ų4366.4 Ų66.436%0.35533%0.331SS..G310 helixtrans-64.5-31.1174.900000113.9E437 F441 T442E437-A439 PolarHBondContact O-N 3.28Å; E437-A439 VanDerWaalsContact O-N 3.09Å; A439-F441 PolarHBondContact O-N 2.83Å; A439-T442 PolarHBondContact O-N 2.87Å; A439-T442 VanDerWaalsContact O-N 3.16Å; A439-T442 PolarHBondContact O-OG1 2.78Å
440Q52.3Low54Low102 Ų10257.8 Ų57.848%0.47730%0.3SS..G310 helixtrans-63.8-14.7179.1-79.5-176.1-24.900113.1E437 A438 S444E437-Q440 HydrophobicContact CB-CG 4.18Å; E437-Q440 WeakPolarHBondContact O-CB 3.41Å; E437-Q440 PolarHBondContact O-N 3.32Å; A438-Q440 VanDerWaalsContact C-N 3.35Å; A438-Q440 PolarHBondContact O-N 2.9Å; Q440-S444 PolarHBondContact O-OG 3.1Å
441F52.1Low56.8Low21 Ų2148 Ų489%0.09226%0.263CS..G310 helixtrans-108-1.8-179.6-58.8-52.9000114.2I436 A438 A439 D443 S444 S445 V467 P469I436-F441 HydrophobicContact CB-CE2 4.31Å; I436-F441 HydrophobicContact CB-CZ 4.46Å; I436-F441 HydrophobicContact CG2-CD2 4.1Å; I436-F441 HydrophobicContact CG2-CE1 4.18Å; I436-F441 HydrophobicContact CG2-CE2 3.01Å; I436-F441 HydrophobicContact CG2-CZ 3.07Å; A438-F441 PolarHBondContact O-N 3.13Å; A439-F441 PolarHBondContact O-N 2.83Å; F441-D443 PolarHBondContact O-N 2.95Å; F441-S444 CarbonylContact O-C 3.58Å; F441-S444 PolarHBondContact O-N 2.7Å; F441-S445 WeakPolarHBondContact O-CB 3.25Å; F441-S445 PolarHBondContact O-N 2.89Å; F441-S445 PolarHBondContact O-OG 2.84Å; F441-V467 HydrophobicContact CB-CG1 3.64Å; F441-V467 HydrophobicContact CD2-CG1 3.88Å; F441-V467 HydrophobicContact CG-CG1 4.06Å; F441-P469 HydrophobicContact CD1-CB 3.57Å; F441-P469 HydrophobicContact CD1-CG 3.78Å; F441-P469 HydrophobicContact CD2-CG 3.87Å; F441-P469 HydrophobicContact CE1-CB 3.39Å; F441-P469 HydrophobicContact CE1-CG 3.5Å; F441-P469 HydrophobicContact CE2-CB 4.32Å; F441-P469 HydrophobicContact CE2-CG 3.49Å; F441-P469 VanDerWaalsContact CE2-CG 3.49Å; F441-P469 HydrophobicContact CG-CB 4.14Å; F441-P469 HydrophobicContact CG-CG 3.94Å; F441-P469 HydrophobicContact CZ-CB 3.74Å; F441-P469 HydrophobicContact CZ-CG 3.28Å
442T48.8Very low59.4Low53 Ų5346.4 Ų46.433%0.32526%0.257SS..SBendtrans-64.7-32.8-177.751.10000111.8A439A439-T442 PolarHBondContact O-N 2.87Å; A439-T442 VanDerWaalsContact O-N 3.16Å; A439-T442 PolarHBondContact O-OG1 2.78Å
443D47.6Very low62.3Low125 Ų12545.5 Ų45.567%0.66825%0.247SC*.SBendtrans-94.8-11.8175.7-60.3-37000113.9F441 R544F441-D443 PolarHBondContact O-N 2.95Å; D443-R544 PolarHBondContact O-NH1 3.43Å; D443-R544 PolarHBondContact O-NH2 3.34Å; D443-R544 VanDerWaalsContact O-NH2 3.14Å
444S57.7Low64.6Low46 Ų4641 Ų4132%0.32222%0.224SC..SBendtrans-137.144.3-17762.70000114.6Q440 F441 E470Q440-S444 PolarHBondContact O-OG 3.1Å; F441-S444 CarbonylContact O-C 3.58Å; F441-S444 PolarHBondContact O-N 2.7Å; S444-E470 WeakPolarHBondContact O-CB 3.38Å; S444-E470 PolarHBondContact O-N 3.13Å
445S67.3Low66.4Low4 Ų438.7 Ų38.73%0.02821%0.21CC..EExtended strand (participates in β ladder)trans-111.5141.7170.8490000111.2F441 M447 I468 R544F441-S445 WeakPolarHBondContact O-CB 3.25Å; F441-S445 PolarHBondContact O-N 2.89Å; F441-S445 PolarHBondContact O-OG 2.84Å; S445-M447 VanDerWaalsContact C-N 3.32Å; S445-I468 WeakPolarHBondContact CB-O 3.43Å; S445-R544 PolarHBondContact O-NE 3.07Å; S445-R544 PolarHBondContact O-NH2 3Å
446I75Confident67Low6 Ų645.5 Ų45.53%0.03124%0.238CC..EExtended strand (participates in β ladder)trans-69.1-39.8169.9-68158.1000109.3I468 E470 C473 V532 P542 P545I446-I468 PolarHBondContact N-O 3.49Å; I446-E470 HydrophobicContact CD1-CB 4.49Å; I446-E470 HydrophobicContact CG1-CB 4.13Å; I446-E470 HydrophobicContact CG1-CG 4.19Å; I446-C473 HydrophobicContact CD1-CB 3.19Å; I446-V532 HydrophobicContact CB-CG1 4.45Å; I446-V532 HydrophobicContact CG2-CB 4.45Å; I446-V532 HydrophobicContact CG2-CG1 3.56Å; I446-V532 HydrophobicContact CG2-CG2 4Å; I446-P542 HydrophobicContact CD1-CB 4.46Å; I446-P542 HydrophobicContact CD1-CG 4.08Å; I446-P542 WeakPolarHBondContact CD1-O 3.36Å; I446-P542 WeakPolarHBondContact CG1-O 3.47Å; I446-P542 HydrophobicContact CG2-CB 3.96Å; I446-P542 HydrophobicContact CG2-CG 4.42Å; I446-P542 WeakPolarHBondContact CG2-O 3.16Å; I446-P545 WeakPolarHBondContact O-CD 3.39Å
447M80.8Confident67.2Low12 Ų1246.6 Ų46.66%0.05926%0.259CS..EExtended strand (participates in β ladder)trans-152.4137.5175.5-165.5156-171.400112.3S445 I468 L525 R528 W529 V532S445-M447 VanDerWaalsContact C-N 3.32Å; M447-I468 PolarHBondContact N-O 3.21Å; M447-I468 PolarHBondContact O-N 2.71Å; M447-L525 HydrophobicContact CE-CD1 4.45Å; M447-R528 HydrophobicContact CE-CB 3.59Å; M447-R528 HydrophobicContact SD-CB 4.49Å; M447-R528 VanDerWaalsContact SD-O 3.38Å; M447-W529 HydrophobicContact CB-CE3 4.42Å; M447-W529 HydrophobicContact CB-CH2 4.4Å; M447-W529 HydrophobicContact CB-CZ3 4.1Å; M447-W529 HydrophobicContact CE-CB 4.08Å; M447-W529 VanDerWaalsContact CE-CD1 3.44Å; M447-W529 HydrophobicContact CE-CD2 3.54Å; M447-W529 HydrophobicContact CE-CE3 4.23Å; M447-W529 HydrophobicContact CE-CG 3.42Å; M447-W529 VanDerWaalsContact CE-CG 3.42Å; M447-W529 HydrophobicContact CE-CZ2 4.49Å; M447-W529 HydrophobicContact CG-CD2 3.98Å; M447-W529 HydrophobicContact CG-CE3 3.83Å; M447-W529 HydrophobicContact CG-CH2 3.92Å; M447-W529 HydrophobicContact CG-CZ2 4.08Å; M447-W529 HydrophobicContact CG-CZ3 3.8Å; M447-W529 WeakPolarHBondContact SD-CA 3.27Å; M447-W529 HydrophobicContact SD-CB 4.3Å; M447-W529 HydrophobicContact SD-CD2 3.65Å; M447-W529 HydrophobicContact SD-CE3 3.71Å; M447-W529 HydrophobicContact SD-CG 3.92Å; M447-W529 HydrophobicContact SD-CZ3 4.29Å; M447-V532 HydrophobicContact CB-CB 4.31Å; M447-V532 HydrophobicContact CB-CG1 4.03Å; M447-V532 HydrophobicContact CB-CG2 4.13Å; M447-V532 HydrophobicContact SD-CB 4.03Å; M447-V532 HydrophobicContact SD-CG2 3.76Å
448C85Confident67.3Low46 Ų4646.2 Ų46.231%0.31126%0.264SS..EExtended strand (participates in β ladder)trans-145.8152170.664.90000110.9W465 C466 V467C448-W465 HydrophobicContact CB-CZ2 3.71Å; C448-C466 CarbonylContact C-O 3.48Å; C448-C466 WeakPolarHBondContact CA-O 3.38Å; C448-V467 HydrophobicContact CB-CB 4.48Å; C448-V467 HydrophobicContact CB-CG1 4.34Å; C448-V467 HydrophobicContact CB-CG2 4.06Å
449G78.7Confident67.6Low11 Ų1155.5 Ų55.511%0.11331%0.305CS..EExtended strand (participates in β ladder)trans164.6166.1-175.300000113.4C466G449-C466 PolarHBondContact N-O 3.3Å; G449-C466 PolarHBondContact O-N 2.87Å
450F85.1Confident68.6Low33 Ų3360.5 Ų60.515%0.14533%0.325CS..EExtended strand (participates in β ladder)trans-78.5139175.2-73.9-76.2000111.7N362 R463 V464 W465 P482N362-F450 WeakPolarHBondContact O-CZ 3.44Å; F450-R463 HydrophobicContact CB-CG 4.48Å; F450-R463 HydrophobicContact CD1-CG 4.05Å; F450-V464 WeakPolarHBondContact CA-O 3.47Å; F450-W465 HydrophobicContact CB-CE3 4.49Å; F450-W465 HydrophobicContact CD1-CB 4.32Å; F450-W465 AromaticContact CD1-CE3 3.96Å; F450-W465 HydrophobicContact CD1-CE3 3.96Å; F450-W465 AromaticContact CD2-CE3 3.55Å; F450-W465 HydrophobicContact CD2-CE3 3.55Å; F450-W465 AromaticContact CD2-CZ3 3.6Å; F450-W465 HydrophobicContact CD2-CZ3 3.6Å; F450-W465 HydrophobicContact CE1-CB 4.18Å; F450-W465 HydrophobicContact CE1-CE3 4.04Å; F450-W465 AromaticContact CE2-CE3 3.62Å; F450-W465 HydrophobicContact CE2-CE3 3.62Å; F450-W465 AromaticContact CE2-CZ3 3.7Å; F450-W465 HydrophobicContact CE2-CZ3 3.7Å; F450-W465 AromaticContact CG-CE3 3.73Å; F450-W465 HydrophobicContact CG-CE3 3.73Å; F450-W465 HydrophobicContact CG-CZ3 4.19Å; F450-W465 AromaticContact CZ-CE3 3.88Å; F450-W465 HydrophobicContact CZ-CE3 3.88Å; F450-W465 HydrophobicContact CZ-CZ3 4.38Å; F450-P482 HydrophobicContact CE1-CG 4.25Å; F450-P482 HydrophobicContact CE2-CG 3.88Å; F450-P482 HydrophobicContact CZ-CG 3.48Å; F450-P482 VanDerWaalsContact CZ-CG 3.48Å
451L89.6Confident69.8Low3 Ų360.2 Ų60.22%0.01632%0.319CS..EExtended strand (participates in β ladder)trans-134.9151.7167.3-67.6176.1000109.5V464 C466 F507 F518 A520 W529L451-V464 PolarHBondContact N-O 2.58Å; L451-V464 WeakPolarHBondContact O-CG2 3.3Å; L451-V464 PolarHBondContact O-N 3.23Å; L451-V464 VanDerWaalsContact O-O 3.09Å; L451-C466 HydrophobicContact CD1-CB 4.24Å; L451-F507 HydrophobicContact CD1-CE1 4.21Å; L451-F507 HydrophobicContact CD1-CZ 3.86Å; L451-F507 HydrophobicContact CD2-CE1 4.5Å; L451-F518 HydrophobicContact CB-CD1 4.14Å; L451-F518 HydrophobicContact CD1-CB 4.3Å; L451-F518 HydrophobicContact CD1-CD1 3.96Å; L451-F518 HydrophobicContact CD1-CG 4.37Å; L451-A520 HydrophobicContact CD2-CB 3.71Å; L451-W529 HydrophobicContact CD1-CD2 3.98Å; L451-W529 HydrophobicContact CD1-CE3 4.48Å; L451-W529 HydrophobicContact CD1-CG 4.17Å; L451-W529 HydrophobicContact CD1-CZ2 4.36Å; L451-W529 HydrophobicContact CD2-CG 4.4Å
