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Synaptotagmin-like protein 3

May act as Rab effector protein and play a role in vesicle trafficking. Binds phospholipids in the presence of calcium ions.

AlphaFold DB , UniProt , Accession Q99N48, Species MOUSE (Mus musculus, Mouse), Gene Sytl3, Length 607 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
1M34.1Very low68.4Low243 Ų243113.2 Ų113.2100%1.19759%0.593SS**  0129.50-61.4168.2-172.500106.9
2A45Very low69.7Low99 Ų99115.8 Ų115.882%0.81860%0.6SS**  trans-85.6122.7170.400000107.2E4A2-E4 PolarHBondContact O-N 3.42Å; A2-E4 VanDerWaalsContact O-N 3.1Å
3H55.1Low70.8Confident182 Ų182116.8 Ų116.884%0.84361%0.606SS**  trans-60.5115.8167.1-92.1-90.6000107.5V5H3-V5 PolarHBondContact O-N 3.29Å
4E63.8Low72Confident168 Ų168114.9 Ų114.979%0.78559%0.593SS**  trans-69.4113.9175.2-163.7157.2-137.800106.8A2 D6A2-E4 PolarHBondContact O-N 3.42Å; A2-E4 VanDerWaalsContact O-N 3.1Å; E4-D6 PolarHBondContact O-N 3.42Å; E4-D6 VanDerWaalsContact O-N 3.14Å
5V70.1Confident73Confident81 Ų81110.9 Ų110.949%0.49157%0.567SS.*  trans-72.1110.5-170.4173.30000108.5H3 F10 L141H3-V5 PolarHBondContact O-N 3.29Å; V5-F10 HydrophobicContact CG1-CE2 3.61Å; V5-F10 HydrophobicContact CG1-CZ 3.81Å; V5-L141 HydrophobicContact CB-CD2 4.11Å; V5-L141 HydrophobicContact CG1-CD2 4.14Å; V5-L141 WeakPolarHBondContact O-CD2 3.39Å
6D79.2Confident73.9Confident61 Ų61107.8 Ų107.833%0.32655%0.552SS.*  trans-83.6129.7173.7-176.59.1000110.4E4 E8 S9 F10 L148E4-D6 PolarHBondContact O-N 3.42Å; E4-D6 VanDerWaalsContact O-N 3.14Å; D6-E8 VanDerWaalsContact C-N 3.29Å; D6-E8 PolarHBondContact O-N 3.36Å; D6-E8 PolarHBondContact OD1-N 3.22Å; D6-S9 PolarHBondContact O-N 3.36Å; D6-S9 PolarHBondContact O-OG 3.37Å; D6-F10 WeakPolarHBondContact O-CD2 3.48Å; D6-F10 VanDerWaalsContact O-CE2 3.28Å; D6-F10 WeakPolarHBondContact O-CE2 3.41Å; D6-L148 WeakPolarHBondContact OD1-CD1 3.39Å
7L78.5Confident74.7Confident4 Ų4106.9 Ų106.92%0.02155%0.548CS..G310 helixtrans-75.5-16.9179-75.8164000112.9S9 R15 I18 L19 L22 L141 Y145L7-S9 VanDerWaalsContact C-N 3.32Å; L7-R15 WeakPolarHBondContact O-CD 3.37Å; L7-R15 WeakPolarHBondContact O-CG 3.47Å; L7-I18 HydrophobicContact CD2-CB 4.04Å; L7-I18 HydrophobicContact CD2-CD1 4.24Å; L7-I18 HydrophobicContact CD2-CG2 3.46Å; L7-I18 VanDerWaalsContact CD2-CG2 3.46Å; L7-L19 HydrophobicContact CD1-CD2 4.36Å; L7-L22 HydrophobicContact CD1-CD1 3.72Å; L7-L141 HydrophobicContact CD1-CB 4.16Å; L7-L141 HydrophobicContact CD1-CD2 4.06Å; L7-L141 HydrophobicContact CD2-CD2 4.44Å; L7-L141 HydrophobicContact CG-CD2 3.97Å; L7-Y145 HydrophobicContact CB-CD2 3.84Å; L7-Y145 HydrophobicContact CB-CG 4.34Å; L7-Y145 HydrophobicContact CD1-CG 4.21Å
8E77.5Confident75.5Confident92 Ų92103.8 Ų103.843%0.4353%0.531SS..G310 helixtrans-76.7-19175.1-59.3-165.3163.400112.8D6 F10 L148D6-E8 VanDerWaalsContact C-N 3.29Å; D6-E8 PolarHBondContact O-N 3.36Å; D6-E8 PolarHBondContact OD1-N 3.22Å; E8-F10 VanDerWaalsContact C-N 3.27Å; E8-F10 PolarHBondContact O-N 2.97Å; E8-L148 HydrophobicContact CG-CD1 4.46Å; E8-L148 WeakPolarHBondContact OE1-CB 3.41Å
9S81.3Confident76.2Confident92 Ų9299.2 Ų99.264%0.64351%0.508SS*.G310 helixtrans-72.9-12.2177.572.70000115.1D6 L7D6-S9 PolarHBondContact O-N 3.36Å; D6-S9 PolarHBondContact O-OG 3.37Å; L7-S9 VanDerWaalsContact C-N 3.32Å
10F82.8Confident76.8Confident66 Ų66102.4 Ų102.429%0.28951%0.513SS..SBendtrans-91.3150.3-178.1-66.9-88.7000112.2V5 D6 E8 E14 R15 I18V5-F10 HydrophobicContact CG1-CE2 3.61Å; V5-F10 HydrophobicContact CG1-CZ 3.81Å; D6-F10 WeakPolarHBondContact O-CD2 3.48Å; D6-F10 VanDerWaalsContact O-CE2 3.28Å; D6-F10 WeakPolarHBondContact O-CE2 3.41Å; E8-F10 VanDerWaalsContact C-N 3.27Å; E8-F10 PolarHBondContact O-N 2.97Å; F10-E14 HydrophobicContact CB-CB 4.11Å; F10-E14 HydrophobicContact CD1-CB 4.39Å; F10-R15 HydrophobicContact CB-CB 4.2Å; F10-I18 HydrophobicContact CD1-CD1 3.87Å; F10-I18 HydrophobicContact CD2-CD1 4.14Å; F10-I18 HydrophobicContact CE1-CD1 3.98Å; F10-I18 HydrophobicContact CE2-CD1 4.24Å; F10-I18 HydrophobicContact CG-CD1 3.94Å; F10-I18 HydrophobicContact CZ-CD1 4.16Å
11K85.7Confident77.5Confident157 Ų157102 Ų10268%0.68352%0.516SS*.  trans-60.1148.3172.3-63.1175.7-180175.40109.4L13 E14 R15K11-L13 PolarHBondContact O-N 3.4Å; K11-E14 HydrophobicContact CB-CG 4.27Å; K11-E14 WeakPolarHBondContact CB-OE2 3.49Å; K11-E14 PolarHBondContact N-OE2 2.84Å; K11-E14 WeakPolarHBondContact O-CA 3.44Å; K11-E14 WeakPolarHBondContact O-CB 3.43Å; K11-E14 PolarHBondContact O-N 3.34Å; K11-R15 PolarHBondContact O-N 3.04Å
12E83.9Confident80.2Confident144 Ų14491 Ų9167%0.67346%0.462SS*.Hα-helixtrans-52.4-38.3-170.4-54.7-156.2114.900114.2R15 D16E12-R15 IonicContact OE1-NH2 3.07Å; E12-R15 PolarHBondContact OE1-NH2 3.26Å; E12-R15 VanDerWaalsContact OE1-NH2 3.07Å; E12-D16 WeakPolarHBondContact O-CB 3.19Å; E12-D16 PolarHBondContact O-N 3.01Å
13L84Confident82.3Confident129 Ų12990 Ų9068%0.67544%0.438SS*.Hα-helixtrans-72.9-34.3179.2-164.4147.7000112.6K11 I17K11-L13 PolarHBondContact O-N 3.4Å; L13-I17 HydrophobicContact CD2-CD1 3.79Å; L13-I17 WeakPolarHBondContact O-CD1 3.32Å; L13-I17 VanDerWaalsContact O-CG1 3.25Å; L13-I17 WeakPolarHBondContact O-CG1 3.23Å; L13-I17 PolarHBondContact O-N 3.32Å; L13-I17 VanDerWaalsContact O-N 3.17Å
14E86.9Confident83.9Confident91 Ų9190.5 Ų90.543%0.42543%0.432SS..Hα-helixtrans-69.6-45.3172.3-62.6171.8143.800110.2F10 K11 D16 I17 I18F10-E14 HydrophobicContact CB-CB 4.11Å; F10-E14 HydrophobicContact CD1-CB 4.39Å; K11-E14 HydrophobicContact CB-CG 4.27Å; K11-E14 WeakPolarHBondContact CB-OE2 3.49Å; K11-E14 PolarHBondContact N-OE2 2.84Å; K11-E14 WeakPolarHBondContact O-CA 3.44Å; K11-E14 WeakPolarHBondContact O-CB 3.43Å; K11-E14 PolarHBondContact O-N 3.34Å; E14-D16 PolarHBondContact O-N 3.37Å; E14-I17 PolarHBondContact O-N 2.83Å; E14-I18 VanDerWaalsContact O-CG1 3.3Å; E14-I18 WeakPolarHBondContact O-CG1 3.49Å; E14-I18 PolarHBondContact O-N 3.22Å
15R87.8Confident85.1Confident55 Ų5585.6 Ų85.621%0.20841%0.411CS..Hα-helixtrans-56.8-48.2175.2-175.7175.365.5-173.1-5.9111.5L7 F10 K11 E12 I17 I18 L19L7-R15 WeakPolarHBondContact O-CD 3.37Å; L7-R15 WeakPolarHBondContact O-CG 3.47Å; F10-R15 HydrophobicContact CB-CB 4.2Å; K11-R15 PolarHBondContact O-N 3.04Å; E12-R15 IonicContact OE1-NH2 3.07Å; E12-R15 PolarHBondContact OE1-NH2 3.26Å; E12-R15 VanDerWaalsContact OE1-NH2 3.07Å; R15-I17 PolarHBondContact O-N 3.31Å; R15-I18 PolarHBondContact O-N 2.72Å; R15-L19 HydrophobicContact CG-CD1 3.96Å; R15-L19 HydrophobicContact CG-CG 4.49Å; R15-L19 WeakPolarHBondContact O-CB 3.41Å; R15-L19 VanDerWaalsContact O-CG 3.22Å; R15-L19 WeakPolarHBondContact O-CG 3.33Å; R15-L19 PolarHBondContact O-N 2.87Å
16D87Confident86Confident61 Ų6185.8 Ų85.833%0.32641%0.407SS..Hα-helixtrans-61.2-42.5175.6172.648.6000112.4E12 E14 I18 L19 R20E12-D16 WeakPolarHBondContact O-CB 3.19Å; E12-D16 PolarHBondContact O-N 3.01Å; E14-D16 PolarHBondContact O-N 3.37Å; D16-I18 PolarHBondContact O-N 3.14Å; D16-L19 PolarHBondContact O-N 3.37Å; D16-R20 VanDerWaalsContact CG-NE 3.26Å; D16-R20 WeakPolarHBondContact O-CB 3.4Å; D16-R20 VanDerWaalsContact O-CG 3.23Å; D16-R20 WeakPolarHBondContact O-CG 3.29Å; D16-R20 PolarHBondContact O-N 3.3Å; D16-R20 IonicContact OD1-CZ 3.91Å; D16-R20 IonicContact OD1-NE 2.89Å; D16-R20 PolarHBondContact OD1-NE 3.42Å; D16-R20 IonicContact OD1-NH2 3.11Å; D16-R20 PolarHBondContact OD1-NH2 2.96Å; D16-R20 IonicContact OD2-CZ 3.42Å; D16-R20 IonicContact OD2-NE 2.98Å; D16-R20 PolarHBondContact OD2-NE 2.85Å; D16-R20 IonicContact OD2-NH1 2.74Å; D16-R20 IonicContact OD2-NH2 3.11Å; D16-R20 PolarHBondContact OD2-NH2 3.47Å