452Q87.9Confident71.1Confident75 Ų7563.9 Ų63.935%0.3534%0.337SS..EExtended strand (participates in β ladder)trans-79.4136.2163.2-68.3-82.6-19.700108.2W461 Q462 F518 A519Q452-W461 HydrophobicContact CB-CE3 3.83Å; Q452-W461 HydrophobicContact CB-CZ3 4.21Å; Q452-Q462 CarbonylContact C-O 3.48Å; Q452-Q462 WeakPolarHBondContact CA-O 3.43Å; Q452-F518 CarbonylContact O-C 3.56Å; Q452-F518 WeakPolarHBondContact O-CA 3.45Å; Q452-A519 HydrophobicContact CB-CB 4.11Å; Q452-A519 PolarHBondContact N-O 2.93Å; Q452-A519 PolarHBondContact O-N 3.45Å
453H89.9Confident72.8Confident2 Ų266.3 Ų66.31%0.00934%0.34CS..EExtended strand (participates in β ladder)trans-129.7141.9-177.3171.3-111.1000111.7E455 Q462 V464 L478 H516 T517 F518H453-E455 IonicContact CE1-OE1 3.2Å; H453-Q462 HydrophobicContact CB-CG 4.48Å; H453-Q462 PolarHBondContact N-O 3.28Å; H453-Q462 PolarHBondContact ND1-NE2 3.29Å; H453-Q462 WeakPolarHBondContact O-CG 3.25Å; H453-Q462 PolarHBondContact O-N 3.17Å; H453-V464 HydrophobicContact CB-CG1 4.29Å; H453-V464 HydrophobicContact CB-CG2 3.48Å; H453-V464 VanDerWaalsContact CB-CG2 3.48Å; H453-L478 HydrophobicContact CB-CD2 4.37Å; H453-H516 AromaticContact NE2-ND1 3.43Å; H453-H516 PolarHBondContact NE2-ND1 3.14Å; H453-T517 WeakPolarHBondContact CA-O 3.39Å; H453-F518 HydrophobicContact CB-CD1 4.21Å; H453-F518 HydrophobicContact CB-CE1 4.12Å; H453-F518 AromaticContact CD2-CE1 3.47Å; H453-F518 VanDerWaalsContact CD2-CE1 3.47Å; H453-F518 WeakPolarHBondContact CD2-CE1 3.2Å; H453-F518 AromaticContact CD2-CZ 3.55Å
454S82.8Confident74.4Confident2 Ų260.4 Ų60.41%0.01431%0.308CS..EExtended strand (participates in β ladder)trans-142.8143173.6-165.60000111.7G458 L460 T517S454-G458 WeakPolarHBondContact OG-CA 3.45Å; S454-L460 VanDerWaalsContact CB-O 3.3Å; S454-L460 WeakPolarHBondContact CB-O 3.31Å; S454-L460 PolarHBondContact OG-O 3.21Å; S454-T517 PolarHBondContact N-O 3.23Å; S454-T517 PolarHBondContact O-N 3.42Å
455E71.2Confident75.6Confident105 Ų10559.9 Ų59.949%0.49130%0.299SS..EExtended strand (participates in β ladder)trans-108.5145.8174.3-66.7-174.1169.600111.5H453 H516H453-E455 IonicContact CE1-OE1 3.2Å; E455-H516 IonicContact OE1-CE1 2.77Å; E455-H516 IonicContact OE1-ND1 3.85Å
456K56.2Low76.5Confident193 Ų19359.7 Ų59.784%0.83930%0.298SS*.SBendtrans56.659.9176.4-63.1-176.6178.5178.10114.9
457G54.2Low77Confident59 Ų5959.4 Ų59.461%0.60830%0.297SS*.SBendtrans81.826.5162.700000116.4
458G55.8Low76.9Confident28 Ų2858.9 Ų58.929%0.28929%0.294SS..SBendtrans8815.9156.500000117.9S454 W461S454-G458 WeakPolarHBondContact OG-CA 3.45Å; G458-W461 PolarHBondContact O-NE1 3.08Å
459K56.3Low76.4Confident197 Ų19756.7 Ų56.786%0.85728%0.279SS*.SBendtrans-81-23-175.4-73.5-176.5177.9179.60115.4
460L66.6Low76Confident148 Ų14861 Ų6178%0.77530%0.296SS*.SBendtrans-142.2123.1178.9-151.480.7000109.6S454S454-L460 VanDerWaalsContact CB-O 3.3Å; S454-L460 WeakPolarHBondContact CB-O 3.31Å; S454-L460 PolarHBondContact OG-O 3.21Å
461W76.9Confident74.9Confident95 Ų9566.6 Ų66.636%0.3632%0.321SS..  trans-107.1136-178.2-69.589.9000110.7Q452 G458 T517 A519Q452-W461 HydrophobicContact CB-CE3 3.83Å; Q452-W461 HydrophobicContact CB-CZ3 4.21Å; G458-W461 PolarHBondContact O-NE1 3.08Å; W461-T517 HydrophobicContact CH2-CG2 3.66Å; W461-T517 HydrophobicContact CZ2-CG2 4.38Å; W461-T517 HydrophobicContact CZ3-CG2 4.44Å; W461-A519 HydrophobicContact CH2-CB 4.3Å; W461-A519 HydrophobicContact CZ3-CB 4.04Å
462Q80.4Confident73.5Confident99 Ų9970.5 Ų70.546%0.46334%0.339SS..EExtended strand (participates in β ladder)trans-131138.8176.155.9178.8-7.900110.6Q452 H453 V464Q452-Q462 CarbonylContact C-O 3.48Å; Q452-Q462 WeakPolarHBondContact CA-O 3.43Å; H453-Q462 HydrophobicContact CB-CG 4.48Å; H453-Q462 PolarHBondContact N-O 3.28Å; H453-Q462 PolarHBondContact ND1-NE2 3.29Å; H453-Q462 WeakPolarHBondContact O-CG 3.25Å; H453-Q462 PolarHBondContact O-N 3.17Å; Q462-V464 HydrophobicContact CG-CG1 4.05Å
463R83.6Confident72.6Confident104 Ų10467.4 Ų67.439%0.39233%0.326SS..EExtended strand (participates in β ladder)trans-79.2121.9174.2-165.3175.7-174.2-123.78.6109.1F450 E521F450-R463 HydrophobicContact CB-CG 4.48Å; F450-R463 HydrophobicContact CD1-CG 4.05Å; R463-E521 IonicContact CZ-OE1 3.28Å; R463-E521 IonicContact NE-OE1 2.74Å; R463-E521 IonicContact NH2-OE1 3.51Å; R463-E521 PolarHBondContact NH2-OE1 3.32Å
464V82.3Confident71.6Confident1 Ų169.8 Ų69.81%0.00634%0.338CS..EExtended strand (participates in β ladder)trans-125.9151.3-178-66.40000110.2F450 L451 H453 Q462 L478 Y479 L488F450-V464 WeakPolarHBondContact CA-O 3.47Å; L451-V464 PolarHBondContact N-O 2.58Å; L451-V464 WeakPolarHBondContact O-CG2 3.3Å; L451-V464 PolarHBondContact O-N 3.23Å; L451-V464 VanDerWaalsContact O-O 3.09Å; H453-V464 HydrophobicContact CB-CG1 4.29Å; H453-V464 HydrophobicContact CB-CG2 3.48Å; H453-V464 VanDerWaalsContact CB-CG2 3.48Å; Q462-V464 HydrophobicContact CG-CG1 4.05Å; V464-L478 HydrophobicContact CG2-CD2 4.28Å; V464-L478 HydrophobicContact CG2-CG 4.27Å; V464-Y479 CarbonylContact C-O 3.41Å; V464-Y479 VanDerWaalsContact CA-O 3.31Å; V464-Y479 WeakPolarHBondContact CA-O 3.35Å; V464-Y479 VanDerWaalsContact CB-O 3.28Å; V464-Y479 WeakPolarHBondContact CB-O 3.18Å; V464-L488 HydrophobicContact CG1-CD1 4.4Å
465W83.3Confident71.1Confident34 Ų3471.1 Ų71.113%0.12935%0.346CS..EExtended strand (participates in β ladder)trans-93.1117170.8179.9-99.6000110.3C448 F450 V467 Y479 A481 P482C448-W465 HydrophobicContact CB-CZ2 3.71Å; F450-W465 HydrophobicContact CB-CE3 4.49Å; F450-W465 HydrophobicContact CD1-CB 4.32Å; F450-W465 AromaticContact CD1-CE3 3.96Å; F450-W465 HydrophobicContact CD1-CE3 3.96Å; F450-W465 AromaticContact CD2-CE3 3.55Å; F450-W465 HydrophobicContact CD2-CE3 3.55Å; F450-W465 AromaticContact CD2-CZ3 3.6Å; F450-W465 HydrophobicContact CD2-CZ3 3.6Å; F450-W465 HydrophobicContact CE1-CB 4.18Å; F450-W465 HydrophobicContact CE1-CE3 4.04Å; F450-W465 AromaticContact CE2-CE3 3.62Å; F450-W465 HydrophobicContact CE2-CE3 3.62Å; F450-W465 AromaticContact CE2-CZ3 3.7Å; F450-W465 HydrophobicContact CE2-CZ3 3.7Å; F450-W465 AromaticContact CG-CE3 3.73Å; F450-W465 HydrophobicContact CG-CE3 3.73Å; F450-W465 HydrophobicContact CG-CZ3 4.19Å; F450-W465 AromaticContact CZ-CE3 3.88Å; F450-W465 HydrophobicContact CZ-CE3 3.88Å; F450-W465 HydrophobicContact CZ-CZ3 4.38Å; W465-V467 VanDerWaalsContact CD1-CG2 3.41Å; W465-Y479 PolarHBondContact N-O 3.33Å; W465-Y479 PolarHBondContact O-N 2.81Å; W465-A481 VanDerWaalsContact CB-C 3.42Å; W465-P482 HydrophobicContact CB-CG 4.4Å; W465-P482 VanDerWaalsContact CD1-CA 3.42Å; W465-P482 HydrophobicContact CD2-CB 3.75Å; W465-P482 HydrophobicContact CD2-CG 3.54Å; W465-P482 HydrophobicContact CE3-CB 4.17Å; W465-P482 HydrophobicContact CE3-CG 3.5Å; W465-P482 VanDerWaalsContact CG-CA 3.43Å; W465-P482 HydrophobicContact CG-CB 4.06Å; W465-P482 HydrophobicContact CG-CG 3.97Å; W465-P482 HydrophobicContact CH2-CB 4.41Å; W465-P482 HydrophobicContact CH2-CG 4.28Å; W465-P482 HydrophobicContact CZ2-CB 4.05Å; W465-P482 HydrophobicContact CZ2-CG 4.34Å; W465-P482 HydrophobicContact CZ3-CB 4.46Å; W465-P482 HydrophobicContact CZ3-CG 3.87Å
466C85.6Confident71.6Confident0 Ų066.1 Ų66.10%032%0.323CS..EExtended strand (participates in β ladder)trans-99141-177.4-700000110.3C448 G449 L451 L476 Y477 W529C448-C466 CarbonylContact C-O 3.48Å; C448-C466 WeakPolarHBondContact CA-O 3.38Å; G449-C466 PolarHBondContact N-O 3.3Å; G449-C466 PolarHBondContact O-N 2.87Å; L451-C466 HydrophobicContact CD1-CB 4.24Å; C466-L476 HydrophobicContact CB-CD1 3.96Å; C466-Y477 CarbonylContact C-O 3.55Å; C466-Y477 VanDerWaalsContact CA-O 3.29Å; C466-Y477 WeakPolarHBondContact CA-O 3.47Å; C466-W529 HydrophobicContact CB-CH2 3.45Å; C466-W529 VanDerWaalsContact CB-CH2 3.45Å; C466-W529 HydrophobicContact CB-CZ2 3.77Å; C466-W529 HydrophobicContact CB-CZ3 4.16Å; C466-W529 WeakPolarHBondContact O-CH2 3.42Å
467V84.9Confident72.8Confident1 Ų157.7 Ų57.71%0.00629%0.286CS..EExtended strand (participates in β ladder)trans-139.4134.1177.2-174.20000110.9F441 C448 W465 P469 Y477 Y479F441-V467 HydrophobicContact CB-CG1 3.64Å; F441-V467 HydrophobicContact CD2-CG1 3.88Å; F441-V467 HydrophobicContact CG-CG1 4.06Å; C448-V467 HydrophobicContact CB-CB 4.48Å; C448-V467 HydrophobicContact CB-CG1 4.34Å; C448-V467 HydrophobicContact CB-CG2 4.06Å; W465-V467 VanDerWaalsContact CD1-CG2 3.41Å; V467-P469 HydrophobicContact CG1-CG 4.43Å; V467-Y477 PolarHBondContact N-O 2.83Å; V467-Y477 PolarHBondContact O-N 3.24Å; V467-Y479 HydrophobicContact CB-CE2 4.37Å; V467-Y479 HydrophobicContact CG2-CD2 4.18Å; V467-Y479 HydrophobicContact CG2-CE2 4.12Å
468I79.7Confident74.1Confident0 Ų055 Ų550%026%0.257CS..EExtended strand (participates in β ladder)trans-116.7104.9166.2-61.1172.6000107.7S445 I446 M447 C473 L476 L493 W529 V532 I533S445-I468 WeakPolarHBondContact CB-O 3.43Å; I446-I468 PolarHBondContact N-O 3.49Å; M447-I468 PolarHBondContact N-O 3.21Å; M447-I468 PolarHBondContact O-N 2.71Å; I468-C473 HydrophobicContact CG2-CB 4.49Å; I468-C473 WeakPolarHBondContact CG2-O 3.41Å; I468-L476 HydrophobicContact CD1-CD1 4.02Å; I468-L476 HydrophobicContact CG1-CB 4.3Å; I468-L476 HydrophobicContact CG1-CD1 3.56Å; I468-L493 HydrophobicContact CD1-CD1 3.77Å; I468-L493 HydrophobicContact CG1-CD1 4.3Å; I468-W529 HydrophobicContact CD1-CE3 4.4Å; I468-W529 HydrophobicContact CD1-CZ3 3.98Å; I468-W529 HydrophobicContact CG1-CZ3 4.19Å; I468-V532 HydrophobicContact CD1-CG1 3.68Å; I468-V532 HydrophobicContact CG2-CG1 4.37Å; I468-I533 HydrophobicContact CD1-CG1 3.69Å
469P74.8Confident75Confident1 Ų153.7 Ų53.71%0.00624%0.244CC..EExtended strand (participates in β ladder)trans-67.6153.2179.3-23.636.6000113F441 V467 E472 C473 Y477F441-P469 HydrophobicContact CD1-CB 3.57Å; F441-P469 HydrophobicContact CD1-CG 3.78Å; F441-P469 HydrophobicContact CD2-CG 3.87Å; F441-P469 HydrophobicContact CE1-CB 3.39Å; F441-P469 HydrophobicContact CE1-CG 3.5Å; F441-P469 HydrophobicContact CE2-CB 4.32Å; F441-P469 HydrophobicContact CE2-CG 3.49Å; F441-P469 VanDerWaalsContact CE2-CG 3.49Å; F441-P469 HydrophobicContact CG-CB 4.14Å; F441-P469 HydrophobicContact CG-CG 3.94Å; F441-P469 HydrophobicContact CZ-CB 3.74Å; F441-P469 HydrophobicContact CZ-CG 3.28Å; V467-P469 HydrophobicContact CG1-CG 4.43Å; P469-E472 HydrophobicContact CB-CB 4.22Å; P469-E472 HydrophobicContact CG-CB 4.37Å; P469-E472 CarbonylContact O-C 3.52Å; P469-C473 WeakPolarHBondContact O-CA 3.24Å; P469-C473 WeakPolarHBondContact O-CB 3.42Å; P469-C473 PolarHBondContact O-N 2.74Å; P469-C473 VanDerWaalsContact O-N 3.11Å; P469-Y477 HydrophobicContact CG-CD2 3.89Å; P469-Y477 HydrophobicContact CG-CE2 3.62Å
470E70.3Confident75.8Confident100 Ų10044.7 Ų44.747%0.46721%0.207SC..SBendtrans-67.6-39177.3-167.9173.4-172.500113.4S444 I446S444-E470 WeakPolarHBondContact O-CB 3.38Å; S444-E470 PolarHBondContact O-N 3.13Å; I446-E470 HydrophobicContact CD1-CB 4.49Å; I446-E470 HydrophobicContact CG1-CB 4.13Å; I446-E470 HydrophobicContact CG1-CG 4.19Å
471K60.1Low75.9Confident151 Ų15137.6 Ų37.666%0.65717%0.17SC*.THydrogen-bonded Turntrans-80.3-22.9179.7-63.9-177.4-179.2176.40113.8
472E61.8Low75.3Confident85 Ų8533.3 Ų33.340%0.39715%0.154SC..THydrogen-bonded Turntrans-123.648.1-180-67.4-178.3-119.200109.7P469 L474 V475 Y477P469-E472 HydrophobicContact CB-CB 4.22Å; P469-E472 HydrophobicContact CG-CB 4.37Å; P469-E472 CarbonylContact O-C 3.52Å; E472-L474 PolarHBondContact O-N 3.15Å; E472-V475 PolarHBondContact O-N 3.28Å; E472-Y477 PolarHBondContact OE2-OH 2.93Å
473C67.6Low74.2Confident11 Ų1130.2 Ų30.27%0.07414%0.139CC..THydrogen-bonded Turntrans-68-7.1-168.263.40000116I446 I468 P469 A536 P542I446-C473 HydrophobicContact CD1-CB 3.19Å; I468-C473 HydrophobicContact CG2-CB 4.49Å; I468-C473 WeakPolarHBondContact CG2-O 3.41Å; P469-C473 WeakPolarHBondContact O-CA 3.24Å; P469-C473 WeakPolarHBondContact O-CB 3.42Å; P469-C473 PolarHBondContact O-N 2.74Å; P469-C473 VanDerWaalsContact O-N 3.11Å; C473-A536 WeakPolarHBondContact O-CB 3.43Å; C473-P542 VanDerWaalsContact CB-CD 3.45Å; C473-P542 HydrophobicContact CB-CG 4.21Å
474L70.4Confident73Confident51 Ų5125.3 Ų25.327%0.26712%0.121SC..THydrogen-bonded Turntrans-96.28.3175.5-49.6-175.6000112.3E472 P492 L493 A536E472-L474 PolarHBondContact O-N 3.15Å; L474-P492 CarbonylContact O-C 3.57Å; L474-L493 WeakPolarHBondContact O-CB 3.3Å; L474-L493 PolarHBondContact O-N 2.89Å; L474-A536 HydrophobicContact CD2-CB 4.32Å; L474-A536 WeakPolarHBondContact CD2-O 3.48Å
475V70.9Confident71.6Confident31 Ų3125.9 Ų25.919%0.18813%0.125CC..EExtended strand (participates in β ladder)trans-126.9130.1-178.7-171.50000110.6E472 Y477E472-V475 PolarHBondContact O-N 3.28Å; V475-Y477 HydrophobicContact CB-CE2 3.73Å; V475-Y477 HydrophobicContact CG1-CD2 4.16Å; V475-Y477 HydrophobicContact CG1-CE1 4.24Å; V475-Y477 HydrophobicContact CG1-CE2 3.58Å
476L82.3Confident70.5Confident0 Ų030.1 Ų30.10%014%0.144CC..EExtended strand (participates in β ladder)trans-101.8117.6173.4178.866.3000109.9C466 I468 L478 T490 I491 L493 L509 F518 W529 I533C466-L476 HydrophobicContact CB-CD1 3.96Å; I468-L476 HydrophobicContact CD1-CD1 4.02Å; I468-L476 HydrophobicContact CG1-CB 4.3Å; I468-L476 HydrophobicContact CG1-CD1 3.56Å; L476-L478 HydrophobicContact CD2-CD1 4.04Å; L476-L478 HydrophobicContact CG-CD1 3.8Å; L476-T490 WeakPolarHBondContact O-CA 3.31Å; L476-I491 HydrophobicContact CB-CB 4.33Å; L476-I491 HydrophobicContact CD2-CD1 4.43Å; L476-I491 PolarHBondContact N-O 2.91Å; L476-I491 PolarHBondContact O-N 3.41Å; L476-L493 HydrophobicContact CB-CD1 3.96Å; L476-L493 HydrophobicContact CB-CD2 3.74Å; L476-L493 HydrophobicContact CB-CG 3.85Å; L476-L493 HydrophobicContact CD2-CD2 4.2Å; L476-L509 HydrophobicContact CD2-CD1 4.13Å; L476-F518 HydrophobicContact CD2-CE1 4.5Å; L476-F518 HydrophobicContact CD2-CZ 4.07Å; L476-W529 HydrophobicContact CD1-CH2 4.39Å; L476-W529 HydrophobicContact CD1-CZ3 3.86Å; L476-I533 HydrophobicContact CD2-CD1 4.34Å
477Y80.8Confident69.5Low16 Ų1631 Ų316%0.06315%0.151CC..EExtended strand (participates in β ladder)trans-97.7128.1177.6-60.2-100.4000109.8I436 C466 V467 P469 E472 V475 Y479 A487 T490I436-Y477 HydrophobicContact CD1-CE1 3.99Å; C466-Y477 CarbonylContact C-O 3.55Å; C466-Y477 VanDerWaalsContact CA-O 3.29Å; C466-Y477 WeakPolarHBondContact CA-O 3.47Å; V467-Y477 PolarHBondContact N-O 2.83Å; V467-Y477 PolarHBondContact O-N 3.24Å; P469-Y477 HydrophobicContact CG-CD2 3.89Å; P469-Y477 HydrophobicContact CG-CE2 3.62Å; E472-Y477 PolarHBondContact OE2-OH 2.93Å; V475-Y477 HydrophobicContact CB-CE2 3.73Å; V475-Y477 HydrophobicContact CG1-CD2 4.16Å; V475-Y477 HydrophobicContact CG1-CE1 4.24Å; V475-Y477 HydrophobicContact CG1-CE2 3.58Å; Y477-Y479 HydrophobicContact CG-CE2 4.33Å; Y477-A487 HydrophobicContact CD1-CB 4.24Å; Y477-T490 HydrophobicContact CD1-CG2 3.4Å; Y477-T490 VanDerWaalsContact CD1-CG2 3.4Å; Y477-T490 HydrophobicContact CE1-CG2 3.72Å; Y477-T490 HydrophobicContact CG-CG2 4.26Å
478L81.4Confident68.6Low2 Ų235.6 Ų35.61%0.0118%0.175CC..EExtended strand (participates in β ladder)trans-105.6115.2175.3-78.264.2000108.3H453 V464 L476 A487 L488 C489 I491 F518H453-L478 HydrophobicContact CB-CD2 4.37Å; V464-L478 HydrophobicContact CG2-CD2 4.28Å; V464-L478 HydrophobicContact CG2-CG 4.27Å; L476-L478 HydrophobicContact CD2-CD1 4.04Å; L476-L478 HydrophobicContact CG-CD1 3.8Å; L478-A487 CarbonylContact O-C 3.59Å; L478-A487 WeakPolarHBondContact O-CA 3.14Å; L478-L488 WeakPolarHBondContact O-CB 3.38Å; L478-L488 PolarHBondContact O-N 3.23Å; L478-C489 HydrophobicContact CB-CB 4.25Å; L478-C489 HydrophobicContact CD2-CB 4.4Å; L478-C489 PolarHBondContact N-O 3.36Å; L478-C489 PolarHBondContact O-N 3.02Å; L478-I491 HydrophobicContact CD1-CD1 3.86Å; L478-I491 HydrophobicContact CD1-CG1 4.27Å; L478-I491 HydrophobicContact CD2-CD1 4.46Å; L478-F518 HydrophobicContact CD1-CE1 4.24Å; L478-F518 HydrophobicContact CD1-CZ 4.17Å; L478-F518 HydrophobicContact CD2-CE1 3.78Å; L478-F518 HydrophobicContact CD2-CZ 3.95Å; L478-F518 HydrophobicContact CG-CE1 4.16Å; L478-F518 HydrophobicContact CG-CZ 4.46Å
479Y76Confident68.1Low1 Ų137.1 Ų37.10%0.00419%0.185CC..EExtended strand (participates in β ladder)trans-104.4157.2171.8-62.1-93.7000109I436 A438 V464 W465 V467 Y477 A481 D484 K486 A487I436-Y479 WeakPolarHBondContact O-CE1 3.29Å; I436-Y479 PolarHBondContact O-OH 2.9Å; A438-Y479 HydrophobicContact CB-CD1 3.83Å; A438-Y479 HydrophobicContact CB-CD2 3.85Å; A438-Y479 HydrophobicContact CB-CE1 3.81Å; A438-Y479 HydrophobicContact CB-CE2 3.83Å; A438-Y479 HydrophobicContact CB-CG 3.85Å; V464-Y479 CarbonylContact C-O 3.41Å; V464-Y479 VanDerWaalsContact CA-O 3.31Å; V464-Y479 WeakPolarHBondContact CA-O 3.35Å; V464-Y479 VanDerWaalsContact CB-O 3.28Å; V464-Y479 WeakPolarHBondContact CB-O 3.18Å; W465-Y479 PolarHBondContact N-O 3.33Å; W465-Y479 PolarHBondContact O-N 2.81Å; V467-Y479 HydrophobicContact CB-CE2 4.37Å; V467-Y479 HydrophobicContact CG2-CD2 4.18Å; V467-Y479 HydrophobicContact CG2-CE2 4.12Å; Y477-Y479 HydrophobicContact CG-CE2 4.33Å; Y479-A481 WeakPolarHBondContact CB-O 3.48Å; Y479-A481 PolarHBondContact O-N 3.24Å; Y479-D484 HydrophobicContact CD1-CB 4.07Å; Y479-D484 WeakPolarHBondContact CD1-O 3.27Å; Y479-K486 VanDerWaalsContact CD1-C 3.47Å; Y479-K486 WeakPolarHBondContact CD1-O 3.14Å; Y479-K486 VanDerWaalsContact CE1-C 3.47Å; Y479-A487 HydrophobicContact CD1-CB 4.22Å; Y479-A487 HydrophobicContact CE1-CB 3.91Å; Y479-A487 VanDerWaalsContact CE1-N 3.27Å; Y479-A487 HydrophobicContact CE2-CB 4.4Å
480G72.8Confident68.1Low7 Ų740.8 Ų40.87%0.07221%0.208CC..SBendtrans-68.5-23.5168.800000111.1T365 D484T365-G480 WeakPolarHBondContact CG2-O 3.17Å; T365-G480 VanDerWaalsContact OG1-C 3.23Å; T365-G480 WeakPolarHBondContact OG1-CA 3.46Å; G480-D484 WeakPolarHBondContact CA-OD2 3.44Å; G480-D484 PolarHBondContact N-OD2 3.44Å