17I87.3Confident86.5Confident93 Ų9386.9 Ų86.948%0.47742%0.416SS..Hα-helixtrans-60.4-45.6174.4-69.7166.2000111.1L13 E14 R15 R20 V21L13-I17 HydrophobicContact CD2-CD1 3.79Å; L13-I17 WeakPolarHBondContact O-CD1 3.32Å; L13-I17 VanDerWaalsContact O-CG1 3.25Å; L13-I17 WeakPolarHBondContact O-CG1 3.23Å; L13-I17 PolarHBondContact O-N 3.32Å; L13-I17 VanDerWaalsContact O-N 3.17Å; E14-I17 PolarHBondContact O-N 2.83Å; R15-I17 PolarHBondContact O-N 3.31Å; I17-R20 PolarHBondContact O-N 3.3Å; I17-V21 WeakPolarHBondContact O-CG2 3.4Å; I17-V21 PolarHBondContact O-N 2.83Å
18I88.8Confident86.9Confident50 Ų5090.8 Ų90.826%0.25644%0.44SS..Hα-helixtrans-64.7-45.9178.9-62.2160.6000110.3L7 F10 E14 R15 D16 R20 V21 L22L7-I18 HydrophobicContact CD2-CB 4.04Å; L7-I18 HydrophobicContact CD2-CD1 4.24Å; L7-I18 HydrophobicContact CD2-CG2 3.46Å; L7-I18 VanDerWaalsContact CD2-CG2 3.46Å; F10-I18 HydrophobicContact CD1-CD1 3.87Å; F10-I18 HydrophobicContact CD2-CD1 4.14Å; F10-I18 HydrophobicContact CE1-CD1 3.98Å; F10-I18 HydrophobicContact CE2-CD1 4.24Å; F10-I18 HydrophobicContact CG-CD1 3.94Å; F10-I18 HydrophobicContact CZ-CD1 4.16Å; E14-I18 VanDerWaalsContact O-CG1 3.3Å; E14-I18 WeakPolarHBondContact O-CG1 3.49Å; E14-I18 PolarHBondContact O-N 3.22Å; R15-I18 PolarHBondContact O-N 2.72Å; D16-I18 PolarHBondContact O-N 3.14Å; I18-R20 VanDerWaalsContact C-N 3.34Å; I18-R20 PolarHBondContact O-N 2.97Å; I18-V21 WeakPolarHBondContact O-CA 3.19Å; I18-V21 WeakPolarHBondContact O-CB 3.15Å; I18-V21 PolarHBondContact O-N 3.31Å; I18-L22 HydrophobicContact CG2-CD1 4Å; I18-L22 HydrophobicContact CG2-CG 4.21Å; I18-L22 WeakPolarHBondContact O-CG 3.19Å; I18-L22 PolarHBondContact O-N 3.43Å
19L88.8Confident87.3Confident16 Ų1689 Ų898%0.08443%0.432CS..Hα-helixtrans-59.1-41.9177.4-71.6169.7000112.2L7 R15 D16 V21 L22 Y23 L142 Y145L7-L19 HydrophobicContact CD1-CD2 4.36Å; R15-L19 HydrophobicContact CG-CD1 3.96Å; R15-L19 HydrophobicContact CG-CG 4.49Å; R15-L19 WeakPolarHBondContact O-CB 3.41Å; R15-L19 VanDerWaalsContact O-CG 3.22Å; R15-L19 WeakPolarHBondContact O-CG 3.33Å; R15-L19 PolarHBondContact O-N 2.87Å; D16-L19 PolarHBondContact O-N 3.37Å; L19-V21 VanDerWaalsContact C-N 3.27Å; L19-V21 PolarHBondContact O-N 2.98Å; L19-L22 PolarHBondContact O-N 2.66Å; L19-L22 VanDerWaalsContact O-N 3.15Å; L19-Y23 HydrophobicContact CB-CD2 4.28Å; L19-Y23 HydrophobicContact CB-CE2 4.18Å; L19-Y23 HydrophobicContact CD2-CE2 4.4Å; L19-Y23 WeakPolarHBondContact O-CD2 3.29Å; L19-Y23 PolarHBondContact O-N 3.07Å; L19-L142 HydrophobicContact CD2-CD1 4.28Å; L19-Y145 HydrophobicContact CD1-CD1 4.32Å; L19-Y145 HydrophobicContact CD1-CE1 3.61Å; L19-Y145 HydrophobicContact CD1-CE2 4.32Å; L19-Y145 HydrophobicContact CD2-CD1 3.4Å; L19-Y145 VanDerWaalsContact CD2-CD1 3.4Å; L19-Y145 HydrophobicContact CD2-CE1 3.56Å; L19-Y145 HydrophobicContact CD2-CG 3.93Å; L19-Y145 HydrophobicContact CG-CD1 4.5Å; L19-Y145 HydrophobicContact CG-CE1 4.25Å
20R88.8Confident87.6Confident164 Ų16487.5 Ų87.562%0.61942%0.421SS*.Hα-helixtrans-59.7-36.4173.9-71.5169.7-169.7-157.65.2112.6D16 I17 I18 R24D16-R20 VanDerWaalsContact CG-NE 3.26Å; D16-R20 WeakPolarHBondContact O-CB 3.4Å; D16-R20 VanDerWaalsContact O-CG 3.23Å; D16-R20 WeakPolarHBondContact O-CG 3.29Å; D16-R20 PolarHBondContact O-N 3.3Å; D16-R20 IonicContact OD1-CZ 3.91Å; D16-R20 IonicContact OD1-NE 2.89Å; D16-R20 PolarHBondContact OD1-NE 3.42Å; D16-R20 IonicContact OD1-NH2 3.11Å; D16-R20 PolarHBondContact OD1-NH2 2.96Å; D16-R20 IonicContact OD2-CZ 3.42Å; D16-R20 IonicContact OD2-NE 2.98Å; D16-R20 PolarHBondContact OD2-NE 2.85Å; D16-R20 IonicContact OD2-NH1 2.74Å; D16-R20 IonicContact OD2-NH2 3.11Å; D16-R20 PolarHBondContact OD2-NH2 3.47Å; I17-R20 PolarHBondContact O-N 3.3Å; I18-R20 VanDerWaalsContact C-N 3.34Å; I18-R20 PolarHBondContact O-N 2.97Å; R20-R24 VanDerWaalsContact O-CB 3.29Å; R20-R24 WeakPolarHBondContact O-CB 3.33Å; R20-R24 PolarHBondContact O-N 3.01Å
21V91.2Very high87.8Confident93 Ų9388.9 Ų88.956%0.56444%0.435SS*.Hα-helixtrans-68.5-45.5173.6175.10000110.7I17 I18 L19 R24 D25I17-V21 WeakPolarHBondContact O-CG2 3.4Å; I17-V21 PolarHBondContact O-N 2.83Å; I18-V21 WeakPolarHBondContact O-CA 3.19Å; I18-V21 WeakPolarHBondContact O-CB 3.15Å; I18-V21 PolarHBondContact O-N 3.31Å; L19-V21 VanDerWaalsContact C-N 3.27Å; L19-V21 PolarHBondContact O-N 2.98Å; V21-R24 PolarHBondContact O-N 2.89Å; V21-D25 WeakPolarHBondContact O-CB 3.46Å; V21-D25 PolarHBondContact O-N 2.98Å
22L90.5Very high87.9Confident14 Ų1485.6 Ų85.67%0.07342%0.422CS..Hα-helixtrans-64.6-44.8-179.6-65.2177.7000113L7 I18 L19 R24 D25 Q26 G138 L141 L142L7-L22 HydrophobicContact CD1-CD1 3.72Å; I18-L22 HydrophobicContact CG2-CD1 4Å; I18-L22 HydrophobicContact CG2-CG 4.21Å; I18-L22 WeakPolarHBondContact O-CG 3.19Å; I18-L22 PolarHBondContact O-N 3.43Å; L19-L22 PolarHBondContact O-N 2.66Å; L19-L22 VanDerWaalsContact O-N 3.15Å; L22-R24 VanDerWaalsContact C-N 3.34Å; L22-R24 PolarHBondContact O-N 3.26Å; L22-D25 PolarHBondContact O-N 2.92Å; L22-Q26 WeakPolarHBondContact O-CB 3.21Å; L22-Q26 PolarHBondContact O-N 2.89Å; L22-G138 VanDerWaalsContact CD2-CA 3.46Å; L22-L141 HydrophobicContact CD1-CB 3.93Å; L22-L141 HydrophobicContact CD2-CB 4.35Å; L22-L142 HydrophobicContact CB-CB 4.41Å; L22-L142 HydrophobicContact CB-CD1 4.14Å; L22-L142 HydrophobicContact CD1-CB 4.41Å
23Y89.6Confident88.1Confident78 Ų7884.2 Ų84.231%0.30642%0.416SS..Hα-helixtrans-65.3-36.4175.6-75.2-59.3000112.4L19 T27 L142L19-Y23 HydrophobicContact CB-CD2 4.28Å; L19-Y23 HydrophobicContact CB-CE2 4.18Å; L19-Y23 HydrophobicContact CD2-CE2 4.4Å; L19-Y23 WeakPolarHBondContact O-CD2 3.29Å; L19-Y23 PolarHBondContact O-N 3.07Å; Y23-T27 WeakPolarHBondContact O-CB 3.37Å; Y23-T27 PolarHBondContact O-N 2.63Å; Y23-T27 PolarHBondContact O-OG1 3.21Å; Y23-L142 HydrophobicContact CD1-CD1 4.23Å; Y23-L142 HydrophobicContact CD1-CD2 4.18Å; Y23-L142 HydrophobicContact CE1-CD1 3.83Å; Y23-L142 HydrophobicContact CE1-CD2 4.25Å; Y23-L142 HydrophobicContact CE2-CD1 4.36Å
24R88.9Confident88.3Confident191 Ų19181.5 Ų81.572%0.72140%0.399SS*.Hα-helixtrans-66.4-41.8172.7177.3177.4153.9-172.1-11.9111.4R20 V21 L22 T27 V28R20-R24 VanDerWaalsContact O-CB 3.29Å; R20-R24 WeakPolarHBondContact O-CB 3.33Å; R20-R24 PolarHBondContact O-N 3.01Å; V21-R24 PolarHBondContact O-N 2.89Å; L22-R24 VanDerWaalsContact C-N 3.34Å; L22-R24 PolarHBondContact O-N 3.26Å; R24-T27 WeakPolarHBondContact O-CB 3.3Å; R24-T27 PolarHBondContact O-N 3.48Å; R24-V28 WeakPolarHBondContact O-CG2 3.37Å; R24-V28 PolarHBondContact O-N 2.88Å
25D89.2Confident88.6Confident65 Ų6580.4 Ų80.435%0.34839%0.391SS..Hα-helixtrans-62.6-45.7175.8-170.456.1000111.1V21 L22 T27 V28 Q29V21-D25 WeakPolarHBondContact O-CB 3.46Å; V21-D25 PolarHBondContact O-N 2.98Å; L22-D25 PolarHBondContact O-N 2.92Å; D25-T27 VanDerWaalsContact C-N 3.27Å; D25-T27 PolarHBondContact O-N 2.93Å; D25-V28 PolarHBondContact O-N 2.84Å; D25-V28 VanDerWaalsContact O-N 3.08Å; D25-Q29 WeakPolarHBondContact O-CG 3.42Å; D25-Q29 PolarHBondContact O-N 2.96Å; D25-Q29 PolarHBondContact OD2-NE2 2.9Å
26Q88.6Confident88.7Confident85 Ų8579.1 Ų79.140%0.39739%0.39SS..Hα-helixtrans-56.1-38.7172.7-171.5-176.34300112.6L22 S30 L142L22-Q26 WeakPolarHBondContact O-CB 3.21Å; L22-Q26 PolarHBondContact O-N 2.89Å; Q26-S30 WeakPolarHBondContact O-CB 3.31Å; Q26-S30 PolarHBondContact O-N 3.25Å; Q26-S30 PolarHBondContact O-OG 2.91Å; Q26-S30 VanDerWaalsContact O-OG 3.11Å; Q26-L142 HydrophobicContact CB-CD2 4.11Å; Q26-L142 HydrophobicContact CG-CD2 4.29Å