481A67.9Low68.4Low0 Ų036 Ų360%019%0.186CC..SBendtrans-160.4160.6-18000000114.5E363 T365 W465 Y479 Q483 D484E363-A481 CarbonylContact O-C 3.39Å; E363-A481 WeakPolarHBondContact O-CB 3.46Å; T365-A481 HydrophobicContact CG2-CB 3.82Å; W465-A481 VanDerWaalsContact CB-C 3.42Å; Y479-A481 WeakPolarHBondContact CB-O 3.48Å; Y479-A481 PolarHBondContact O-N 3.24Å; A481-Q483 PolarHBondContact O-N 2.76Å; A481-D484 PolarHBondContact N-OD2 3.42Å; A481-D484 WeakPolarHBondContact O-CB 3.39Å; A481-D484 PolarHBondContact O-N 2.89Å; A481-D484 VanDerWaalsContact O-N 3.13Å
482P63.8Low68.9Low5 Ų532.1 Ų32.13%0.03218%0.176CC..THydrogen-bonded Turntrans-50.6-27.5-176.6-21.519.1000117.5E363 A438 F450 W465E363-P482 HydrophobicContact CB-CB 4.21Å; E363-P482 HydrophobicContact CB-CG 3.87Å; E363-P482 HydrophobicContact CG-CG 4.1Å; E363-P482 WeakPolarHBondContact O-CD 3.27Å; E363-P482 VanDerWaalsContact O-N 3.12Å; A438-P482 WeakPolarHBondContact CB-O 3.06Å; F450-P482 HydrophobicContact CE1-CG 4.25Å; F450-P482 HydrophobicContact CE2-CG 3.88Å; F450-P482 HydrophobicContact CZ-CG 3.48Å; F450-P482 VanDerWaalsContact CZ-CG 3.48Å; W465-P482 HydrophobicContact CB-CG 4.4Å; W465-P482 VanDerWaalsContact CD1-CA 3.42Å; W465-P482 HydrophobicContact CD2-CB 3.75Å; W465-P482 HydrophobicContact CD2-CG 3.54Å; W465-P482 HydrophobicContact CE3-CB 4.17Å; W465-P482 HydrophobicContact CE3-CG 3.5Å; W465-P482 VanDerWaalsContact CG-CA 3.43Å; W465-P482 HydrophobicContact CG-CB 4.06Å; W465-P482 HydrophobicContact CG-CG 3.97Å; W465-P482 HydrophobicContact CH2-CB 4.41Å; W465-P482 HydrophobicContact CH2-CG 4.28Å; W465-P482 HydrophobicContact CZ2-CB 4.05Å; W465-P482 HydrophobicContact CZ2-CG 4.34Å; W465-P482 HydrophobicContact CZ3-CB 4.46Å; W465-P482 HydrophobicContact CZ3-CG 3.87Å
483Q58.8Low69.4Low33 Ų3328 Ų2815%0.15416%0.157CC..THydrogen-bonded Turntrans-120.117.6-173.2-44.4-62.6-1.100112.9I359 E363 V364 M368 A481I359-Q483 HydrophobicContact CD1-CB 4.32Å; I359-Q483 HydrophobicContact CD1-CG 4.1Å; I359-Q483 HydrophobicContact CG1-CG 4.46Å; I359-Q483 HydrophobicContact CG2-CB 4.18Å; I359-Q483 HydrophobicContact CG2-CG 3.49Å; I359-Q483 VanDerWaalsContact CG2-CG 3.49Å; E363-Q483 HydrophobicContact CB-CG 4.11Å; E363-Q483 PolarHBondContact O-N 3.02Å; E363-Q483 PolarHBondContact OE2-NE2 2.83Å; V364-Q483 HydrophobicContact CG2-CB 4.05Å; V364-Q483 HydrophobicContact CG2-CG 4.36Å; M368-Q483 HydrophobicContact CE-CB 2.99Å; M368-Q483 HydrophobicContact CE-CG 3.96Å; M368-Q483 VanDerWaalsContact CE-O 3.3Å; M368-Q483 WeakPolarHBondContact CE-O 3.36Å; A481-Q483 PolarHBondContact O-N 2.76Å
484D56.9Low69.1Low1 Ų132 Ų321%0.00518%0.177CC..  trans-72.2140.6173.2-69.8-13.5000110.4V364 T365 M366 A438 Y479 G480 A481 K486V364-D484 WeakPolarHBondContact CG1-OD1 3.44Å; T365-D484 PolarHBondContact N-OD1 2.91Å; T365-D484 PolarHBondContact OG1-OD2 3.17Å; M366-D484 HydrophobicContact CE-CB 3.68Å; M366-D484 WeakPolarHBondContact CE-OD2 3.39Å; M366-D484 HydrophobicContact CG-CB 3.85Å; M366-D484 WeakPolarHBondContact CG-OD1 3.19Å; M366-D484 PolarHBondContact N-OD1 2.61Å; M366-D484 HydrophobicContact SD-CB 3.78Å; A438-D484 WeakPolarHBondContact CB-O 3.3Å; A438-D484 PolarHBondContact N-O 2.83Å; A438-D484 VanDerWaalsContact N-O 3.14Å; Y479-D484 HydrophobicContact CD1-CB 4.07Å; Y479-D484 WeakPolarHBondContact CD1-O 3.27Å; G480-D484 WeakPolarHBondContact CA-OD2 3.44Å; G480-D484 PolarHBondContact N-OD2 3.44Å; A481-D484 PolarHBondContact N-OD2 3.42Å; A481-D484 WeakPolarHBondContact O-CB 3.39Å; A481-D484 PolarHBondContact O-N 2.89Å; A481-D484 VanDerWaalsContact O-N 3.13Å; D484-K486 VanDerWaalsContact C-N 3.34Å
485V54.7Low68.4Low14 Ų1431.8 Ų31.89%0.08519%0.187CC..SBendtrans-92.66.6-172.2-61.10000113.7R371 E437R371-V485 HydrophobicContact CB-CG2 4.24Å; R371-V485 HydrophobicContact CG-CG2 3.54Å; E437-V485 HydrophobicContact CG-CB 3.97Å; E437-V485 HydrophobicContact CG-CG1 3.95Å
486K58.9Low68.9Low123 Ų12331 Ų3154%0.53518%0.181SC..SBendtrans-152.1130.4178.6-176.9-179.3175.6-176.60109.9M366 Y479 D484M366-K486 HydrophobicContact SD-CB 4.42Å; Y479-K486 VanDerWaalsContact CD1-C 3.47Å; Y479-K486 WeakPolarHBondContact CD1-O 3.14Å; Y479-K486 VanDerWaalsContact CE1-C 3.47Å; D484-K486 VanDerWaalsContact C-N 3.34Å
487A64.5Low68.9Low19 Ų1934.8 Ų34.816%0.15720%0.204CC..  trans-68.1137.3173.400000110.4Y477 L478 Y479 C489 T490Y477-A487 HydrophobicContact CD1-CB 4.24Å; L478-A487 CarbonylContact O-C 3.59Å; L478-A487 WeakPolarHBondContact O-CA 3.14Å; Y479-A487 HydrophobicContact CD1-CB 4.22Å; Y479-A487 HydrophobicContact CE1-CB 3.91Å; Y479-A487 VanDerWaalsContact CE1-N 3.27Å; Y479-A487 HydrophobicContact CE2-CB 4.4Å; A487-C489 VanDerWaalsContact C-N 3.32Å; A487-T490 HydrophobicContact CB-CG2 3.97Å
488L67.2Low69.3Low96 Ų9635.3 Ų35.350%0.50321%0.209SC..SBendtrans-67.3-37.6169.2-62.7176.6000110.7M366 V464 L478M366-L488 HydrophobicContact CE-CD2 4.35Å; V464-L488 HydrophobicContact CG1-CD1 4.4Å; L478-L488 WeakPolarHBondContact O-CB 3.38Å; L478-L488 PolarHBondContact O-N 3.23Å
489C68.7Low69.6Low32 Ų3240 Ų4022%0.21623%0.231CC..EExtended strand (participates in β ladder)trans-152.5149.9-178.1-1790000109.8L478 A487L478-C489 HydrophobicContact CB-CB 4.25Å; L478-C489 HydrophobicContact CD2-CB 4.4Å; L478-C489 PolarHBondContact N-O 3.36Å; L478-C489 PolarHBondContact O-N 3.02Å; A487-C489 VanDerWaalsContact C-N 3.32Å
490T73.5Confident70Confident78 Ų7844.4 Ų44.448%0.47925%0.254SS..EExtended strand (participates in β ladder)trans-129.1126.9174.952.60000109.1L476 Y477 A487L476-T490 WeakPolarHBondContact O-CA 3.31Å; Y477-T490 HydrophobicContact CD1-CG2 3.4Å; Y477-T490 VanDerWaalsContact CD1-CG2 3.4Å; Y477-T490 HydrophobicContact CE1-CG2 3.72Å; Y477-T490 HydrophobicContact CG-CG2 4.26Å; A487-T490 HydrophobicContact CB-CG2 3.97Å
491I77.8Confident70.4Confident1 Ų144.8 Ų44.81%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-113.6109.7-176.9-56173.6000107.6L476 L478 L493 Y496 H516 F518L476-I491 HydrophobicContact CB-CB 4.33Å; L476-I491 HydrophobicContact CD2-CD1 4.43Å; L476-I491 PolarHBondContact N-O 2.91Å; L476-I491 PolarHBondContact O-N 3.41Å; L478-I491 HydrophobicContact CD1-CD1 3.86Å; L478-I491 HydrophobicContact CD1-CG1 4.27Å; L478-I491 HydrophobicContact CD2-CD1 4.46Å; I491-L493 HydrophobicContact CG2-CD2 4.19Å; I491-L493 PolarHBondContact O-N 3.32Å; I491-L493 VanDerWaalsContact O-N 3.08Å; I491-Y496 HydrophobicContact CG2-CD1 4.29Å; I491-Y496 HydrophobicContact CG2-CD2 4.29Å; I491-Y496 HydrophobicContact CG2-CE1 3.96Å; I491-Y496 HydrophobicContact CG2-CE2 3.96Å; I491-Y496 HydrophobicContact CG2-CG 4.45Å; I491-H516 HydrophobicContact CD1-CB 4.13Å; I491-F518 HydrophobicContact CD1-CE2 4.11Å; I491-F518 HydrophobicContact CD1-CZ 3.67Å
492P70.6Confident70.7Confident68 Ų6852.2 Ų52.244%0.44230%0.296SS..EExtended strand (participates in β ladder)trans-70.9103.7171.529.1-30.4000107.5L474 L494 Y496L474-P492 CarbonylContact O-C 3.57Å; P492-L494 PolarHBondContact O-N 3.36Å; P492-Y496 HydrophobicContact CG-CE2 4.42Å; P492-Y496 WeakPolarHBondContact O-CD2 3.41Å; P492-Y496 WeakPolarHBondContact O-CE2 3.39Å
493L71.4Confident71.3Confident0 Ų055.1 Ų55.10%031%0.314CS..  trans-63-28.7-171.4-66.6177.9000111.7I468 L474 L476 I491 G495 Y496 L509 I533 A536 V537I468-L493 HydrophobicContact CD1-CD1 3.77Å; I468-L493 HydrophobicContact CG1-CD1 4.3Å; L474-L493 WeakPolarHBondContact O-CB 3.3Å; L474-L493 PolarHBondContact O-N 2.89Å; L476-L493 HydrophobicContact CB-CD1 3.96Å; L476-L493 HydrophobicContact CB-CD2 3.74Å; L476-L493 HydrophobicContact CB-CG 3.85Å; L476-L493 HydrophobicContact CD2-CD2 4.2Å; I491-L493 HydrophobicContact CG2-CD2 4.19Å; I491-L493 PolarHBondContact O-N 3.32Å; I491-L493 VanDerWaalsContact O-N 3.08Å; L493-G495 PolarHBondContact O-N 2.84Å; L493-G495 VanDerWaalsContact O-N 3.08Å; L493-Y496 WeakPolarHBondContact O-CB 3.34Å; L493-Y496 PolarHBondContact O-N 3.4Å; L493-L509 HydrophobicContact CD2-CD1 3.74Å; L493-I533 HydrophobicContact CD1-CG1 4.17Å; L493-I533 HydrophobicContact CD1-CG2 4.3Å; L493-I533 HydrophobicContact CD2-CG2 4.05Å; L493-A536 HydrophobicContact CB-CB 4.04Å; L493-A536 HydrophobicContact CD1-CB 3.49Å; L493-A536 VanDerWaalsContact CD1-CB 3.49Å; L493-A536 HydrophobicContact CG-CB 4.43Å; L493-V537 HydrophobicContact CB-CG1 3.91Å; L493-V537 HydrophobicContact CD2-CG1 4.48Å; L493-V537 WeakPolarHBondContact O-CA 3.33Å; L493-V537 VanDerWaalsContact O-CB 3.23Å; L493-V537 WeakPolarHBondContact O-CB 3.02Å; L493-V537 WeakPolarHBondContact O-CG1 3.33Å
494L61.2Low72.3Confident94 Ų9459.3 Ų59.349%0.49234%0.344SS..THydrogen-bonded Turntrans-54.6116.3-176.9-169.765.4000112.3P492 Q511P492-L494 PolarHBondContact O-N 3.36Å; L494-Q511 PolarHBondContact O-NE2 2.96Å
495G57.2Low73.7Confident47 Ų4759.9 Ų59.949%0.48535%0.349SS..THydrogen-bonded Turntrans81.77.6-179.400000115.6L493 Q511 V537L493-G495 PolarHBondContact O-N 2.84Å; L493-G495 VanDerWaalsContact O-N 3.08Å; G495-Q511 PolarHBondContact O-NE2 3.41Å; G495-V537 PolarHBondContact N-O 3.2Å
496Y80.3Confident75.4Confident15 Ų1559.2 Ų59.26%0.05935%0.345CS..  trans-78.1132.9166.2-85.1-106.6000110.5I491 P492 L493 L509 S510 Q511 F514 V537I491-Y496 HydrophobicContact CG2-CD1 4.29Å; I491-Y496 HydrophobicContact CG2-CD2 4.29Å; I491-Y496 HydrophobicContact CG2-CE1 3.96Å; I491-Y496 HydrophobicContact CG2-CE2 3.96Å; I491-Y496 HydrophobicContact CG2-CG 4.45Å; P492-Y496 HydrophobicContact CG-CE2 4.42Å; P492-Y496 WeakPolarHBondContact O-CD2 3.41Å; P492-Y496 WeakPolarHBondContact O-CE2 3.39Å; L493-Y496 WeakPolarHBondContact O-CB 3.34Å; L493-Y496 PolarHBondContact O-N 3.4Å; Y496-L509 HydrophobicContact CD1-CB 3.8Å; Y496-S510 CarbonylContact C-O 3.52Å; Y496-S510 WeakPolarHBondContact CA-O 3.31Å; Y496-Q511 HydrophobicContact CD1-CB 3.71Å; Y496-Q511 HydrophobicContact CD2-CB 3.79Å; Y496-Q511 HydrophobicContact CD2-CG 4.34Å; Y496-Q511 HydrophobicContact CE1-CB 3.69Å; Y496-Q511 HydrophobicContact CE2-CB 3.76Å; Y496-Q511 HydrophobicContact CE2-CG 4.35Å; Y496-Q511 HydrophobicContact CG-CB 3.77Å; Y496-F514 HydrophobicContact CE1-CB 4.39Å; Y496-V537 VanDerWaalsContact O-CB 3.24Å; Y496-V537 WeakPolarHBondContact O-CB 3.28Å; Y496-V537 WeakPolarHBondContact O-CG1 3.36Å
497T83.1Confident76.9Confident78 Ų7853.3 Ų53.348%0.47932%0.319SS..EExtended strand (participates in β ladder)trans-77.5135.916837.30000110.2L509 S510T497-L509 WeakPolarHBondContact O-CA 3.21Å; T497-S510 PolarHBondContact N-O 3.12Å; T497-S510 PolarHBondContact O-N 3.22Å; T497-S510 PolarHBondContact OG1-O 2.9Å; T497-S510 PolarHBondContact OG1-OG 3.2Å
498V88.9Confident78.2Confident28 Ų2855.8 Ų55.817%0.1732%0.324CS..EExtended strand (participates in β ladder)trans-110.5112.5-179.6-169.20000108.7F507 R508 L509 L530 I533 R534 V537V498-F507 HydrophobicContact CG1-CD2 4.38Å; V498-R508 WeakPolarHBondContact CA-O 3.48Å; V498-L509 HydrophobicContact CB-CD2 4.13Å; V498-L509 HydrophobicContact CG1-CD2 3.89Å; V498-L509 HydrophobicContact CG2-CD2 3.65Å; V498-L530 HydrophobicContact CG1-CD2 3.21Å; V498-I533 HydrophobicContact CG2-CG2 3.9Å; V498-R534 HydrophobicContact CB-CG 4.31Å; V498-R534 HydrophobicContact CG1-CG 4.42Å; V498-R534 HydrophobicContact CG2-CG 4.29Å; V498-V537 HydrophobicContact CG2-CB 4.44Å; V498-V537 HydrophobicContact CG2-CG1 3.71Å; V498-V537 HydrophobicContact CG2-CG2 3.93Å
499E87.1Confident79.3Confident101 Ų10151.2 Ų51.247%0.47230%0.3SS..EExtended strand (participates in β ladder)trans-118.5152.6-178.9-66.5174.3174.200110.3F507 R508E499-F507 CarbonylContact O-C 3.57Å; E499-F507 WeakPolarHBondContact O-CA 3.14Å; E499-F507 WeakPolarHBondContact O-CB 3.44Å; E499-R508 HydrophobicContact CB-CB 4.5Å; E499-R508 PolarHBondContact N-O 2.92Å; E499-R508 PolarHBondContact O-N 2.68Å
500D84.6Confident79.9Confident93 Ų9350.6 Ų50.650%0.49730%0.296SS..EExtended strand (participates in β ladder)trans-69.6138.2164.9-77.6-56.6000109.2K526D500-K526 WeakPolarHBondContact OD1-CE 3.21Å; D500-K526 IonicContact OD1-NZ 2.71Å; D500-K526 PolarHBondContact OD1-NZ 3.49Å
501A81.3Confident79.8Confident14 Ų1449.8 Ų49.812%0.11629%0.287CS..  trans-99.2159.7175.800000110.7T503 S506 R508 T517A501-T503 PolarHBondContact O-N 3.06Å; A501-S506 WeakPolarHBondContact CB-OG 3.21Å; A501-S506 PolarHBondContact N-O 3.19Å; A501-S506 VanDerWaalsContact N-O 3.12Å; A501-S506 PolarHBondContact O-OG 2.79Å; A501-R508 HydrophobicContact CB-CB 4.37Å; A501-T517 HydrophobicContact CB-CG2 3.79Å
502D74.9Confident79.5Confident156 Ų15655.8 Ų55.883%0.83433%0.329SS*.SBendtrans-65.9-13.3-169.6-52.8-53.3000114.2
503T75.6Confident79.1Confident66 Ų6662.1 Ų62.141%0.40535%0.35SS..SBendtrans-93.6150.4177.9540000112.1A501 S506A501-T503 PolarHBondContact O-N 3.06Å; T503-S506 PolarHBondContact N-OG 2.94Å; T503-S506 WeakPolarHBondContact O-CB 3.23Å; T503-S506 PolarHBondContact O-N 2.8Å; T503-S506 PolarHBondContact O-OG 3.25Å; T503-S506 WeakPolarHBondContact OG1-CB 3.34Å; T503-S506 PolarHBondContact OG1-OG 3.06Å
504P79.6Confident78.7Confident121 Ų12168.4 Ų68.479%0.78638%0.377SS*.THydrogen-bonded Turntrans-55.8141.7179.4-22.832.6000112.2S506P504-S506 PolarHBondContact O-N 3.1Å; P504-S506 VanDerWaalsContact O-N 3.09Å
505A86.4Confident79.7Confident13 Ų1366 Ų6611%0.10737%0.366CS..THydrogen-bonded Turntrans51.430.4-179.300000115A520 E523A505-A520 PolarHBondContact O-N 2.98Å; A505-E523 WeakPolarHBondContact CA-OE2 3.29Å
506S90.1Very high81.1Confident0 Ų064.4 Ų64.40%035%0.346CS..EExtended strand (participates in β ladder)trans-116.2152.3179.876.10000114.2A501 T503 P504 F518 K526A501-S506 WeakPolarHBondContact CB-OG 3.21Å; A501-S506 PolarHBondContact N-O 3.19Å; A501-S506 VanDerWaalsContact N-O 3.12Å; A501-S506 PolarHBondContact O-OG 2.79Å; T503-S506 PolarHBondContact N-OG 2.94Å; T503-S506 WeakPolarHBondContact O-CB 3.23Å; T503-S506 PolarHBondContact O-N 2.8Å; T503-S506 PolarHBondContact O-OG 3.25Å; T503-S506 WeakPolarHBondContact OG1-CB 3.34Å; T503-S506 PolarHBondContact OG1-OG 3.06Å; P504-S506 PolarHBondContact O-N 3.1Å; P504-S506 VanDerWaalsContact O-N 3.09Å; S506-F518 CarbonylContact C-O 3.59Å; S506-F518 WeakPolarHBondContact CA-O 3.44Å; S506-F518 WeakPolarHBondContact CB-O 3.2Å; S506-K526 WeakPolarHBondContact O-CE 3.43Å
507F92.1Very high81.6Confident0 Ų064 Ų640%035%0.346CS..EExtended strand (participates in β ladder)trans-142.4157.1177.564.9-86.7000110.6L451 V498 E499 L509 F518 K526 W529 L530 I533L451-F507 HydrophobicContact CD1-CE1 4.21Å; L451-F507 HydrophobicContact CD1-CZ 3.86Å; L451-F507 HydrophobicContact CD2-CE1 4.5Å; V498-F507 HydrophobicContact CG1-CD2 4.38Å; E499-F507 CarbonylContact O-C 3.57Å; E499-F507 WeakPolarHBondContact O-CA 3.14Å; E499-F507 WeakPolarHBondContact O-CB 3.44Å; F507-L509 HydrophobicContact CD2-CD2 4.21Å; F507-L509 HydrophobicContact CD2-CG 4.44Å; F507-L509 HydrophobicContact CE2-CD2 4.29Å; F507-L509 HydrophobicContact CE2-CG 4.33Å; F507-F518 HydrophobicContact CD1-CB 4.14Å; F507-F518 HydrophobicContact CD2-CB 4.22Å; F507-F518 HydrophobicContact CD2-CD2 4.36Å; F507-F518 HydrophobicContact CE1-CB 3.72Å; F507-F518 HydrophobicContact CE2-CB 3.8Å; F507-F518 AromaticContact CE2-CD2 3.82Å; F507-F518 HydrophobicContact CE2-CD2 3.82Å; F507-F518 HydrophobicContact CE2-CG 4.01Å; F507-F518 HydrophobicContact CG-CB 4.39Å; F507-F518 HydrophobicContact CZ-CB 3.54Å; F507-F518 HydrophobicContact CZ-CD2 4.27Å; F507-F518 AromaticContact CZ-CG 3.99Å; F507-F518 HydrophobicContact CZ-CG 3.99Å; F507-F518 PolarHBondContact N-O 3.21Å; F507-F518 PolarHBondContact O-N 3.14Å; F507-F518 VanDerWaalsContact O-O 3.1Å; F507-K526 HydrophobicContact CD1-CG 4.13Å; F507-W529 HydrophobicContact CE1-CB 4.26Å; F507-W529 HydrophobicContact CZ-CB 4.28Å; F507-L530 HydrophobicContact CB-CD2 3.78Å; F507-L530 HydrophobicContact CB-CG 4.47Å; F507-L530 HydrophobicContact CD1-CD2 4.3Å; F507-L530 HydrophobicContact CD1-CG 4.45Å; F507-L530 HydrophobicContact CD2-CD2 3.91Å; F507-L530 HydrophobicContact CG-CD2 3.75Å; F507-L530 HydrophobicContact CG-CG 4.36Å; F507-I533 HydrophobicContact CE2-CD1 3.75Å; F507-I533 HydrophobicContact CZ-CD1 3.86Å
508R90.9Very high82.1Confident70 Ų7060.3 Ų60.326%0.26432%0.323SS..EExtended strand (participates in β ladder)trans-122.4134.1-175.7-173.4-176.9-62.2-150.77109.6V498 E499 A501 V515 H516V498-R508 WeakPolarHBondContact CA-O 3.48Å; E499-R508 HydrophobicContact CB-CB 4.5Å; E499-R508 PolarHBondContact N-O 2.92Å; E499-R508 PolarHBondContact O-N 2.68Å; A501-R508 HydrophobicContact CB-CB 4.37Å; R508-V515 HydrophobicContact CG-CG1 3.67Å; R508-H516 CarbonylContact C-O 3.38Å; R508-H516 WeakPolarHBondContact CA-O 3.49Å
509L90.1Very high82.2Confident0 Ų059.7 Ų59.70%032%0.321CS..EExtended strand (participates in β ladder)trans-104.5121.5168.4-55.6-175.6000108.2L476 L493 Y496 T497 V498 F507 V515 H516 F518 I533L476-L509 HydrophobicContact CD2-CD1 4.13Å; L493-L509 HydrophobicContact CD2-CD1 3.74Å; Y496-L509 HydrophobicContact CD1-CB 3.8Å; T497-L509 WeakPolarHBondContact O-CA 3.21Å; V498-L509 HydrophobicContact CB-CD2 4.13Å; V498-L509 HydrophobicContact CG1-CD2 3.89Å; V498-L509 HydrophobicContact CG2-CD2 3.65Å; F507-L509 HydrophobicContact CD2-CD2 4.21Å; F507-L509 HydrophobicContact CD2-CG 4.44Å; F507-L509 HydrophobicContact CE2-CD2 4.29Å; F507-L509 HydrophobicContact CE2-CG 4.33Å; L509-V515 WeakPolarHBondContact O-CA 3.3Å; L509-H516 PolarHBondContact N-O 2.81Å; L509-H516 PolarHBondContact O-N 3.03Å; L509-F518 HydrophobicContact CD1-CD2 4.26Å; L509-F518 HydrophobicContact CD1-CE2 3.72Å; L509-F518 HydrophobicContact CG-CD2 4.19Å; L509-F518 HydrophobicContact CG-CE2 4Å; L509-I533 HydrophobicContact CD1-CG2 4.47Å; L509-I533 HydrophobicContact CD2-CG2 3.84Å