27T88.9Confident88.9Confident84 Ų8480.9 Ų80.952%0.51539%0.392SS..Hα-helixtrans-68-38.1176.6-55.90000112.2Y23 R24 D25 S30 T31Y23-T27 WeakPolarHBondContact O-CB 3.37Å; Y23-T27 PolarHBondContact O-N 2.63Å; Y23-T27 PolarHBondContact O-OG1 3.21Å; R24-T27 WeakPolarHBondContact O-CB 3.3Å; R24-T27 PolarHBondContact O-N 3.48Å; D25-T27 VanDerWaalsContact C-N 3.27Å; D25-T27 PolarHBondContact O-N 2.93Å; T27-S30 PolarHBondContact O-OG 2.87Å; T27-S30 VanDerWaalsContact O-OG 3.13Å; T27-T31 WeakPolarHBondContact O-CB 3.42Å; T27-T31 PolarHBondContact O-N 2.8Å; T27-T31 PolarHBondContact O-OG1 3.36Å
28V86.9Confident89.1Confident87 Ų8783 Ų8353%0.52740%0.397SS..Hα-helixtrans-69.4-44.9174.8175.10000110.5R24 D25 T31 E32R24-V28 WeakPolarHBondContact O-CG2 3.37Å; R24-V28 PolarHBondContact O-N 2.88Å; D25-V28 PolarHBondContact O-N 2.84Å; D25-V28 VanDerWaalsContact O-N 3.08Å; V28-T31 PolarHBondContact O-N 2.77Å; V28-E32 WeakPolarHBondContact O-CB 3.42Å; V28-E32 PolarHBondContact O-N 3.28Å
29Q86.1Confident89.2Confident55 Ų5582.1 Ų82.126%0.25739%0.393SS..Hα-helixtrans-58.8-50177.3-71.4-175.334.200111.4D25 T31 E32 E33 T136D25-Q29 WeakPolarHBondContact O-CG 3.42Å; D25-Q29 PolarHBondContact O-N 2.96Å; D25-Q29 PolarHBondContact OD2-NE2 2.9Å; Q29-T31 VanDerWaalsContact C-N 3.31Å; Q29-T31 PolarHBondContact O-N 3.04Å; Q29-E32 PolarHBondContact O-N 2.73Å; Q29-E32 VanDerWaalsContact O-N 3.09Å; Q29-E33 WeakPolarHBondContact O-CG 3.49Å; Q29-E33 PolarHBondContact O-N 3.26Å; Q29-T136 PolarHBondContact NE2-OG1 3.25Å
30S87.8Confident89.3Confident60 Ų6084.3 Ų84.342%0.4240%0.402SS..Hα-helixtrans-63-35.4179.7610000113.2Q26 T27 E34Q26-S30 WeakPolarHBondContact O-CB 3.31Å; Q26-S30 PolarHBondContact O-N 3.25Å; Q26-S30 PolarHBondContact O-OG 2.91Å; Q26-S30 VanDerWaalsContact O-OG 3.11Å; T27-S30 PolarHBondContact O-OG 2.87Å; T27-S30 VanDerWaalsContact O-OG 3.13Å; S30-E34 WeakPolarHBondContact O-CB 3.44Å; S30-E34 PolarHBondContact O-N 2.84Å
31T87.4Confident89.4Confident94 Ų9479.6 Ų79.658%0.57739%0.394SS*.Hα-helixtrans-64.3-41.6173-57.80000111.7T27 V28 Q29 E34 R35T27-T31 WeakPolarHBondContact O-CB 3.42Å; T27-T31 PolarHBondContact O-N 2.8Å; T27-T31 PolarHBondContact O-OG1 3.36Å; V28-T31 PolarHBondContact O-N 2.77Å; Q29-T31 VanDerWaalsContact C-N 3.31Å; Q29-T31 PolarHBondContact O-N 3.04Å; T31-E34 PolarHBondContact O-N 3.36Å; T31-R35 PolarHBondContact O-N 2.87Å
32E86.7Confident89.3Confident88 Ų8880 Ų8041%0.41139%0.389SS..Hα-helixtrans-71.3-38.8178.5-175.168.1172.800111.8V28 Q29 E34 R35 V36V28-E32 WeakPolarHBondContact O-CB 3.42Å; V28-E32 PolarHBondContact O-N 3.28Å; Q29-E32 PolarHBondContact O-N 2.73Å; Q29-E32 VanDerWaalsContact O-N 3.09Å; E32-E34 PolarHBondContact O-N 3Å; E32-R35 WeakPolarHBondContact O-CB 3.38Å; E32-R35 PolarHBondContact O-N 3.3Å; E32-R35 IonicContact OE1-CZ 2.73Å; E32-R35 IonicContact OE1-NE 3.93Å; E32-R35 PolarHBondContact OE1-NE 3.42Å; E32-R35 IonicContact OE1-NH2 2.78Å; E32-R35 PolarHBondContact OE1-NH2 3.48Å; E32-R35 IonicContact OE2-CZ 3.79Å; E32-R35 IonicContact OE2-NE 2.73Å; E32-R35 PolarHBondContact OE2-NE 2.68Å; E32-R35 IonicContact OE2-NH2 3.12Å; E32-V36 VanDerWaalsContact O-CG2 3.24Å; E32-V36 WeakPolarHBondContact O-CG2 3.38Å; E32-V36 PolarHBondContact O-N 3.49Å
33E88.1Confident89.3Confident116 Ų11680 Ų8054%0.54239%0.389SS..Hα-helixtrans-60.5-42.6171.9-74-174154.700111.9Q29 V36 R37Q29-E33 WeakPolarHBondContact O-CG 3.49Å; Q29-E33 PolarHBondContact O-N 3.26Å; E33-V36 CarbonylContact O-C 3.51Å; E33-V36 PolarHBondContact O-N 2.9Å; E33-R37 WeakPolarHBondContact O-CB 3.4Å; E33-R37 PolarHBondContact O-N 3Å
34E89.7Confident89.3Confident71 Ų7177.8 Ų77.833%0.33238%0.382SS..Hα-helixtrans-65-38.7174.8-17954.3-154.500112.2S30 T31 E32 V36 R37 K38S30-E34 WeakPolarHBondContact O-CB 3.44Å; S30-E34 PolarHBondContact O-N 2.84Å; T31-E34 PolarHBondContact O-N 3.36Å; E32-E34 PolarHBondContact O-N 3Å; E34-V36 VanDerWaalsContact C-N 3.33Å; E34-V36 PolarHBondContact O-N 3.42Å; E34-R37 PolarHBondContact O-N 3.35Å; E34-R37 WeakPolarHBondContact OE2-CD 3.36Å; E34-R37 IonicContact OE2-CZ 3.47Å; E34-R37 IonicContact OE2-NE 3.42Å; E34-R37 IonicContact OE2-NH1 2.68Å; E34-R37 PolarHBondContact OE2-NH1 3.46Å; E34-K38 WeakPolarHBondContact O-CG 3.45Å; E34-K38 PolarHBondContact O-N 3.34Å; E34-K38 WeakPolarHBondContact OE1-CE 3.33Å; E34-K38 IonicContact OE1-NZ 3.62Å
35R92.4Very high89.3Confident69 Ų6974.5 Ų74.526%0.2638%0.375SS..Hα-helixtrans-60.7-42.3171.8-170.2-171.270.182-2.2111.6T31 E32 L39 K115T31-R35 PolarHBondContact O-N 2.87Å; E32-R35 WeakPolarHBondContact O-CB 3.38Å; E32-R35 PolarHBondContact O-N 3.3Å; E32-R35 IonicContact OE1-CZ 2.73Å; E32-R35 IonicContact OE1-NE 3.93Å; E32-R35 PolarHBondContact OE1-NE 3.42Å; E32-R35 IonicContact OE1-NH2 2.78Å; E32-R35 PolarHBondContact OE1-NH2 3.48Å; E32-R35 IonicContact OE2-CZ 3.79Å; E32-R35 IonicContact OE2-NE 2.73Å; E32-R35 PolarHBondContact OE2-NE 2.68Å; E32-R35 IonicContact OE2-NH2 3.12Å; R35-L39 WeakPolarHBondContact O-CG 3.22Å; R35-L39 PolarHBondContact O-N 2.81Å; R35-L39 VanDerWaalsContact O-N 3.13Å; R35-K115 PolarHBondContact NH1-O 3.03Å; R35-K115 PolarHBondContact NH2-O 2.88Å
36V90.1Very high89Confident28 Ų2873.5 Ų73.517%0.1737%0.369CS..Hα-helixtrans-67.3-41.5176.5172.50000111E32 E33 E34 L39 K40 T116E32-V36 VanDerWaalsContact O-CG2 3.24Å; E32-V36 WeakPolarHBondContact O-CG2 3.38Å; E32-V36 PolarHBondContact O-N 3.49Å; E33-V36 CarbonylContact O-C 3.51Å; E33-V36 PolarHBondContact O-N 2.9Å; E34-V36 VanDerWaalsContact C-N 3.33Å; E34-V36 PolarHBondContact O-N 3.42Å; V36-L39 PolarHBondContact O-N 3.28Å; V36-K40 HydrophobicContact CG1-CD 4.05Å; V36-K40 WeakPolarHBondContact O-CG 3.4Å; V36-K40 PolarHBondContact O-N 2.85Å; V36-T116 HydrophobicContact CB-CG2 4.38Å; V36-T116 HydrophobicContact CG1-CG2 4.08Å; V36-T116 HydrophobicContact CG2-CG2 3.94Å
37R91.3Very high88.9Confident98 Ų9875 Ų7537%0.3737%0.371SS..Hα-helixtrans-58-49.1176.1-168.6-171.3-79.494.5-5110.4E33 E34 K40 S41 E186E33-R37 WeakPolarHBondContact O-CB 3.4Å; E33-R37 PolarHBondContact O-N 3Å; E34-R37 PolarHBondContact O-N 3.35Å; E34-R37 WeakPolarHBondContact OE2-CD 3.36Å; E34-R37 IonicContact OE2-CZ 3.47Å; E34-R37 IonicContact OE2-NE 3.42Å; E34-R37 IonicContact OE2-NH1 2.68Å; E34-R37 PolarHBondContact OE2-NH1 3.46Å; R37-K40 PolarHBondContact O-N 2.99Å; R37-S41 WeakPolarHBondContact O-CB 3.35Å; R37-S41 PolarHBondContact O-N 3.5Å; R37-E186 IonicContact CZ-OE1 2.73Å; R37-E186 IonicContact NE-OE1 3.48Å; R37-E186 IonicContact NH2-OE1 3.86Å; R37-E186 PolarHBondContact NH2-OE1 2.66Å
38K91.7Very high88.7Confident136 Ų13678.4 Ų78.459%0.59137%0.374SS*.Hα-helixtrans-60.6-45175.6-69.3-178.6-168.6-173.10113.2E34 K40 S41 H42E34-K38 WeakPolarHBondContact O-CG 3.45Å; E34-K38 PolarHBondContact O-N 3.34Å; E34-K38 WeakPolarHBondContact OE1-CE 3.33Å; E34-K38 IonicContact OE1-NZ 3.62Å; K38-K40 VanDerWaalsContact C-N 3.33Å; K38-K40 PolarHBondContact O-N 3.47Å; K38-S41 PolarHBondContact O-N 2.73Å; K38-H42 PolarHBondContact O-N 2.69Å
39L89.6Confident88.2Confident32 Ų3280.9 Ų80.917%0.16838%0.378CS..Hα-helixtrans-61.3-40.6177.2-78.3173.1000112.4R35 V36 L43 V112 K115 T116R35-L39 WeakPolarHBondContact O-CG 3.22Å; R35-L39 PolarHBondContact O-N 2.81Å; R35-L39 VanDerWaalsContact O-N 3.13Å; V36-L39 PolarHBondContact O-N 3.28Å; L39-L43 PolarHBondContact O-N 2.84Å; L39-L43 VanDerWaalsContact O-N 3.15Å; L39-V112 HydrophobicContact CB-CG1 4.4Å; L39-V112 HydrophobicContact CB-CG2 4.33Å; L39-K115 HydrophobicContact CD1-CB 3.88Å; L39-K115 HydrophobicContact CD1-CD 4.47Å; L39-K115 HydrophobicContact CD2-CD 4.03Å; L39-T116 HydrophobicContact CD1-CG2 3.87Å