510S80.6Confident82.3Confident19 Ų1955.5 Ų55.513%0.13330%0.303CS..EExtended strand (participates in β ladder)trans-127.1135.5179.9450000111.5Y496 T497 F514Y496-S510 CarbonylContact C-O 3.52Å; Y496-S510 WeakPolarHBondContact CA-O 3.31Å; T497-S510 PolarHBondContact N-O 3.12Å; T497-S510 PolarHBondContact O-N 3.22Å; T497-S510 PolarHBondContact OG1-O 2.9Å; T497-S510 PolarHBondContact OG1-OG 3.2Å; S510-F514 CarbonylContact C-O 3.46Å; S510-F514 WeakPolarHBondContact CA-O 3.26Å
511Q72.3Confident82.4Confident62 Ų6257.8 Ų57.829%0.2931%0.311SS..EExtended strand (participates in β ladder)trans-148113.8168.7-169178.654.100108.3L494 G495 Y496 K513 F514L494-Q511 PolarHBondContact O-NE2 2.96Å; G495-Q511 PolarHBondContact O-NE2 3.41Å; Y496-Q511 HydrophobicContact CD1-CB 3.71Å; Y496-Q511 HydrophobicContact CD2-CB 3.79Å; Y496-Q511 HydrophobicContact CD2-CG 4.34Å; Y496-Q511 HydrophobicContact CE1-CB 3.69Å; Y496-Q511 HydrophobicContact CE2-CB 3.76Å; Y496-Q511 HydrophobicContact CE2-CG 4.35Å; Y496-Q511 HydrophobicContact CG-CB 3.77Å; Q511-K513 PolarHBondContact O-N 2.73Å; Q511-F514 PolarHBondContact N-O 2.91Å; Q511-F514 PolarHBondContact O-N 2.72Å
512S71.2Confident82.6Confident126 Ų12659.1 Ų59.188%0.88132%0.32SS*.THydrogen-bonded Turntrans53.4-108.6-174.8-59.10000112.4
513K62.7Low83.1Confident202 Ų20255.2 Ų55.288%0.87830%0.296SS*.THydrogen-bonded Turntrans-96.8-6.1179.6-62.8-178.5-176.9173.60113.6Q511Q511-K513 PolarHBondContact O-N 2.73Å
514F63.2Low83.6Confident131 Ų13158.3 Ų58.358%0.57531%0.306SS*.EExtended strand (participates in β ladder)trans-90.7120.4-179.1-60.1-78.9000109.5Y496 S510 Q511Y496-F514 HydrophobicContact CE1-CB 4.39Å; S510-F514 CarbonylContact C-O 3.46Å; S510-F514 WeakPolarHBondContact CA-O 3.26Å; Q511-F514 PolarHBondContact N-O 2.91Å; Q511-F514 PolarHBondContact O-N 2.72Å
515V82.3Confident83.7Confident43 Ų4354.6 Ų54.626%0.26128%0.279SS..EExtended strand (participates in β ladder)trans-133.2117.6-179.1-177.40000108.8R508 L509R508-V515 HydrophobicContact CG-CG1 3.67Å; L509-V515 WeakPolarHBondContact O-CA 3.3Å
516H87.1Confident84Confident14 Ų1454.6 Ų54.67%0.06528%0.277CS..EExtended strand (participates in β ladder)trans-117125.5175.8-56.8-79000109.1H453 E455 I491 R508 L509 F518H453-H516 AromaticContact NE2-ND1 3.43Å; H453-H516 PolarHBondContact NE2-ND1 3.14Å; E455-H516 IonicContact OE1-CE1 2.77Å; E455-H516 IonicContact OE1-ND1 3.85Å; I491-H516 HydrophobicContact CD1-CB 4.13Å; R508-H516 CarbonylContact C-O 3.38Å; R508-H516 WeakPolarHBondContact CA-O 3.49Å; L509-H516 PolarHBondContact N-O 2.81Å; L509-H516 PolarHBondContact O-N 3.03Å; H516-F518 HydrophobicContact CB-CD2 4.39Å; H516-F518 HydrophobicContact CB-CE2 3.56Å; H516-F518 HydrophobicContact CB-CZ 4.09Å
517T90.7Very high83.8Confident8 Ų858.4 Ų58.45%0.04930%0.295CS..EExtended strand (participates in β ladder)trans-106.4132.3175.7-48.60000109.3H453 S454 W461 A501H453-T517 WeakPolarHBondContact CA-O 3.39Å; S454-T517 PolarHBondContact N-O 3.23Å; S454-T517 PolarHBondContact O-N 3.42Å; W461-T517 HydrophobicContact CH2-CG2 3.66Å; W461-T517 HydrophobicContact CZ2-CG2 4.38Å; W461-T517 HydrophobicContact CZ3-CG2 4.44Å; A501-T517 HydrophobicContact CB-CG2 3.79Å
518F93Very high83.5Confident0 Ų064.5 Ų64.50%032%0.318CS..EExtended strand (participates in β ladder)trans-120.7143.6179.8-64.9-87.9000110.9L451 Q452 H453 L476 L478 I491 S506 F507 L509 H516L451-F518 HydrophobicContact CB-CD1 4.14Å; L451-F518 HydrophobicContact CD1-CB 4.3Å; L451-F518 HydrophobicContact CD1-CD1 3.96Å; L451-F518 HydrophobicContact CD1-CG 4.37Å; Q452-F518 CarbonylContact O-C 3.56Å; Q452-F518 WeakPolarHBondContact O-CA 3.45Å; H453-F518 HydrophobicContact CB-CD1 4.21Å; H453-F518 HydrophobicContact CB-CE1 4.12Å; H453-F518 AromaticContact CD2-CE1 3.47Å; H453-F518 VanDerWaalsContact CD2-CE1 3.47Å; H453-F518 WeakPolarHBondContact CD2-CE1 3.2Å; H453-F518 AromaticContact CD2-CZ 3.55Å; L476-F518 HydrophobicContact CD2-CE1 4.5Å; L476-F518 HydrophobicContact CD2-CZ 4.07Å; L478-F518 HydrophobicContact CD1-CE1 4.24Å; L478-F518 HydrophobicContact CD1-CZ 4.17Å; L478-F518 HydrophobicContact CD2-CE1 3.78Å; L478-F518 HydrophobicContact CD2-CZ 3.95Å; L478-F518 HydrophobicContact CG-CE1 4.16Å; L478-F518 HydrophobicContact CG-CZ 4.46Å; I491-F518 HydrophobicContact CD1-CE2 4.11Å; I491-F518 HydrophobicContact CD1-CZ 3.67Å; S506-F518 CarbonylContact C-O 3.59Å; S506-F518 WeakPolarHBondContact CA-O 3.44Å; S506-F518 WeakPolarHBondContact CB-O 3.2Å; F507-F518 HydrophobicContact CD1-CB 4.14Å; F507-F518 HydrophobicContact CD2-CB 4.22Å; F507-F518 HydrophobicContact CD2-CD2 4.36Å; F507-F518 HydrophobicContact CE1-CB 3.72Å; F507-F518 HydrophobicContact CE2-CB 3.8Å; F507-F518 AromaticContact CE2-CD2 3.82Å; F507-F518 HydrophobicContact CE2-CD2 3.82Å; F507-F518 HydrophobicContact CE2-CG 4.01Å; F507-F518 HydrophobicContact CG-CB 4.39Å; F507-F518 HydrophobicContact CZ-CB 3.54Å; F507-F518 HydrophobicContact CZ-CD2 4.27Å; F507-F518 AromaticContact CZ-CG 3.99Å; F507-F518 HydrophobicContact CZ-CG 3.99Å; F507-F518 PolarHBondContact N-O 3.21Å; F507-F518 PolarHBondContact O-N 3.14Å; F507-F518 VanDerWaalsContact O-O 3.1Å; L509-F518 HydrophobicContact CD1-CD2 4.26Å; L509-F518 HydrophobicContact CD1-CE2 3.72Å; L509-F518 HydrophobicContact CG-CD2 4.19Å; L509-F518 HydrophobicContact CG-CE2 4Å; H516-F518 HydrophobicContact CB-CD2 4.39Å; H516-F518 HydrophobicContact CB-CE2 3.56Å; H516-F518 HydrophobicContact CB-CZ 4.09Å
519A91Very high83.4Confident15 Ų1561.1 Ų61.112%0.12431%0.305CS..EExtended strand (participates in β ladder)trans-129133.2168.800000111Q452 W461Q452-A519 HydrophobicContact CB-CB 4.11Å; Q452-A519 PolarHBondContact N-O 2.93Å; Q452-A519 PolarHBondContact O-N 3.45Å; W461-A519 HydrophobicContact CH2-CB 4.3Å; W461-A519 HydrophobicContact CZ3-CB 4.04Å
520A89.9Confident83.3Confident12 Ų1261.1 Ų61.110%0.09931%0.305CS..  trans-93.7161.8176.200000110.9L451 A505 S522 L525 K526L451-A520 HydrophobicContact CD2-CB 3.71Å; A505-A520 PolarHBondContact O-N 2.98Å; A520-S522 VanDerWaalsContact C-N 3.28Å; A520-S522 PolarHBondContact O-N 2.87Å; A520-L525 HydrophobicContact CB-CB 4.28Å; A520-L525 HydrophobicContact CB-CD2 4.39Å; A520-L525 HydrophobicContact CB-CG 4.25Å; A520-K526 HydrophobicContact CB-CB 3.82Å
521E84.7Confident83.6Confident141 Ų14167.4 Ų67.466%0.65933%0.33SS*.SBendtrans-71.5-21.8179.1-67.2177.5-17800112.7R463 L525R463-E521 IonicContact CZ-OE1 3.28Å; R463-E521 IonicContact NE-OE1 2.74Å; R463-E521 IonicContact NH2-OE1 3.51Å; R463-E521 PolarHBondContact NH2-OE1 3.32Å; E521-L525 HydrophobicContact CB-CD2 4.45Å
522S86.6Confident84.2Confident43 Ų4364.6 Ų64.630%0.30132%0.317SS..SBendtrans-147.1162.3174.691.60000112.1A520 E524 L525 K526A520-S522 VanDerWaalsContact C-N 3.28Å; A520-S522 PolarHBondContact O-N 2.87Å; S522-E524 VanDerWaalsContact C-N 3.31Å; S522-E524 WeakPolarHBondContact CB-OE2 3.13Å; S522-E524 PolarHBondContact O-N 3.43Å; S522-E524 PolarHBondContact OG-N 3.13Å; S522-E524 PolarHBondContact OG-OE2 2.94Å; S522-L525 PolarHBondContact O-N 2.87Å; S522-L525 PolarHBondContact OG-N 3.29Å; S522-L525 VanDerWaalsContact OG-N 3.15Å; S522-K526 PolarHBondContact O-N 3.3Å
523E85.4Confident84.8Confident73 Ų7358.6 Ų58.634%0.34128%0.275SS..Hα-helixtrans-66.8-35.3177.9-17060.6-142.600110.9A505 L525 K526 Q527A505-E523 WeakPolarHBondContact CA-OE2 3.29Å; E523-L525 PolarHBondContact O-N 3.33Å; E523-K526 WeakPolarHBondContact O-CB 3.29Å; E523-K526 PolarHBondContact O-N 2.81Å; E523-K526 WeakPolarHBondContact OE1-CD 3.48Å; E523-K526 VanDerWaalsContact OE1-CE 3.32Å; E523-K526 WeakPolarHBondContact OE1-CE 3.49Å; E523-K526 IonicContact OE1-NZ 2.56Å; E523-K526 PolarHBondContact OE1-NZ 3.47Å; E523-K526 IonicContact OE2-NZ 2.71Å; E523-K526 PolarHBondContact OE2-NZ 3.02Å; E523-Q527 WeakPolarHBondContact O-CG 3.19Å; E523-Q527 PolarHBondContact O-N 3.27Å; E523-Q527 PolarHBondContact OE1-NE2 2.87Å
524E85.4Confident85.8Confident131 Ų13153.7 Ų53.761%0.61225%0.251SS*.Hα-helixtrans-63-43.6176-57.170.1-147.900111S522 Q527 R528S522-E524 VanDerWaalsContact C-N 3.31Å; S522-E524 WeakPolarHBondContact CB-OE2 3.13Å; S522-E524 PolarHBondContact O-N 3.43Å; S522-E524 PolarHBondContact OG-N 3.13Å; S522-E524 PolarHBondContact OG-OE2 2.94Å; E524-Q527 PolarHBondContact O-N 2.99Å; E524-R528 WeakPolarHBondContact O-CG 3.24Å; E524-R528 PolarHBondContact O-N 3.16Å
525L83.2Confident86.4Confident44 Ų4448.3 Ų48.323%0.2323%0.231CC..Hα-helixtrans-66.7-39.6177-176.460.5000111.3M447 A520 E521 S522 E523 R528 W529M447-L525 HydrophobicContact CE-CD1 4.45Å; A520-L525 HydrophobicContact CB-CB 4.28Å; A520-L525 HydrophobicContact CB-CD2 4.39Å; A520-L525 HydrophobicContact CB-CG 4.25Å; E521-L525 HydrophobicContact CB-CD2 4.45Å; S522-L525 PolarHBondContact O-N 2.87Å; S522-L525 PolarHBondContact OG-N 3.29Å; S522-L525 VanDerWaalsContact OG-N 3.15Å; E523-L525 PolarHBondContact O-N 3.33Å; L525-R528 PolarHBondContact O-N 3.41Å; L525-W529 PolarHBondContact O-N 2.89Å; L525-W529 VanDerWaalsContact O-N 3.08Å
526K90.8Very high85.7Confident13 Ų1346.3 Ų46.36%0.05722%0.218CC..Hα-helixtrans-58.2-47.4171.3163.3178.2163.2-149.60111.3D500 S506 F507 A520 S522 E523 R528 W529 L530D500-K526 WeakPolarHBondContact OD1-CE 3.21Å; D500-K526 IonicContact OD1-NZ 2.71Å; D500-K526 PolarHBondContact OD1-NZ 3.49Å; S506-K526 WeakPolarHBondContact O-CE 3.43Å; F507-K526 HydrophobicContact CD1-CG 4.13Å; A520-K526 HydrophobicContact CB-CB 3.82Å; S522-K526 PolarHBondContact O-N 3.3Å; E523-K526 WeakPolarHBondContact O-CB 3.29Å; E523-K526 PolarHBondContact O-N 2.81Å; E523-K526 WeakPolarHBondContact OE1-CD 3.48Å; E523-K526 VanDerWaalsContact OE1-CE 3.32Å; E523-K526 WeakPolarHBondContact OE1-CE 3.49Å; E523-K526 IonicContact OE1-NZ 2.56Å; E523-K526 PolarHBondContact OE1-NZ 3.47Å; E523-K526 IonicContact OE2-NZ 2.71Å; E523-K526 PolarHBondContact OE2-NZ 3.02Å; K526-R528 VanDerWaalsContact C-N 3.29Å; K526-R528 PolarHBondContact O-N 3.25Å; K526-W529 PolarHBondContact O-N 3.05Å; K526-W529 VanDerWaalsContact O-N 3.13Å; K526-L530 HydrophobicContact CD-CD1 4.24Å; K526-L530 HydrophobicContact CG-CD1 3.61Å; K526-L530 HydrophobicContact CG-CG 4.12Å; K526-L530 WeakPolarHBondContact O-CB 3.39Å; K526-L530 VanDerWaalsContact O-CG 3.31Å; K526-L530 WeakPolarHBondContact O-CG 3.45Å; K526-L530 PolarHBondContact O-N 2.82Å
527Q86.9Confident84.6Confident79 Ų7946.5 Ų46.537%0.36922%0.22SC..Hα-helixtrans-63.9-34.7-179.7-67.5-52.9-37.300112.3E523 E524 L530 K531E523-Q527 WeakPolarHBondContact O-CG 3.19Å; E523-Q527 PolarHBondContact O-N 3.27Å; E523-Q527 PolarHBondContact OE1-NE2 2.87Å; E524-Q527 PolarHBondContact O-N 2.99Å; Q527-L530 PolarHBondContact O-N 3.12Å; Q527-K531 WeakPolarHBondContact O-CB 3.25Å; Q527-K531 PolarHBondContact O-N 2.92Å
528R85.4Confident83.2Confident128 Ų12849.4 Ų49.448%0.48324%0.238SC..Hα-helixtrans-62.3-45.4171.6-70.4176.365.9-175.21.4111.8M447 E524 L525 K526 K531 V532M447-R528 HydrophobicContact CE-CB 3.59Å; M447-R528 HydrophobicContact SD-CB 4.49Å; M447-R528 VanDerWaalsContact SD-O 3.38Å; E524-R528 WeakPolarHBondContact O-CG 3.24Å; E524-R528 PolarHBondContact O-N 3.16Å; L525-R528 PolarHBondContact O-N 3.41Å; K526-R528 VanDerWaalsContact C-N 3.29Å; K526-R528 PolarHBondContact O-N 3.25Å; R528-K531 PolarHBondContact O-N 3.18Å; R528-V532 PolarHBondContact O-N 3.31Å
529W89.9Confident81.1Confident0 Ų051 Ų510%026%0.255CS..Hα-helixtrans-64-45.3177.4-87.1109.6000111.7M447 L451 C466 I468 L476 F507 L525 K526 K531 V532 I533M447-W529 HydrophobicContact CB-CE3 4.42Å; M447-W529 HydrophobicContact CB-CH2 4.4Å; M447-W529 HydrophobicContact CB-CZ3 4.1Å; M447-W529 HydrophobicContact CE-CB 4.08Å; M447-W529 VanDerWaalsContact CE-CD1 3.44Å; M447-W529 HydrophobicContact CE-CD2 3.54Å; M447-W529 HydrophobicContact CE-CE3 4.23Å; M447-W529 HydrophobicContact CE-CG 3.42Å; M447-W529 VanDerWaalsContact CE-CG 3.42Å; M447-W529 HydrophobicContact CE-CZ2 4.49Å; M447-W529 HydrophobicContact CG-CD2 3.98Å; M447-W529 HydrophobicContact CG-CE3 3.83Å; M447-W529 HydrophobicContact CG-CH2 3.92Å; M447-W529 HydrophobicContact CG-CZ2 4.08Å; M447-W529 HydrophobicContact CG-CZ3 3.8Å; M447-W529 WeakPolarHBondContact SD-CA 3.27Å; M447-W529 HydrophobicContact SD-CB 4.3Å; M447-W529 HydrophobicContact SD-CD2 3.65Å; M447-W529 HydrophobicContact SD-CE3 3.71Å; M447-W529 HydrophobicContact SD-CG 3.92Å; M447-W529 HydrophobicContact SD-CZ3 4.29Å; L451-W529 HydrophobicContact CD1-CD2 3.98Å; L451-W529 HydrophobicContact CD1-CE3 4.48Å; L451-W529 HydrophobicContact CD1-CG 4.17Å; L451-W529 HydrophobicContact CD1-CZ2 4.36Å; L451-W529 HydrophobicContact CD2-CG 4.4Å; C466-W529 HydrophobicContact CB-CH2 3.45Å; C466-W529 VanDerWaalsContact CB-CH2 3.45Å; C466-W529 HydrophobicContact CB-CZ2 3.77Å; C466-W529 HydrophobicContact CB-CZ3 4.16Å; C466-W529 WeakPolarHBondContact O-CH2 3.42Å; I468-W529 HydrophobicContact CD1-CE3 4.4Å; I468-W529 HydrophobicContact CD1-CZ3 3.98Å; I468-W529 HydrophobicContact CG1-CZ3 4.19Å; L476-W529 HydrophobicContact CD1-CH2 4.39Å; L476-W529 HydrophobicContact CD1-CZ3 3.86Å; F507-W529 HydrophobicContact CE1-CB 4.26Å; F507-W529 HydrophobicContact CZ-CB 4.28Å; L525-W529 PolarHBondContact O-N 2.89Å; L525-W529 VanDerWaalsContact O-N 3.08Å; K526-W529 PolarHBondContact O-N 3.05Å; K526-W529 VanDerWaalsContact O-N 3.13Å; W529-K531 VanDerWaalsContact C-N 3.31Å; W529-K531 PolarHBondContact O-N 2.95Å; W529-V532 PolarHBondContact O-N 3.26Å; W529-I533 HydrophobicContact CB-CD1 4.44Å; W529-I533 HydrophobicContact CE3-CD1 3.9Å; W529-I533 HydrophobicContact CE3-CG1 4.34Å; W529-I533 VanDerWaalsContact O-CB 3.31Å; W529-I533 WeakPolarHBondContact O-CB 3.36Å; W529-I533 VanDerWaalsContact O-CG1 3.28Å; W529-I533 WeakPolarHBondContact O-CG1 3.44Å; W529-I533 PolarHBondContact O-N 2.83Å
530L88.1Confident79.5Confident0 Ų054.4 Ų54.40%027%0.268CS..Hα-helixtrans-62.6-37177.1-72.6174.9000112.2V498 F507 K526 Q527 V532 R534V498-L530 HydrophobicContact CG1-CD2 3.21Å; F507-L530 HydrophobicContact CB-CD2 3.78Å; F507-L530 HydrophobicContact CB-CG 4.47Å; F507-L530 HydrophobicContact CD1-CD2 4.3Å; F507-L530 HydrophobicContact CD1-CG 4.45Å; F507-L530 HydrophobicContact CD2-CD2 3.91Å; F507-L530 HydrophobicContact CG-CD2 3.75Å; F507-L530 HydrophobicContact CG-CG 4.36Å; K526-L530 HydrophobicContact CD-CD1 4.24Å; K526-L530 HydrophobicContact CG-CD1 3.61Å; K526-L530 HydrophobicContact CG-CG 4.12Å; K526-L530 WeakPolarHBondContact O-CB 3.39Å; K526-L530 VanDerWaalsContact O-CG 3.31Å; K526-L530 WeakPolarHBondContact O-CG 3.45Å; K526-L530 PolarHBondContact O-N 2.82Å; Q527-L530 PolarHBondContact O-N 3.12Å; L530-V532 PolarHBondContact O-N 3.17Å; L530-R534 WeakPolarHBondContact O-CB 3.48Å; L530-R534 WeakPolarHBondContact O-CD 3.41Å; L530-R534 WeakPolarHBondContact O-CG 3.38Å; L530-R534 PolarHBondContact O-N 2.9Å
531K86.1Confident78Confident151 Ų15159.2 Ų59.266%0.65730%0.296SS*.Hα-helixtrans-59.4-46.9176.5-175.3179.3179.8-178.90111.5Q527 R528 W529Q527-K531 WeakPolarHBondContact O-CB 3.25Å; Q527-K531 PolarHBondContact O-N 2.92Å; R528-K531 PolarHBondContact O-N 3.18Å; W529-K531 VanDerWaalsContact C-N 3.31Å; W529-K531 PolarHBondContact O-N 2.95Å
532V83.6Confident76.8Confident3 Ų352.9 Ų52.92%0.01827%0.268CS..Hα-helixtrans-73-45.9-179.7174.80000111.1I446 M447 I468 R528 W529 L530 A535 A536 P542 P545I446-V532 HydrophobicContact CB-CG1 4.45Å; I446-V532 HydrophobicContact CG2-CB 4.45Å; I446-V532 HydrophobicContact CG2-CG1 3.56Å; I446-V532 HydrophobicContact CG2-CG2 4Å; M447-V532 HydrophobicContact CB-CB 4.31Å; M447-V532 HydrophobicContact CB-CG1 4.03Å; M447-V532 HydrophobicContact CB-CG2 4.13Å; M447-V532 HydrophobicContact SD-CB 4.03Å; M447-V532 HydrophobicContact SD-CG2 3.76Å; I468-V532 HydrophobicContact CD1-CG1 3.68Å; I468-V532 HydrophobicContact CG2-CG1 4.37Å; R528-V532 PolarHBondContact O-N 3.31Å; W529-V532 PolarHBondContact O-N 3.26Å; L530-V532 PolarHBondContact O-N 3.17Å; V532-A535 PolarHBondContact O-N 2.93Å; V532-A536 PolarHBondContact O-N 3.01Å; V532-P542 HydrophobicContact CB-CB 4.48Å; V532-P542 HydrophobicContact CG1-CB 3.89Å; V532-P542 HydrophobicContact CG1-CG 4.03Å; V532-P545 HydrophobicContact CG2-CG 3.94Å
533I84.7Confident75.3Confident0 Ų055 Ų550%029%0.287CS..Hα-helixtrans-65.8-41.5-178.9-68.9170.1000111I468 L476 L493 V498 F507 L509 W529 A535 A536 V537I468-I533 HydrophobicContact CD1-CG1 3.69Å; L476-I533 HydrophobicContact CD2-CD1 4.34Å; L493-I533 HydrophobicContact CD1-CG1 4.17Å; L493-I533 HydrophobicContact CD1-CG2 4.3Å; L493-I533 HydrophobicContact CD2-CG2 4.05Å; V498-I533 HydrophobicContact CG2-CG2 3.9Å; F507-I533 HydrophobicContact CE2-CD1 3.75Å; F507-I533 HydrophobicContact CZ-CD1 3.86Å; L509-I533 HydrophobicContact CD1-CG2 4.47Å; L509-I533 HydrophobicContact CD2-CG2 3.84Å; W529-I533 HydrophobicContact CB-CD1 4.44Å; W529-I533 HydrophobicContact CE3-CD1 3.9Å; W529-I533 HydrophobicContact CE3-CG1 4.34Å; W529-I533 VanDerWaalsContact O-CB 3.31Å; W529-I533 WeakPolarHBondContact O-CB 3.36Å; W529-I533 VanDerWaalsContact O-CG1 3.28Å; W529-I533 WeakPolarHBondContact O-CG1 3.44Å; W529-I533 PolarHBondContact O-N 2.83Å; I533-A535 VanDerWaalsContact C-N 3.29Å; I533-A535 PolarHBondContact O-N 3.18Å; I533-A536 CarbonylContact O-C 3.59Å; I533-A536 PolarHBondContact O-N 3.01Å; I533-A536 VanDerWaalsContact O-N 3.1Å; I533-V537 HydrophobicContact CG2-CG1 3.85Å; I533-V537 VanDerWaalsContact O-CG1 3.31Å; I533-V537 WeakPolarHBondContact O-CG1 3.38Å; I533-V537 PolarHBondContact O-N 3.41Å