40K90.9Very high87.3Confident63 Ų6378.6 Ų78.627%0.27437%0.37SS..Hα-helixtrans-72.5-38.8178.4-72.8-179.9175.8-176.10112.8V36 R37 K38 H42 L43 Q44 V112 E118V36-K40 HydrophobicContact CG1-CD 4.05Å; V36-K40 WeakPolarHBondContact O-CG 3.4Å; V36-K40 PolarHBondContact O-N 2.85Å; R37-K40 PolarHBondContact O-N 2.99Å; K38-K40 VanDerWaalsContact C-N 3.33Å; K38-K40 PolarHBondContact O-N 3.47Å; K40-H42 PolarHBondContact O-N 2.96Å; K40-L43 PolarHBondContact O-N 2.97Å; K40-Q44 PolarHBondContact O-N 3.38Å; K40-V112 HydrophobicContact CG-CG1 4.22Å; K40-E118 VanDerWaalsContact CE-OE2 3.28Å; K40-E118 WeakPolarHBondContact CE-OE2 3.3Å; K40-E118 VanDerWaalsContact NZ-CD 3.32Å; K40-E118 IonicContact NZ-OE1 2.68Å; K40-E118 PolarHBondContact NZ-OE1 3.47Å; K40-E118 IonicContact NZ-OE2 3.77Å; K40-E118 PolarHBondContact NZ-OE2 3.06Å
41S91.3Very high86.1Confident64 Ų6478.9 Ų78.945%0.44838%0.375SS..Hα-helixtrans-59-45.1172.5178.60000111.6R37 K38 L43 Q44 H45R37-S41 WeakPolarHBondContact O-CB 3.35Å; R37-S41 PolarHBondContact O-N 3.5Å; K38-S41 PolarHBondContact O-N 2.73Å; S41-L43 PolarHBondContact O-N 3.34Å; S41-Q44 PolarHBondContact O-N 2.85Å; S41-H45 PolarHBondContact O-N 3.46Å
42H89.4Confident84.8Confident102 Ų10277.9 Ų77.947%0.47236%0.363SS..Hα-helixtrans-61.5-41.7174.9-176.1-159.1000112.6K38 K40 Q44 H45 L46K38-H42 PolarHBondContact O-N 2.69Å; K40-H42 PolarHBondContact O-N 2.96Å; H42-Q44 VanDerWaalsContact C-N 3.35Å; H42-Q44 PolarHBondContact O-N 3.27Å; H42-H45 PolarHBondContact O-N 3.49Å; H42-L46 WeakPolarHBondContact O-CG 3.4Å; H42-L46 PolarHBondContact O-N 2.87Å
43L90.2Very high83Confident13 Ų1377.9 Ų77.97%0.06837%0.372CS..Hα-helixtrans-64.3-37.2175-179.962.1000112.7L39 K40 S41 L46 R47 E108 D109 V112L39-L43 PolarHBondContact O-N 2.84Å; L39-L43 VanDerWaalsContact O-N 3.15Å; K40-L43 PolarHBondContact O-N 2.97Å; S41-L43 PolarHBondContact O-N 3.34Å; L43-L46 PolarHBondContact O-N 3.15Å; L43-R47 VanDerWaalsContact O-CG 3.31Å; L43-R47 WeakPolarHBondContact O-CG 3.44Å; L43-R47 PolarHBondContact O-N 3.22Å; L43-E108 HydrophobicContact CD1-CB 4.11Å; L43-D109 HydrophobicContact CD1-CB 4.17Å; L43-D109 HydrophobicContact CD2-CB 4.28Å; L43-V112 HydrophobicContact CB-CG2 4.21Å; L43-V112 HydrophobicContact CD2-CB 4.22Å; L43-V112 HydrophobicContact CD2-CG1 4.43Å; L43-V112 HydrophobicContact CD2-CG2 4.21Å
44Q89.8Confident81.1Confident33 Ų3378.8 Ų78.815%0.15439%0.392CS..Hα-helixtrans-65.7-43.3174.5-177.8172-11.800111.5K40 S41 H42 L46 R47 W48K40-Q44 PolarHBondContact O-N 3.38Å; S41-Q44 PolarHBondContact O-N 2.85Å; H42-Q44 VanDerWaalsContact C-N 3.35Å; H42-Q44 PolarHBondContact O-N 3.27Å; Q44-L46 VanDerWaalsContact C-N 3.33Å; Q44-L46 PolarHBondContact O-N 2.93Å; Q44-R47 WeakPolarHBondContact O-CB 3.47Å; Q44-R47 PolarHBondContact O-N 2.87Å; Q44-R47 VanDerWaalsContact O-N 3.11Å; Q44-W48 HydrophobicContact CG-CD2 4.26Å; Q44-W48 HydrophobicContact CG-CE3 4.39Å; Q44-W48 HydrophobicContact CG-CZ2 4.38Å; Q44-W48 VanDerWaalsContact NE2-CH2 3.3Å; Q44-W48 PolarHBondContact O-N 3Å
45H88.3Confident79.3Confident122 Ų12280.1 Ų80.157%0.56541%0.409SS*.Hα-helixtrans-60.3-40.8173.8-172.458.5000112.6S41 H42 R47 W48 K49S41-H45 PolarHBondContact O-N 3.46Å; H42-H45 PolarHBondContact O-N 3.49Å; H45-R47 VanDerWaalsContact C-N 3.33Å; H45-R47 PolarHBondContact O-N 3.13Å; H45-W48 PolarHBondContact O-N 3.28Å; H45-K49 WeakPolarHBondContact NE2-CE 2.8Å; H45-K49 PolarHBondContact NE2-NZ 3.5Å; H45-K49 PolarHBondContact O-N 3.35Å
46L84.6Confident77.2Confident44 Ų4483 Ų8323%0.2343%0.426CS..Hα-helixtrans-64.7-34.6173.7-74.7168.9000113H42 L43 Q44 V105 E108H42-L46 WeakPolarHBondContact O-CG 3.4Å; H42-L46 PolarHBondContact O-N 2.87Å; L43-L46 PolarHBondContact O-N 3.15Å; Q44-L46 VanDerWaalsContact C-N 3.33Å; Q44-L46 PolarHBondContact O-N 2.93Å; L46-V105 HydrophobicContact CB-CG2 4.44Å; L46-V105 WeakPolarHBondContact O-CG2 3.47Å; L46-E108 HydrophobicContact CD1-CB 3.9Å; L46-E108 HydrophobicContact CD1-CG 3.78Å
47R86.6Confident75.2Confident116 Ų11689.9 Ų89.944%0.43846%0.456SS..Hα-helixtrans-68.3-44.4173.3-71.9167.4179.3-167.31.1111L43 Q44 H45 G50 A51 V105 D109L43-R47 VanDerWaalsContact O-CG 3.31Å; L43-R47 WeakPolarHBondContact O-CG 3.44Å; L43-R47 PolarHBondContact O-N 3.22Å; Q44-R47 WeakPolarHBondContact O-CB 3.47Å; Q44-R47 PolarHBondContact O-N 2.87Å; Q44-R47 VanDerWaalsContact O-N 3.11Å; H45-R47 VanDerWaalsContact C-N 3.33Å; H45-R47 PolarHBondContact O-N 3.13Å; R47-G50 PolarHBondContact O-N 3.11Å; R47-A51 PolarHBondContact O-N 3.2Å; R47-V105 HydrophobicContact CG-CG1 3.62Å; R47-D109 IonicContact CZ-OD1 3.85Å; R47-D109 IonicContact NH2-OD1 3.33Å; R47-D109 PolarHBondContact NH2-OD1 2.79Å
48W83.9Confident73.2Confident156 Ų15695.2 Ų95.259%0.59148%0.477SS*.Hα-helixtrans-67.3-38.4178.5-77.5-21.5000113.8Q44 H45 G50 A51Q44-W48 HydrophobicContact CG-CD2 4.26Å; Q44-W48 HydrophobicContact CG-CE3 4.39Å; Q44-W48 HydrophobicContact CG-CZ2 4.38Å; Q44-W48 VanDerWaalsContact NE2-CH2 3.3Å; Q44-W48 PolarHBondContact O-N 3Å; H45-W48 PolarHBondContact O-N 3.28Å; W48-G50 PolarHBondContact O-N 3.25Å; W48-A51 WeakPolarHBondContact O-CB 3.5Å; W48-A51 PolarHBondContact O-N 3.43Å
49K77Confident71.5Confident138 Ų13896.4 Ų96.460%0.648%0.482SS*.THydrogen-bonded Turntrans-56.9-23.9174.4-85.7-174.4167.8-1800114.5H45H45-K49 WeakPolarHBondContact NE2-CE 2.8Å; H45-K49 PolarHBondContact NE2-NZ 3.5Å; H45-K49 PolarHBondContact O-N 3.35Å
50G65.7Low70.2Confident8 Ų8102.3 Ų102.38%0.08251%0.509CS..THydrogen-bonded Turntrans-96.4-11.9174.600000114.6R47 W48 K52 Q67R47-G50 PolarHBondContact O-N 3.11Å; W48-G50 PolarHBondContact O-N 3.25Å; G50-K52 PolarHBondContact O-N 2.92Å; G50-Q67 PolarHBondContact O-NE2 3.04Å
51A64Low69.7Low65 Ų65105.1 Ų105.154%0.53752%0.521SS..  trans-76115.4-177.900000109.8R47 W48R47-A51 PolarHBondContact O-N 3.2Å; W48-A51 WeakPolarHBondContact O-CB 3.5Å; W48-A51 PolarHBondContact O-N 3.43Å
52K58.4Low69.6Low74 Ų74103.8 Ų103.832%0.32251%0.512SS..  trans-64.4137.2167-108.8178.6172.8-171.10108.5G50 Q56G50-K52 PolarHBondContact O-N 2.92Å; K52-Q56 HydrophobicContact CD-CB 4.45Å
53S50.8Low69.6Low87 Ų8799 Ų9961%0.60849%0.489SS*.  trans-51141.4155.236.10000108.9S55S53-S55 PolarHBondContact O-N 3.22Å
54S48.2Very low69.5Low136 Ų13699.2 Ų99.295%0.95149%0.493SS*.THydrogen-bonded Turntrans-70.922.7-169.245.80000115.1
55S50.9Low69.4Low98 Ų9899.3 Ų99.369%0.68549%0.492SS*.THydrogen-bonded Turntrans-118.17.7-169.458.90000115S53S53-S55 PolarHBondContact O-N 3.22Å
56Q49.1Very low69.4Low131 Ų13195.9 Ų95.961%0.61248%0.482SS*.SBendtrans-127.6116.6174.1-80.5-176.4-11.400112.1K52K52-Q56 HydrophobicContact CD-CB 4.45Å
57E47.6Very low69.4Low171 Ų17196.7 Ų96.780%0.79948%0.484SS*.  trans-39.3153.4171.6-69.7178.212300113.7K59E57-K59 PolarHBondContact O-N 3.17Å
58Y49.5Very low69.4Low210 Ų21099.1 Ų99.182%0.82449%0.493SS*.  trans-69.464.5-179.1-118.1-99000112.2E60Y58-E60 VanDerWaalsContact C-N 3.31Å; Y58-E60 PolarHBondContact O-N 3.15Å
59K55.5Low69.5Low161 Ų16195.8 Ų95.870%0.750%0.499SS*.  trans-62.897.5160.8-78.8-176.6176.4174.70107.6E57 K61 C62E57-K59 PolarHBondContact O-N 3.17Å; K59-K61 PolarHBondContact O-N 3.49Å; K59-C62 PolarHBondContact O-N 2.91Å
60E62.8Low70Confident156 Ų15689.8 Ų89.873%0.72947%0.473SS*.THydrogen-bonded Turntrans-54.3-13.3-175.4-58.1-173.8117.400114.6Y58 C62Y58-E60 VanDerWaalsContact C-N 3.31Å; Y58-E60 PolarHBondContact O-N 3.15Å; E60-C62 PolarHBondContact O-N 2.93Å
61K81Confident70.7Confident123 Ų12391 Ų9154%0.53549%0.487SS..THydrogen-bonded Turntrans-93.432.7-176.6-56.3179.3-177.1173.50112.8K59 A69 L70K59-K61 PolarHBondContact O-N 3.49Å; K61-A69 CarbonylContact O-C 3.51Å; K61-A69 VanDerWaalsContact O-CA 3.3Å; K61-A69 WeakPolarHBondContact O-CA 3.23Å; K61-L70 PolarHBondContact O-N 2.85Å
62C87.5Confident71.5Confident36 Ų3694 Ų9424%0.24349%0.493CS..BIsolated β-bridgetrans-122.7144.5175.8-76.20000112.6K59 E60 A64K59-C62 PolarHBondContact O-N 2.91Å; E60-C62 PolarHBondContact O-N 2.93Å; C62-A64 PolarHBondContact O-N 3.3Å
63C90.5Very high72.4Confident0 Ų097.6 Ų97.60%052%0.515CS..  trans-75.7119.1173.5178.20000111.6R65 Q67 R68 L70 C88 C91C63-R65 PolarHBondContact O-N 2.98Å; C63-Q67 WeakPolarHBondContact O-CA 3.47Å; C63-Q67 PolarHBondContact O-N 3.05Å; C63-R68 PolarHBondContact N-O 3Å; C63-L70 HydrophobicContact CB-CD2 4.04Å; C63-C88 HydrophobicContact CB-CB 4.09Å; C63-C88 PolarHBondContact SG-N 3.22Å; C63-C91 VanDerWaalsContact SG-SG 3.7Å
64A88Confident73.7Confident19 Ų19100.7 Ų100.716%0.15752%0.523CS..THydrogen-bonded Turntrans-68.419.4-179.800000116.2C62 H85 R86C62-A64 PolarHBondContact O-N 3.3Å; A64-H85 HydrophobicContact CB-CB 3.68Å; A64-R86 PolarHBondContact N-O 2.89Å
65R88.4Confident75.3Confident35 Ų3597.4 Ų97.413%0.13250%0.495CS..THydrogen-bonded Turntrans-135.8-45.3-178.5-62.9-65.3169.3-121.87.8112.9C63 C83 V87 C91 C103C63-R65 PolarHBondContact O-N 2.98Å; R65-C83 PolarHBondContact NH2-SG 2.86Å; R65-V87 HydrophobicContact CB-CG1 4.44Å; R65-V87 HydrophobicContact CG-CG1 3.6Å; R65-C91 HydrophobicContact CB-CB 3.86Å; R65-C91 HydrophobicContact CG-CB 4.26Å; R65-C103 HydrophobicContact CG-CB 4.23Å; R65-C103 PolarHBondContact NE-SG 3.5Å; R65-C103 PolarHBondContact NH2-SG 3.35Å; R65-C103 VanDerWaalsContact NH2-SG 3.43Å
66C87.2Confident76.9Confident50 Ų50100.2 Ų100.234%0.33849%0.491SS..THydrogen-bonded Turntrans-114.33.2176.768.60000114R68 C88C66-R68 PolarHBondContact O-N 2.87Å; C66-C88 PolarHBondContact SG-SG 3.24Å
67Q85.6Confident78.8Confident60 Ų6094.5 Ų94.528%0.2847%0.467SS..  trans57.5-3.4179.6-59.8-62.6-20.800117G50 C63G50-Q67 PolarHBondContact O-NE2 3.04Å; C63-Q67 WeakPolarHBondContact O-CA 3.47Å; C63-Q67 PolarHBondContact O-N 3.05Å
68R86.2Confident80.8Confident167 Ų16787.5 Ų87.563%0.6344%0.438SS*.PPolyproline II helixtrans-53.2141.6171.6-69.2-175.8-178.3159.70.9111.4C63 C66C63-R68 PolarHBondContact N-O 3Å; C66-R68 PolarHBondContact O-N 2.87Å
69A86Confident82.9Confident86 Ų8680.7 Ų80.771%0.71142%0.418SS*.BIsolated β-bridgetrans-60143.8172.500000111.2K61K61-A69 CarbonylContact O-C 3.51Å; K61-A69 VanDerWaalsContact O-CA 3.3Å; K61-A69 WeakPolarHBondContact O-CA 3.23Å
70L87Confident84.7Confident12 Ų1273 Ų736%0.06339%0.385CS..PPolyproline II helixtrans-99.2124.6177.2-58.5175.2000107.9K61 C63 R86 C88K61-L70 PolarHBondContact O-N 2.85Å; C63-L70 HydrophobicContact CB-CD2 4.04Å; L70-R86 VanDerWaalsContact CD1-CD 3.46Å; L70-R86 HydrophobicContact CD1-CG 3.64Å; L70-C88 HydrophobicContact CD2-CB 3.65Å
71G81.2Confident86Confident35 Ų3573 Ų7336%0.36139%0.385SS..PPolyproline II helixtrans-73.8159.4-174.500000113.6L74 N75 R76G71-L74 CarbonylContact C-O 3.59Å; G71-L74 WeakPolarHBondContact CA-O 3.29Å; G71-L74 PolarHBondContact N-O 2.76Å; G71-N75 PolarHBondContact N-O 3.22Å; G71-R76 WeakPolarHBondContact O-CA 3.49Å; G71-R76 VanDerWaalsContact O-CG 3.29Å; G71-R76 WeakPolarHBondContact O-CG 3.49Å
72L79.7Confident86.3Confident127 Ų12769.4 Ų69.467%0.66538%0.383SS*.SBendtrans-76.6-25.4177.4-80.6159000113.5R76L72-R76 VanDerWaalsContact O-CZ 3.23Å; L72-R76 PolarHBondContact O-NE 2.85Å; L72-R76 PolarHBondContact O-NH2 3.36Å
73L76.9Confident86.4Confident150 Ų15069.5 Ų69.579%0.78538%0.384SS*.SBendtrans-113.8-63.5179.1-66170000109.9
74L78.7Confident86.5Confident151 Ų15174.2 Ų74.279%0.79142%0.417SS*.SBendtrans-90.5143.2176.2-62.2171.3000111G71 R76G71-L74 CarbonylContact C-O 3.59Å; G71-L74 WeakPolarHBondContact CA-O 3.29Å; G71-L74 PolarHBondContact N-O 2.76Å; L74-R76 PolarHBondContact O-N 3.1Å
75N81.6Confident86.6Confident67 Ų6777 Ų7736%0.35843%0.427SS..  trans55.942.1172.4-145.7-11.3000116.1G71 G77 C88 S89G71-N75 PolarHBondContact N-O 3.22Å; N75-G77 PolarHBondContact O-N 3.12Å; N75-C88 WeakPolarHBondContact OD1-CA 3.49Å; N75-C88 WeakPolarHBondContact OD1-CB 3.43Å; N75-S89 PolarHBondContact ND2-OG 3.25Å; N75-S89 PolarHBondContact OD1-N 3.44Å
76R84.7Confident86.7Confident157 Ų15780.8 Ų80.859%0.59244%0.441SS*.  trans-53.20.8173.7-68.7178.9171.7-174.8-3116.7G71 L72 L74 R86G71-R76 WeakPolarHBondContact O-CA 3.49Å; G71-R76 VanDerWaalsContact O-CG 3.29Å; G71-R76 WeakPolarHBondContact O-CG 3.49Å; L72-R76 VanDerWaalsContact O-CZ 3.23Å; L72-R76 PolarHBondContact O-NE 2.85Å; L72-R76 PolarHBondContact O-NH2 3.36Å; L74-R76 PolarHBondContact O-N 3.1Å; R76-R86 PolarHBondContact O-NH1 2.84Å
77G88.9Confident86.9Confident11 Ų1178.4 Ų78.411%0.11343%0.425CS..  trans67.8167.5-168.800000113.5N75 V87N75-G77 PolarHBondContact O-N 3.12Å; G77-V87 CarbonylContact C-O 3.56Å; G77-V87 WeakPolarHBondContact CA-O 3.25Å
78A90.9Very high87.2Confident24 Ų2475.7 Ų75.720%0.19841%0.412CS..EExtended strand (participates in β ladder)trans-145.5154.217200000109.5R86 V87 R92 W101A78-R86 CarbonylContact O-C 3.56Å; A78-R86 WeakPolarHBondContact O-CA 3.49Å; A78-V87 PolarHBondContact N-O 2.96Å; A78-V87 PolarHBondContact O-N 3.5Å; A78-R92 VanDerWaalsContact CB-CZ 3.44Å; A78-R92 VanDerWaalsContact N-NH2 3.16Å; A78-W101 HydrophobicContact CB-CH2 4.05Å; A78-W101 HydrophobicContact CB-CZ2 3.51Å; A78-W101 WeakPolarHBondContact O-CH2 3.44Å
79V93.1Very high87.4Confident67 Ų6769.8 Ų69.841%0.40640%0.397SS..EExtended strand (participates in β ladder)trans-84.5127.5-174.1174.40000110.9Q81 S84 W101V79-Q81 PolarHBondContact O-N 2.95Å; V79-S84 WeakPolarHBondContact CG1-O 3.44Å; V79-W101 VanDerWaalsContact C-CH2 3.44Å; V79-W101 VanDerWaalsContact O-CH2 3.31Å; V79-W101 WeakPolarHBondContact O-CH2 3.34Å; V79-W101 WeakPolarHBondContact O-CZ2 3.5Å
80C93.2Very high87.7Confident0 Ų072 Ų720%039%0.393CS..  trans-77.6120.5-179174.80000112.2G82 C83 S84 H85 W101 C103C80-G82 PolarHBondContact O-N 2.9Å; C80-C83 PolarHBondContact O-N 2.76Å; C80-S84 WeakPolarHBondContact O-CA 3.45Å; C80-S84 PolarHBondContact O-N 3.4Å; C80-H85 PolarHBondContact N-O 3.29Å; C80-W101 HydrophobicContact CB-CH2 4.05Å; C80-W101 HydrophobicContact CB-CZ3 3.93Å; C80-C103 HydrophobicContact CB-CB 3.96Å; C80-C103 PolarHBondContact SG-N 3.44Å; C80-C103 VanDerWaalsContact SG-SG 3.61Å
81Q89.4Confident88Confident156 Ų15672 Ų7273%0.72939%0.393SS*.THydrogen-bonded Turntrans-65.845.5174.2-60.1-66.6-9.200114.4V79 K102V79-Q81 PolarHBondContact O-N 2.95Å; Q81-K102 WeakPolarHBondContact O-CE 3.38Å; Q81-K102 PolarHBondContact O-NZ 3.48Å
82G87.5Confident88.5Confident48 Ų4873.3 Ų73.350%0.49539%0.387SS..THydrogen-bonded Turntrans-172.1-7.6-179.600000114.9C80C80-G82 PolarHBondContact O-N 2.9Å
83C90.3Very high89.1Confident37 Ų3769.1 Ų69.125%0.2537%0.367CS..THydrogen-bonded Turntrans-153.59.6170.1630000112.9R65 C80 H85 C106R65-C83 PolarHBondContact NH2-SG 2.86Å; C80-C83 PolarHBondContact O-N 2.76Å; C83-H85 PolarHBondContact O-N 2.81Å; C83-H85 PolarHBondContact O-ND1 3.23Å; C83-C106 VanDerWaalsContact CB-SG 3.54Å; C83-C106 PolarHBondContact SG-SG 3.23Å
84S91.8Very high89.7Confident100 Ų10068.1 Ų68.170%0.69936%0.356SS*.  trans53.97.9180-53.10000117.5V79 C80V79-S84 WeakPolarHBondContact CG1-O 3.44Å; C80-S84 WeakPolarHBondContact O-CA 3.45Å; C80-S84 PolarHBondContact O-N 3.4Å
85H89.6Confident89.9Confident78 Ų7862.3 Ų62.336%0.36133%0.326SS..  trans-79.2142.4177.3-70.990.3000112.6A64 C80 C83A64-H85 HydrophobicContact CB-CB 3.68Å; C80-H85 PolarHBondContact N-O 3.29Å; C83-H85 PolarHBondContact O-N 2.81Å; C83-H85 PolarHBondContact O-ND1 3.23Å
86R90.9Very high89.4Confident113 Ų11364.9 Ų64.943%0.42633%0.331SS..EExtended strand (participates in β ladder)trans-79.6128.9174.2-171.8178.8-74.1-91.9-0.8111.3A64 L70 R76 A78A64-R86 PolarHBondContact N-O 2.89Å; L70-R86 VanDerWaalsContact CD1-CD 3.46Å; L70-R86 HydrophobicContact CD1-CG 3.64Å; R76-R86 PolarHBondContact O-NH1 2.84Å; A78-R86 CarbonylContact O-C 3.56Å; A78-R86 WeakPolarHBondContact O-CA 3.49Å