534R83.9Confident73.9Confident99 Ų9957.5 Ų57.537%0.37429%0.294SS..Hα-helixtrans-63.3-33.1179.2-73.7170176.3156.1-2.3113V498 L530 V537 T538V498-R534 HydrophobicContact CB-CG 4.31Å; V498-R534 HydrophobicContact CG1-CG 4.42Å; V498-R534 HydrophobicContact CG2-CG 4.29Å; L530-R534 WeakPolarHBondContact O-CB 3.48Å; L530-R534 WeakPolarHBondContact O-CD 3.41Å; L530-R534 WeakPolarHBondContact O-CG 3.38Å; L530-R534 PolarHBondContact O-N 2.9Å; R534-V537 WeakPolarHBondContact O-CG2 3.47Å; R534-T538 WeakPolarHBondContact O-CG2 3.47Å; R534-T538 PolarHBondContact O-OG1 2.96Å
535A75.1Confident72.5Confident18 Ų1852.7 Ų52.715%0.14927%0.274CS..Hα-helixtrans-70.5-44.7170.900000111.2V532 I533 V537 T538 G539 E540 P542V532-A535 PolarHBondContact O-N 2.93Å; I533-A535 VanDerWaalsContact C-N 3.29Å; I533-A535 PolarHBondContact O-N 3.18Å; A535-V537 PolarHBondContact O-N 3.35Å; A535-T538 PolarHBondContact O-N 3.33Å; A535-T538 PolarHBondContact O-OG1 3.22Å; A535-G539 PolarHBondContact O-N 3.19Å; A535-E540 CarbonylContact C-O 3.42Å; A535-E540 HydrophobicContact CB-CB 4.27Å; A535-E540 WeakPolarHBondContact O-CB 3.34Å; A535-E540 PolarHBondContact O-N 2.94Å; A535-P542 HydrophobicContact CB-CB 3.86Å; A535-P542 HydrophobicContact CB-CG 4.25Å
536A68.9Low70.7Confident0 Ų059 Ų590%030%0.302CS..Hα-helixtrans-64.6-39.117900000113.6C473 L474 L493 V532 I533 T538 G539 P542C473-A536 WeakPolarHBondContact O-CB 3.43Å; L474-A536 HydrophobicContact CD2-CB 4.32Å; L474-A536 WeakPolarHBondContact CD2-O 3.48Å; L493-A536 HydrophobicContact CB-CB 4.04Å; L493-A536 HydrophobicContact CD1-CB 3.49Å; L493-A536 VanDerWaalsContact CD1-CB 3.49Å; L493-A536 HydrophobicContact CG-CB 4.43Å; V532-A536 PolarHBondContact O-N 3.01Å; I533-A536 CarbonylContact O-C 3.59Å; I533-A536 PolarHBondContact O-N 3.01Å; I533-A536 VanDerWaalsContact O-N 3.1Å; A536-T538 PolarHBondContact O-N 2.66Å; A536-G539 PolarHBondContact O-N 2.84Å; A536-P542 HydrophobicContact CB-CG 4.06Å
537V63.4Low68.4Low18 Ų1864.3 Ų64.311%0.10934%0.336CS..Hα-helixtrans-68.7-20179.1-56.10000113.3L493 G495 Y496 V498 I533 R534 A535L493-V537 HydrophobicContact CB-CG1 3.91Å; L493-V537 HydrophobicContact CD2-CG1 4.48Å; L493-V537 WeakPolarHBondContact O-CA 3.33Å; L493-V537 VanDerWaalsContact O-CB 3.23Å; L493-V537 WeakPolarHBondContact O-CB 3.02Å; L493-V537 WeakPolarHBondContact O-CG1 3.33Å; G495-V537 PolarHBondContact N-O 3.2Å; Y496-V537 VanDerWaalsContact O-CB 3.24Å; Y496-V537 WeakPolarHBondContact O-CB 3.28Å; Y496-V537 WeakPolarHBondContact O-CG1 3.36Å; V498-V537 HydrophobicContact CG2-CB 4.44Å; V498-V537 HydrophobicContact CG2-CG1 3.71Å; V498-V537 HydrophobicContact CG2-CG2 3.93Å; I533-V537 HydrophobicContact CG2-CG1 3.85Å; I533-V537 VanDerWaalsContact O-CG1 3.31Å; I533-V537 WeakPolarHBondContact O-CG1 3.38Å; I533-V537 PolarHBondContact O-N 3.41Å; R534-V537 WeakPolarHBondContact O-CG2 3.47Å; A535-V537 PolarHBondContact O-N 3.35Å
538T61.4Low65.8Low69 Ų6967.5 Ų67.542%0.42336%0.355SS..THydrogen-bonded Turntrans-98.16.3177.655.50000113K120 R534 A535 A536 E540K120-T538 PolarHBondContact NZ-O 3.22Å; R534-T538 WeakPolarHBondContact O-CG2 3.47Å; R534-T538 PolarHBondContact O-OG1 2.96Å; A535-T538 PolarHBondContact O-N 3.33Å; A535-T538 PolarHBondContact O-OG1 3.22Å; A536-T538 PolarHBondContact O-N 2.66Å; T538-E540 VanDerWaalsContact C-N 3.3Å; T538-E540 PolarHBondContact O-N 3.43Å
539G48.1Very low63.3Low34 Ų3465.2 Ų65.235%0.35137%0.372SS..THydrogen-bonded Turntrans77.911.3176.800000114.6A535 A536A535-G539 PolarHBondContact O-N 3.19Å; A536-G539 PolarHBondContact O-N 2.84Å
540E57.7Low60.4Low86 Ų8668.6 Ų68.640%0.40241%0.406SS..  trans-83.6141.4175.2-60.8-177.5176.800109.9K120 A535 T538 P542K120-E540 VanDerWaalsContact NZ-CG 3.34Å; K120-E540 IonicContact NZ-OE1 2.62Å; K120-E540 PolarHBondContact NZ-OE1 2.77Å; A535-E540 CarbonylContact C-O 3.42Å; A535-E540 HydrophobicContact CB-CB 4.27Å; A535-E540 WeakPolarHBondContact O-CB 3.34Å; A535-E540 PolarHBondContact O-N 2.94Å; T538-E540 VanDerWaalsContact C-N 3.3Å; T538-E540 PolarHBondContact O-N 3.43Å; E540-P542 WeakPolarHBondContact O-CD 3.35Å
541V59.3Low57.5Low114 Ų11477.1 Ų77.169%0.69145%0.446SS*.  trans-73.2107.1172.9-179.10000107.4A543V541-A543 PolarHBondContact O-N 3.28Å
542P59.7Low54.8Low8 Ų877.5 Ų77.55%0.05246%0.455CS..PPolyproline II helixtrans-70130.4-177.64.59.3000110.4I446 C473 V532 A535 A536 E540I446-P542 HydrophobicContact CD1-CB 4.46Å; I446-P542 HydrophobicContact CD1-CG 4.08Å; I446-P542 WeakPolarHBondContact CD1-O 3.36Å; I446-P542 WeakPolarHBondContact CG1-O 3.47Å; I446-P542 HydrophobicContact CG2-CB 3.96Å; I446-P542 HydrophobicContact CG2-CG 4.42Å; I446-P542 WeakPolarHBondContact CG2-O 3.16Å; C473-P542 VanDerWaalsContact CB-CD 3.45Å; C473-P542 HydrophobicContact CB-CG 4.21Å; V532-P542 HydrophobicContact CB-CB 4.48Å; V532-P542 HydrophobicContact CG1-CB 3.89Å; V532-P542 HydrophobicContact CG1-CG 4.03Å; A535-P542 HydrophobicContact CB-CB 3.86Å; A535-P542 HydrophobicContact CB-CG 4.25Å; A536-P542 HydrophobicContact CB-CG 4.06Å; E540-P542 WeakPolarHBondContact O-CD 3.35Å
543A55Low52.1Low86 Ų8684.6 Ų84.671%0.71149%0.493SS*.PPolyproline II helixtrans-71.4143.917500000111.1V541 P545V541-A543 PolarHBondContact O-N 3.28Å; A543-P545 WeakPolarHBondContact O-CD 3.08Å
544R54Low49.4Very low127 Ų12787.5 Ų87.548%0.47952%0.523SS..PPolyproline II helixtrans-57.9123173.9-149.8171.9-162.9-178.61108D443 S445 E546D443-R544 PolarHBondContact O-NH1 3.43Å; D443-R544 PolarHBondContact O-NH2 3.34Å; D443-R544 VanDerWaalsContact O-NH2 3.14Å; S445-R544 PolarHBondContact O-NE 3.07Å; S445-R544 PolarHBondContact O-NH2 3Å; R544-E546 PolarHBondContact O-N 3.13Å
545P56.5Low46.7Very low30 Ų3087.1 Ų87.120%0.19554%0.541CS..PPolyproline II helixtrans-60.9127.2-178.9-17.427.4000109.4I446 V532 A543 T547I446-P545 WeakPolarHBondContact O-CD 3.39Å; V532-P545 HydrophobicContact CG2-CG 3.94Å; A543-P545 WeakPolarHBondContact O-CD 3.08Å; P545-T547 PolarHBondContact O-N 3.21Å; P545-T547 VanDerWaalsContact O-N 3.15Å
546E45.7Very low44.4Very low176 Ų17695.2 Ų95.282%0.82258%0.576SS**PPolyproline II helixtrans-55.1122.1171.5-70.1-177.7170.800108.8R544 N548R544-E546 PolarHBondContact O-N 3.13Å; E546-N548 VanDerWaalsContact C-N 3.28Å; E546-N548 PolarHBondContact O-N 3.31Å
547T41.9Very low42.5Very low125 Ų125103.7 Ų103.777%0.76762%0.615SS**  trans-6896.1164.9490000106.6P545 G549P545-T547 PolarHBondContact O-N 3.21Å; P545-T547 VanDerWaalsContact O-N 3.15Å; T547-G549 PolarHBondContact O-N 3.41Å
548N33.8Very low40.9Very low146 Ų146107.3 Ų107.378%0.78165%0.647SS**  trans-53.6115.5157.3-82.1-12000106.4E546E546-N548 VanDerWaalsContact C-N 3.28Å; E546-N548 PolarHBondContact O-N 3.31Å
549G32.2Very low39.3Very low80 Ų80111.1 Ų111.183%0.82567%0.665SS**  trans-58.2140.5171.600000110.1T547T547-G549 PolarHBondContact O-N 3.41Å
550G28.5Very low39Very low71 Ų71114.2 Ų114.273%0.73268%0.679SS**  trans123.278160.500000115.2
551E27.6Very low38Very low179 Ų179117.8 Ų117.884%0.83670%0.701SS**  -171.994.7128.2-96.5169.3-168.500102.8
552N28.9Very low37Very low158 Ų158119.3 Ų119.385%0.84571%0.705SS**  2263.960.2-11127.2000111.5G554N552-G554 PolarHBondContact O-N 3.08Å
553D28.7Very low35.9Very low153 Ų153131 Ų13182%0.81876%0.758SS**  trans-55.394.4139.5-101.1-21.6000106A555D553-A555 PolarHBondContact O-N 3.14Å
554G26.1Very low34.9Very low60 Ų60133.3 Ų133.362%0.61976%0.761SS**  trans-59.295.916200000107.3N552 Q556N552-G554 PolarHBondContact O-N 3.08Å; G554-Q556 PolarHBondContact O-N 2.76Å
555A28.8Very low33.9Very low91 Ų91133.6 Ų133.675%0.75278%0.776SS**  trans-57.499133.300000105.2D553 E557D553-A555 PolarHBondContact O-N 3.14Å; A555-E557 PolarHBondContact O-N 3.21Å
556Q26.9Very low32.7Very low189 Ų189139.3 Ų139.388%0.88381%0.808SS**  trans-53.497.5156.6-86.6173.2-3500106.3G554 A558G554-Q556 PolarHBondContact O-N 2.76Å; Q556-A558 PolarHBondContact O-N 3.24Å
557E28.7Very low31.9Very low177 Ų177137.2 Ų137.283%0.82781%0.807SS**  trans-61.596.2148.8-80-176.2161.100105.6A555 N559A555-E557 PolarHBondContact O-N 3.21Å; E557-N559 VanDerWaalsContact C-N 3.26Å; E557-N559 PolarHBondContact O-N 3Å
558A29.5Very low31.3Very low94 Ų94137.9 Ų137.978%0.77781%0.81SS**  trans-57102.1150.100000106.1Q556Q556-A558 PolarHBondContact O-N 3.24Å
559N27.8Very low31.1Very low149 Ų149137.4 Ų137.480%0.79781%0.812SS**  trans-84.5118.9163-136.78.2000106.6E557E557-N559 VanDerWaalsContact C-N 3.26Å; E557-N559 PolarHBondContact O-N 3Å
560P41Very low31Very low100 Ų100141.5 Ų141.565%0.64981%0.811SS**  trans-77.1122.1170.232.1-26.9000107.3
561D38.2Very low31.2Very low160 Ų160146.9 Ų146.986%0.85682%0.817SS**  trans16384.4144.9-82.8-18.2000108.4
562D37.6Very low31.5Very low147 Ų147144.3 Ų144.379%0.78682%0.815SS**  trans-157104.1133.9-118.3-14.8000108.9
563H36.1Very low31.8Very low253 Ų253143 Ų143100%1.17181%0.812SS**  trans78.20169-60-45.9000120.6

Retrieved 563 of 563 residues in 479.4 ms (Link to these results)

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