87V90.7Very high88.5Confident0 Ų069.1 Ų69.10%035%0.347CS..EExtended strand (participates in β ladder)trans-136.7142.1-177.4-58.60000113.8R65 G77 A78 C91 R92 W101 C103R65-V87 HydrophobicContact CB-CG1 4.44Å; R65-V87 HydrophobicContact CG-CG1 3.6Å; G77-V87 CarbonylContact C-O 3.56Å; G77-V87 WeakPolarHBondContact CA-O 3.25Å; A78-V87 PolarHBondContact N-O 2.96Å; A78-V87 PolarHBondContact O-N 3.5Å; V87-C91 HydrophobicContact CB-CB 3.95Å; V87-R92 HydrophobicContact CG2-CG 3.91Å; V87-R92 PolarHBondContact O-NE 3.15Å; V87-R92 PolarHBondContact O-NH2 3.1Å; V87-W101 HydrophobicContact CG2-CH2 3.73Å; V87-W101 HydrophobicContact CG2-CZ3 3.48Å; V87-W101 VanDerWaalsContact CG2-CZ3 3.48Å; V87-C103 HydrophobicContact CG1-CB 3.91Å; V87-C103 HydrophobicContact CG2-CB 4.1Å
88C92.6Very high87.9Confident4 Ų472.3 Ų72.33%0.02736%0.364CS..  trans-63.9165173.269.80000111.9C63 C66 L70 N75 E90 C91 R92C63-C88 HydrophobicContact CB-CB 4.09Å; C63-C88 PolarHBondContact SG-N 3.22Å; C66-C88 PolarHBondContact SG-SG 3.24Å; L70-C88 HydrophobicContact CD2-CB 3.65Å; N75-C88 WeakPolarHBondContact OD1-CA 3.49Å; N75-C88 WeakPolarHBondContact OD1-CB 3.43Å; C88-E90 VanDerWaalsContact C-N 3.32Å; C88-E90 PolarHBondContact O-N 3.14Å; C88-C91 PolarHBondContact O-N 3.34Å; C88-C91 VanDerWaalsContact O-N 3.1Å; C88-R92 WeakPolarHBondContact O-CG 3.39Å
89S91.6Very high87.5Confident43 Ų4382.9 Ų82.930%0.30140%0.399SS..G310 helixtrans-43.8-53.2176.153.10000113.1N75 C91 R92N75-S89 PolarHBondContact ND2-OG 3.25Å; N75-S89 PolarHBondContact OD1-N 3.44Å; S89-C91 PolarHBondContact O-N 2.85Å; S89-C91 VanDerWaalsContact O-N 3.1Å; S89-R92 WeakPolarHBondContact O-CB 3.34Å; S89-R92 PolarHBondContact O-N 3.39Å
90E92Very high87.3Confident133 Ų13382.1 Ų82.162%0.62140%0.4SS*.G310 helixtrans-62.2-23.2-175-52.3-42110.700113.5C88C88-E90 VanDerWaalsContact C-N 3.32Å; C88-E90 PolarHBondContact O-N 3.14Å
91C92.3Very high87.3Confident11 Ų1184 Ų847%0.07441%0.407CS..G310 helixtrans-95.27.9179.4-70.70000113.1C63 R65 V87 C88 S89 C103 T104C63-C91 VanDerWaalsContact SG-SG 3.7Å; R65-C91 HydrophobicContact CB-CB 3.86Å; R65-C91 HydrophobicContact CG-CB 4.26Å; V87-C91 HydrophobicContact CB-CB 3.95Å; C88-C91 PolarHBondContact O-N 3.34Å; C88-C91 VanDerWaalsContact O-N 3.1Å; S89-C91 PolarHBondContact O-N 2.85Å; S89-C91 VanDerWaalsContact O-N 3.1Å; C91-C103 CarbonylContact O-C 3.53Å; C91-C103 VanDerWaalsContact O-CA 3.23Å; C91-C103 WeakPolarHBondContact O-CA 3.27Å; C91-T104 PolarHBondContact O-N 3.11Å; C91-T104 VanDerWaalsContact O-N 3.1Å
92R93.2Very high87.5Confident62 Ų6279.5 Ų79.523%0.23439%0.385CS..EExtended strand (participates in β ladder)trans-99.8124.3175.1-53.6179.8-162.51648109.9A78 V87 C88 S89 W101A78-R92 VanDerWaalsContact CB-CZ 3.44Å; A78-R92 VanDerWaalsContact N-NH2 3.16Å; V87-R92 HydrophobicContact CG2-CG 3.91Å; V87-R92 PolarHBondContact O-NE 3.15Å; V87-R92 PolarHBondContact O-NH2 3.1Å; C88-R92 WeakPolarHBondContact O-CG 3.39Å; S89-R92 WeakPolarHBondContact O-CB 3.34Å; S89-R92 PolarHBondContact O-N 3.39Å; R92-W101 HydrophobicContact CB-CB 4.45Å; R92-W101 HydrophobicContact CB-CD2 3.97Å; R92-W101 HydrophobicContact CB-CE3 3.58Å; R92-W101 HydrophobicContact CB-CG 4.33Å; R92-W101 HydrophobicContact CB-CZ3 4.21Å; R92-W101 HydrophobicContact CG-CD2 3.94Å; R92-W101 HydrophobicContact CG-CE3 3.51Å; R92-W101 HydrophobicContact CG-CH2 4.2Å; R92-W101 HydrophobicContact CG-CZ3 3.67Å
93V91.5Very high87.8Confident40 Ų4077.2 Ų77.224%0.24236%0.361CS..EExtended strand (participates in β ladder)trans-106.3113.8172.7-167.60000108.6W101 K102 T104 F107V93-W101 VanDerWaalsContact O-CA 3.29Å; V93-W101 WeakPolarHBondContact O-CA 3.25Å; V93-K102 PolarHBondContact N-O 2.72Å; V93-K102 PolarHBondContact O-N 3.19Å; V93-T104 HydrophobicContact CG2-CG2 4.09Å; V93-F107 HydrophobicContact CB-CB 3.96Å; V93-F107 HydrophobicContact CB-CD1 4.14Å; V93-F107 HydrophobicContact CB-CD2 3.88Å; V93-F107 HydrophobicContact CB-CE2 4.42Å; V93-F107 HydrophobicContact CB-CG 3.73Å; V93-F107 HydrophobicContact CG1-CB 4.41Å; V93-F107 HydrophobicContact CG1-CD1 3.75Å; V93-F107 HydrophobicContact CG1-CD2 3.55Å; V93-F107 HydrophobicContact CG1-CE1 3.76Å; V93-F107 HydrophobicContact CG1-CE2 3.58Å; V93-F107 HydrophobicContact CG1-CG 3.63Å; V93-F107 HydrophobicContact CG1-CZ 3.69Å; V93-F107 HydrophobicContact CG2-CB 4.04Å; V93-F107 HydrophobicContact CG2-CD1 4.11Å; V93-F107 HydrophobicContact CG2-CG 4.04Å
94F89.8Confident87.9Confident128 Ų12877.7 Ų77.756%0.56136%0.363SS*.EExtended strand (participates in β ladder)trans-71.1133.7178.5-74.1-89.1000111.3W101F94-W101 HydrophobicContact CD1-CB 3.9Å; F94-W101 HydrophobicContact CE1-CB 4.12Å; F94-W101 HydrophobicContact CE1-CG 4.48Å; F94-W101 HydrophobicContact CG-CB 4.18Å
95L82.8Confident87.9Confident30 Ų3073.4 Ų73.416%0.15733%0.332CS..PPolyproline II helixtrans-78.6130.9174.6-58.3-175.2000108.4R97 T98 A100 F107L95-R97 PolarHBondContact O-N 2.97Å; L95-T98 PolarHBondContact O-N 3.48Å; L95-T98 VanDerWaalsContact O-N 3.09Å; L95-T98 PolarHBondContact O-OG1 2.86Å; L95-A100 WeakPolarHBondContact CB-O 3.32Å; L95-A100 HydrophobicContact CD1-CB 4.48Å; L95-A100 PolarHBondContact N-O 3.14Å; L95-F107 HydrophobicContact CD2-CD2 4.01Å; L95-F107 HydrophobicContact CD2-CE2 4.25Å
96R70.9Confident88Confident120 Ų12070.4 Ų70.445%0.45332%0.32SS..THydrogen-bonded Turntrans-54.4130.5-166.4-66.9-178.3176.3-179.11.4112.8T98 H284 G285R96-T98 PolarHBondContact O-N 2.81Å; R96-H284 PolarHBondContact NH1-ND1 3.22Å; R96-H284 PolarHBondContact NH1-O 2.69Å; R96-G285 PolarHBondContact NH1-O 3.32Å
97R65.1Low88.1Confident246 Ų24667.4 Ų67.493%0.92831%0.311SS*.THydrogen-bonded Turntrans62.212.7179.7-61.1-177.1171-174.8-5.2115.7L95L95-R97 PolarHBondContact O-N 2.97Å
98T75.7Confident88.1Confident79 Ų7969.4 Ų69.449%0.48532%0.32SS..SBendtrans-123.1155.9171.566.70000110.3L95 R96 A100L95-T98 PolarHBondContact O-N 3.48Å; L95-T98 VanDerWaalsContact O-N 3.09Å; L95-T98 PolarHBondContact O-OG1 2.86Å; R96-T98 PolarHBondContact O-N 2.81Å; T98-A100 PolarHBondContact O-N 3.49Å; T98-A100 PolarHBondContact OG1-N 2.76Å
99R83Confident88.1Confident245 Ų24571.2 Ų71.293%0.92533%0.329SS*.SBendtrans-74.1-2.2169.5-65.7-175.4178.7179.60.4112.3
100A89.5Confident88Confident51 Ų5174 Ų7442%0.42133%0.333SS..  trans-75.7141.8176.900000110.9L95 T98L95-A100 WeakPolarHBondContact CB-O 3.32Å; L95-A100 HydrophobicContact CD1-CB 4.48Å; L95-A100 PolarHBondContact N-O 3.14Å; T98-A100 PolarHBondContact O-N 3.49Å; T98-A100 PolarHBondContact OG1-N 2.76Å
101W92.9Very high87.9Confident41 Ų4168.9 Ų68.916%0.15531%0.31CS..EExtended strand (participates in β ladder)trans-138.6158.7-18064.4-89.6000109.8A78 V79 C80 V87 R92 V93 F94A78-W101 HydrophobicContact CB-CH2 4.05Å; A78-W101 HydrophobicContact CB-CZ2 3.51Å; A78-W101 WeakPolarHBondContact O-CH2 3.44Å; V79-W101 VanDerWaalsContact C-CH2 3.44Å; V79-W101 VanDerWaalsContact O-CH2 3.31Å; V79-W101 WeakPolarHBondContact O-CH2 3.34Å; V79-W101 WeakPolarHBondContact O-CZ2 3.5Å; C80-W101 HydrophobicContact CB-CH2 4.05Å; C80-W101 HydrophobicContact CB-CZ3 3.93Å; V87-W101 HydrophobicContact CG2-CH2 3.73Å; V87-W101 HydrophobicContact CG2-CZ3 3.48Å; V87-W101 VanDerWaalsContact CG2-CZ3 3.48Å; R92-W101 HydrophobicContact CB-CB 4.45Å; R92-W101 HydrophobicContact CB-CD2 3.97Å; R92-W101 HydrophobicContact CB-CE3 3.58Å; R92-W101 HydrophobicContact CB-CG 4.33Å; R92-W101 HydrophobicContact CB-CZ3 4.21Å; R92-W101 HydrophobicContact CG-CD2 3.94Å; R92-W101 HydrophobicContact CG-CE3 3.51Å; R92-W101 HydrophobicContact CG-CH2 4.2Å; R92-W101 HydrophobicContact CG-CZ3 3.67Å; V93-W101 VanDerWaalsContact O-CA 3.29Å; V93-W101 WeakPolarHBondContact O-CA 3.25Å; F94-W101 HydrophobicContact CD1-CB 3.9Å; F94-W101 HydrophobicContact CE1-CB 4.12Å; F94-W101 HydrophobicContact CE1-CG 4.48Å; F94-W101 HydrophobicContact CG-CB 4.18Å
102K93.4Very high87.8Confident61 Ų6168.6 Ų68.627%0.26531%0.308SS..EExtended strand (participates in β ladder)trans-131157.8168.2-66.5-154.9179.8-147.70109.8Q81 V93 C106Q81-K102 WeakPolarHBondContact O-CE 3.38Å; Q81-K102 PolarHBondContact O-NZ 3.48Å; V93-K102 PolarHBondContact N-O 2.72Å; V93-K102 PolarHBondContact O-N 3.19Å; K102-C106 HydrophobicContact CB-CB 4Å; K102-C106 HydrophobicContact CD-CB 4.07Å
103C93.3Very high87.7Confident0 Ų068.7 Ų68.70%031%0.31CS..EExtended strand (participates in β ladder)trans-65.5157.4173.3730000111.2R65 C80 V87 C91 V105 C106 F107R65-C103 HydrophobicContact CG-CB 4.23Å; R65-C103 PolarHBondContact NE-SG 3.5Å; R65-C103 PolarHBondContact NH2-SG 3.35Å; R65-C103 VanDerWaalsContact NH2-SG 3.43Å; C80-C103 HydrophobicContact CB-CB 3.96Å; C80-C103 PolarHBondContact SG-N 3.44Å; C80-C103 VanDerWaalsContact SG-SG 3.61Å; V87-C103 HydrophobicContact CG1-CB 3.91Å; V87-C103 HydrophobicContact CG2-CB 4.1Å; C91-C103 CarbonylContact O-C 3.53Å; C91-C103 VanDerWaalsContact O-CA 3.23Å; C91-C103 WeakPolarHBondContact O-CA 3.27Å; C103-V105 VanDerWaalsContact C-N 3.29Å; C103-V105 PolarHBondContact O-N 3.05Å; C103-C106 PolarHBondContact O-N 2.71Å; C103-F107 WeakPolarHBondContact O-CB 3.38Å; C103-F107 PolarHBondContact O-N 2.95Å
104T92.5Very high87.5Confident46 Ų4669.1 Ų69.128%0.28231%0.31SS..Hα-helixtrans-44.3-48.8179.249.80000113.9C91 V93 F107 E108C91-T104 PolarHBondContact O-N 3.11Å; C91-T104 VanDerWaalsContact O-N 3.1Å; V93-T104 HydrophobicContact CG2-CG2 4.09Å; T104-F107 PolarHBondContact O-N 2.87Å; T104-E108 PolarHBondContact O-N 2.92Å
105V92.3Very high87.4Confident10 Ų1068 Ų686%0.06131%0.305CS..Hα-helixtrans-64-45.3178.4169.80000112.6L46 R47 C103 F107 E108 D109L46-V105 HydrophobicContact CB-CG2 4.44Å; L46-V105 WeakPolarHBondContact O-CG2 3.47Å; R47-V105 HydrophobicContact CG-CG1 3.62Å; C103-V105 VanDerWaalsContact C-N 3.29Å; C103-V105 PolarHBondContact O-N 3.05Å; V105-F107 VanDerWaalsContact C-N 3.28Å; V105-F107 PolarHBondContact O-N 3.24Å; V105-E108 PolarHBondContact O-N 3.04Å; V105-D109 VanDerWaalsContact O-CB 3.26Å; V105-D109 WeakPolarHBondContact O-CB 3.25Å; V105-D109 PolarHBondContact O-N 3.21Å
106C92.6Very high87.8Confident16 Ų1667.3 Ų67.311%0.10830%0.303CS..Hα-helixtrans-71.1-25.1178.1-69.20000113C83 K102 C103 R110C83-C106 VanDerWaalsContact CB-SG 3.54Å; C83-C106 PolarHBondContact SG-SG 3.23Å; K102-C106 HydrophobicContact CB-CB 4Å; K102-C106 HydrophobicContact CD-CB 4.07Å; C103-C106 PolarHBondContact O-N 2.71Å; C106-R110 PolarHBondContact O-N 2.77Å
107F93.1Very high88.5Confident50 Ų5062.6 Ų62.622%0.21929%0.291CS..Hα-helixtrans-72.1-48.2172.6179.1-99.9000110.8V93 L95 C103 T104 V105 R110 N111V93-F107 HydrophobicContact CB-CB 3.96Å; V93-F107 HydrophobicContact CB-CD1 4.14Å; V93-F107 HydrophobicContact CB-CD2 3.88Å; V93-F107 HydrophobicContact CB-CE2 4.42Å; V93-F107 HydrophobicContact CB-CG 3.73Å; V93-F107 HydrophobicContact CG1-CB 4.41Å; V93-F107 HydrophobicContact CG1-CD1 3.75Å; V93-F107 HydrophobicContact CG1-CD2 3.55Å; V93-F107 HydrophobicContact CG1-CE1 3.76Å; V93-F107 HydrophobicContact CG1-CE2 3.58Å; V93-F107 HydrophobicContact CG1-CG 3.63Å; V93-F107 HydrophobicContact CG1-CZ 3.69Å; V93-F107 HydrophobicContact CG2-CB 4.04Å; V93-F107 HydrophobicContact CG2-CD1 4.11Å; V93-F107 HydrophobicContact CG2-CG 4.04Å; L95-F107 HydrophobicContact CD2-CD2 4.01Å; L95-F107 HydrophobicContact CD2-CE2 4.25Å; C103-F107 WeakPolarHBondContact O-CB 3.38Å; C103-F107 PolarHBondContact O-N 2.95Å; T104-F107 PolarHBondContact O-N 2.87Å; V105-F107 VanDerWaalsContact C-N 3.28Å; V105-F107 PolarHBondContact O-N 3.24Å; F107-R110 PolarHBondContact O-N 3.45Å; F107-N111 WeakPolarHBondContact CD1-ND2 3.42Å; F107-N111 WeakPolarHBondContact CE1-ND2 3.49Å; F107-N111 WeakPolarHBondContact CZ-ND2 3.47Å; F107-N111 VanDerWaalsContact O-CG 3.31Å; F107-N111 PolarHBondContact O-N 3.24Å; F107-N111 PolarHBondContact O-ND2 3.48Å
108E91.1Very high89.5Confident42 Ų4252.3 Ų52.320%0.19625%0.253CS..Hα-helixtrans-70-32.1176.2-77.2-52.7116.700113.3L43 L46 T104 V105 R110 N111 V112 K115L43-E108 HydrophobicContact CD1-CB 4.11Å; L46-E108 HydrophobicContact CD1-CB 3.9Å; L46-E108 HydrophobicContact CD1-CG 3.78Å; T104-E108 PolarHBondContact O-N 2.92Å; V105-E108 PolarHBondContact O-N 3.04Å; E108-R110 PolarHBondContact O-N 3.06Å; E108-N111 CarbonylContact O-C 3.58Å; E108-N111 PolarHBondContact O-N 3.38Å; E108-N111 VanDerWaalsContact O-N 3.15Å; E108-N111 PolarHBondContact OE1-ND2 2.9Å; E108-V112 WeakPolarHBondContact O-CG2 3.13Å; E108-V112 PolarHBondContact O-N 3.48Å; E108-K115 IonicContact OE2-NZ 3.29Å
109D91.5Very high90Very high41 Ų4154.5 Ų54.522%0.21925%0.253CS..Hα-helixtrans-56.5-50.6171.1-172.390.6000111.2L43 R47 V105 N111 V112 K113L43-D109 HydrophobicContact CD1-CB 4.17Å; L43-D109 HydrophobicContact CD2-CB 4.28Å; R47-D109 IonicContact CZ-OD1 3.85Å; R47-D109 IonicContact NH2-OD1 3.33Å; R47-D109 PolarHBondContact NH2-OD1 2.79Å; V105-D109 VanDerWaalsContact O-CB 3.26Å; V105-D109 WeakPolarHBondContact O-CB 3.25Å; V105-D109 PolarHBondContact O-N 3.21Å; D109-N111 VanDerWaalsContact C-N 3.34Å; D109-N111 PolarHBondContact O-N 3.31Å; D109-V112 PolarHBondContact O-N 2.97Å; D109-K113 WeakPolarHBondContact O-CG 3.45Å; D109-K113 PolarHBondContact O-N 3.32Å
110R90.3Very high90Very high103 Ų10347.9 Ų47.939%0.38923%0.231SC..Hα-helixtrans-59.4-43.5173.3-175.9-174.8179-149.3-0.3111.7C106 F107 E108 V112 K113 I114C106-R110 PolarHBondContact O-N 2.77Å; F107-R110 PolarHBondContact O-N 3.45Å; E108-R110 PolarHBondContact O-N 3.06Å; R110-V112 VanDerWaalsContact C-N 3.34Å; R110-V112 PolarHBondContact O-N 3Å; R110-K113 PolarHBondContact O-N 3.09Å; R110-I114 HydrophobicContact CG-CD1 3.99Å; R110-I114 VanDerWaalsContact O-CG1 3.3Å; R110-I114 WeakPolarHBondContact O-CG1 3.37Å; R110-I114 PolarHBondContact O-N 2.81Å
111N90.1Very high89.6Confident25 Ų2551.6 Ų51.613%0.13424%0.238CC..Hα-helixtrans-65.1-37.3179.1-71.4-22.2000112.2F107 E108 D109 I114 K115F107-N111 WeakPolarHBondContact CD1-ND2 3.42Å; F107-N111 WeakPolarHBondContact CE1-ND2 3.49Å; F107-N111 WeakPolarHBondContact CZ-ND2 3.47Å; F107-N111 VanDerWaalsContact O-CG 3.31Å; F107-N111 PolarHBondContact O-N 3.24Å; F107-N111 PolarHBondContact O-ND2 3.48Å; E108-N111 CarbonylContact O-C 3.58Å; E108-N111 PolarHBondContact O-N 3.38Å; E108-N111 VanDerWaalsContact O-N 3.15Å; E108-N111 PolarHBondContact OE1-ND2 2.9Å; D109-N111 VanDerWaalsContact C-N 3.34Å; D109-N111 PolarHBondContact O-N 3.31Å; N111-I114 PolarHBondContact O-N 2.82Å; N111-K115 VanDerWaalsContact O-CB 3.26Å; N111-K115 WeakPolarHBondContact O-CB 3.23Å; N111-K115 WeakPolarHBondContact O-CD 3.05Å; N111-K115 WeakPolarHBondContact O-CG 3.39Å; N111-K115 PolarHBondContact O-N 3.08Å
112V89.7Confident89.1Confident5 Ų554.3 Ų54.33%0.0325%0.252CS..Hα-helixtrans-65.3-48.3173.9170.70000110L39 K40 L43 E108 D109 R110 I114 K115 T116L39-V112 HydrophobicContact CB-CG1 4.4Å; L39-V112 HydrophobicContact CB-CG2 4.33Å; K40-V112 HydrophobicContact CG-CG1 4.22Å; L43-V112 HydrophobicContact CB-CG2 4.21Å; L43-V112 HydrophobicContact CD2-CB 4.22Å; L43-V112 HydrophobicContact CD2-CG1 4.43Å; L43-V112 HydrophobicContact CD2-CG2 4.21Å; E108-V112 WeakPolarHBondContact O-CG2 3.13Å; E108-V112 PolarHBondContact O-N 3.48Å; D109-V112 PolarHBondContact O-N 2.97Å; R110-V112 VanDerWaalsContact C-N 3.34Å; R110-V112 PolarHBondContact O-N 3Å; V112-I114 PolarHBondContact O-N 3.49Å; V112-I114 VanDerWaalsContact O-N 3.17Å; V112-K115 PolarHBondContact O-N 3.22Å; V112-T116 HydrophobicContact CG1-CG2 3.94Å; V112-T116 WeakPolarHBondContact O-CB 3.3Å; V112-T116 VanDerWaalsContact O-CG2 3.26Å; V112-T116 WeakPolarHBondContact O-CG2 3.49Å; V112-T116 PolarHBondContact O-N 2.82Å; V112-T116 PolarHBondContact O-OG1 2.9Å
113K89.8Confident88.5Confident63 Ų6354.4 Ų54.427%0.27425%0.254SS..Hα-helixtrans-55.5-35.2175.9-70.3-169.2-179.9-148.80113.3D109 R110 G117 E118 W119 E122D109-K113 WeakPolarHBondContact O-CG 3.45Å; D109-K113 PolarHBondContact O-N 3.32Å; R110-K113 PolarHBondContact O-N 3.09Å; K113-G117 CarbonylContact O-C 3.58Å; K113-G117 PolarHBondContact O-N 3.01Å; K113-E118 PolarHBondContact O-N 3.34Å; K113-W119 PolarHBondContact O-N 3.35Å; K113-E122 WeakPolarHBondContact CE-OE1 3.28Å; K113-E122 IonicContact NZ-OE1 2.86Å; K113-E122 PolarHBondContact NZ-OE1 3.26Å; K113-E122 IonicContact NZ-OE2 2.71Å; K113-E122 PolarHBondContact NZ-OE2 2.95Å
114I88.3Confident87.9Confident50 Ų5060.6 Ų60.626%0.25628%0.277SS..Hα-helixtrans-76.5-48.5177-66.2174.5000111.4R110 N111 V112 T116 G117 L287R110-I114 HydrophobicContact CG-CD1 3.99Å; R110-I114 VanDerWaalsContact O-CG1 3.3Å; R110-I114 WeakPolarHBondContact O-CG1 3.37Å; R110-I114 PolarHBondContact O-N 2.81Å; N111-I114 PolarHBondContact O-N 2.82Å; V112-I114 PolarHBondContact O-N 3.49Å; V112-I114 VanDerWaalsContact O-N 3.17Å; I114-T116 PolarHBondContact O-N 3.43Å; I114-G117 PolarHBondContact O-N 2.89Å; I114-L287 HydrophobicContact CD1-CD1 3.59Å; I114-L287 HydrophobicContact CD1-CD2 4.46Å; I114-L287 HydrophobicContact CG2-CD1 4.29Å; I114-L287 HydrophobicContact CG2-CD2 3.9Å
115K88.6Confident87.3Confident103 Ų10361 Ų6145%0.44829%0.285SS..Hα-helixtrans-65.7-19.6179.4-72.8168.3-176.6168.50114R35 L39 E108 N111 V112R35-K115 PolarHBondContact NH1-O 3.03Å; R35-K115 PolarHBondContact NH2-O 2.88Å; L39-K115 HydrophobicContact CD1-CB 3.88Å; L39-K115 HydrophobicContact CD1-CD 4.47Å; L39-K115 HydrophobicContact CD2-CD 4.03Å; E108-K115 IonicContact OE2-NZ 3.29Å; N111-K115 VanDerWaalsContact O-CB 3.26Å; N111-K115 WeakPolarHBondContact O-CB 3.23Å; N111-K115 WeakPolarHBondContact O-CD 3.05Å; N111-K115 WeakPolarHBondContact O-CG 3.39Å; N111-K115 PolarHBondContact O-N 3.08Å; V112-K115 PolarHBondContact O-N 3.22Å
116T89.5Confident86.9Confident17 Ų1769.2 Ų69.210%0.10432%0.315CS..THydrogen-bonded Turntrans-106.5-5.1-179.559.10000113.1V36 L39 V112 I114 E118V36-T116 HydrophobicContact CB-CG2 4.38Å; V36-T116 HydrophobicContact CG1-CG2 4.08Å; V36-T116 HydrophobicContact CG2-CG2 3.94Å; L39-T116 HydrophobicContact CD1-CG2 3.87Å; V112-T116 HydrophobicContact CG1-CG2 3.94Å; V112-T116 WeakPolarHBondContact O-CB 3.3Å; V112-T116 VanDerWaalsContact O-CG2 3.26Å; V112-T116 WeakPolarHBondContact O-CG2 3.49Å; V112-T116 PolarHBondContact O-N 2.82Å; V112-T116 PolarHBondContact O-OG1 2.9Å; I114-T116 PolarHBondContact O-N 3.43Å; T116-E118 PolarHBondContact O-N 3.09Å; T116-E118 WeakPolarHBondContact OG1-CG 3.42Å
117G87Confident86.3Confident20 Ų2075 Ų7521%0.20634%0.339CS..SBendtrans713-173.800000114.9K113 I114 W119 F120 F121K113-G117 CarbonylContact O-C 3.58Å; K113-G117 PolarHBondContact O-N 3.01Å; I114-G117 PolarHBondContact O-N 2.89Å; G117-W119 PolarHBondContact O-N 3.47Å; G117-W119 VanDerWaalsContact O-N 3.09Å; G117-F120 WeakPolarHBondContact O-CB 3.47Å; G117-F120 PolarHBondContact O-N 2.87Å; G117-F121 VanDerWaalsContact O-CD2 3.27Å; G117-F121 WeakPolarHBondContact O-CD2 3.35Å; G117-F121 PolarHBondContact O-N 2.67Å
118E85.9Confident85.6Confident30 Ų3078.3 Ų78.314%0.1435%0.353CS..Hα-helixtrans-56-30-179.1-74.7-170.813900113K40 K113 T116 F120 F121 E122 R134K40-E118 VanDerWaalsContact CE-OE2 3.28Å; K40-E118 WeakPolarHBondContact CE-OE2 3.3Å; K40-E118 VanDerWaalsContact NZ-CD 3.32Å; K40-E118 IonicContact NZ-OE1 2.68Å; K40-E118 PolarHBondContact NZ-OE1 3.47Å; K40-E118 IonicContact NZ-OE2 3.77Å; K40-E118 PolarHBondContact NZ-OE2 3.06Å; K113-E118 PolarHBondContact O-N 3.34Å; T116-E118 PolarHBondContact O-N 3.09Å; T116-E118 WeakPolarHBondContact OG1-CG 3.42Å; E118-F120 VanDerWaalsContact C-N 3.29Å; E118-F120 PolarHBondContact O-N 2.87Å; E118-F121 PolarHBondContact O-N 3.02Å; E118-E122 WeakPolarHBondContact O-CB 3.4Å; E118-E122 VanDerWaalsContact O-CG 3.32Å; E118-E122 WeakPolarHBondContact O-CG 3.37Å; E118-E122 PolarHBondContact O-N 2.97Å; E118-R134 IonicContact OE1-NH2 3.56Å; E118-R134 PolarHBondContact OE1-NH2 2.87Å
119W85.2Confident84.8Confident126 Ų12681.5 Ų81.548%0.47738%0.378SS..Hα-helixtrans-58.3-36.617378-84.3000113.7K113 G117 E123K113-W119 PolarHBondContact O-N 3.35Å; G117-W119 PolarHBondContact O-N 3.47Å; G117-W119 VanDerWaalsContact O-N 3.09Å; W119-E123 WeakPolarHBondContact O-CB 3.39Å; W119-E123 PolarHBondContact O-N 3.33Å
120F84.2Confident83.5Confident105 Ų10586.2 Ų86.246%0.46141%0.408SS..Hα-helixtrans-73.4-37.6179.3172.2-97.1000111G117 E118 R124G117-F120 WeakPolarHBondContact O-CB 3.47Å; G117-F120 PolarHBondContact O-N 2.87Å; E118-F120 VanDerWaalsContact C-N 3.29Å; E118-F120 PolarHBondContact O-N 2.87Å; F120-R124 VanDerWaalsContact O-CB 3.28Å; F120-R124 WeakPolarHBondContact O-CB 3.48Å; F120-R124 PolarHBondContact O-N 2.89Å
121F80Confident81.8Confident130 Ų13084 Ų8457%0.5741%0.412SS*.Hα-helixtrans-72.5-36.7176.3-63.1-71.2000112.3G117 E118 R124 A125G117-F121 VanDerWaalsContact O-CD2 3.27Å; G117-F121 WeakPolarHBondContact O-CD2 3.35Å; G117-F121 PolarHBondContact O-N 2.67Å; E118-F121 PolarHBondContact O-N 3.02Å; F121-R124 PolarHBondContact O-N 3.27Å; F121-A125 VanDerWaalsContact O-CB 3.26Å; F121-A125 WeakPolarHBondContact O-CB 3.43Å; F121-A125 PolarHBondContact O-N 3.49Å
122E82.6Confident80.1Confident97 Ų9786.1 Ų86.145%0.45344%0.439SS..Hα-helixtrans-60.2-47.1170.6-74.1174.5177.400110.8K113 E118 A125 R126K113-E122 WeakPolarHBondContact CE-OE1 3.28Å; K113-E122 IonicContact NZ-OE1 2.86Å; K113-E122 PolarHBondContact NZ-OE1 3.26Å; K113-E122 IonicContact NZ-OE2 2.71Å; K113-E122 PolarHBondContact NZ-OE2 2.95Å; E118-E122 WeakPolarHBondContact O-CB 3.4Å; E118-E122 VanDerWaalsContact O-CG 3.32Å; E118-E122 WeakPolarHBondContact O-CG 3.37Å; E118-E122 PolarHBondContact O-N 2.97Å; E122-A125 PolarHBondContact O-N 2.84Å; E122-R126 PolarHBondContact O-N 2.92Å; E122-R126 VanDerWaalsContact O-N 3.07Å
123E82Confident78.6Confident64 Ų6495.4 Ų95.430%0.29947%0.474SS..Hα-helixtrans-67.5-38.8177.9-171.258.8-143.700112.6W119 R126 K127W119-E123 WeakPolarHBondContact O-CB 3.39Å; W119-E123 PolarHBondContact O-N 3.33Å; E123-R126 VanDerWaalsContact CD-NH2 3.33Å; E123-R126 PolarHBondContact O-N 3.14Å; E123-R126 IonicContact OE1-CZ 2.71Å; E123-R126 IonicContact OE1-NE 3.07Å; E123-R126 PolarHBondContact OE1-NE 3.25Å; E123-R126 IonicContact OE1-NH2 2.77Å; E123-R126 PolarHBondContact OE1-NH2 2.93Å; E123-R126 IonicContact OE2-CZ 3.62Å; E123-R126 IonicContact OE2-NE 3.06Å; E123-R126 IonicContact OE2-NH2 3.69Å; E123-R126 PolarHBondContact OE2-NH2 2.88Å; E123-R126 VanDerWaalsContact OE2-NH2 3.11Å; E123-K127 PolarHBondContact O-N 3.49Å; E123-K127 WeakPolarHBondContact OE1-CE 3.41Å
124R79.1Confident77.3Confident129 Ų129101.3 Ų101.349%0.48749%0.494SS..Hα-helixtrans-65.6-42.4174.7-175.1-178.8173.51111.1111.6F120 F121 R126 K127 F128F120-R124 VanDerWaalsContact O-CB 3.28Å; F120-R124 WeakPolarHBondContact O-CB 3.48Å; F120-R124 PolarHBondContact O-N 2.89Å; F121-R124 PolarHBondContact O-N 3.27Å; R124-R126 VanDerWaalsContact C-N 3.28Å; R124-R126 PolarHBondContact O-N 2.91Å; R124-K127 PolarHBondContact O-N 3.01Å; R124-F128 HydrophobicContact CG-CD2 4.07Å; R124-F128 PolarHBondContact O-N 3.39Å
125A80.2Confident76.3Confident56 Ų56102.6 Ų102.646%0.46350%0.499SS..Hα-helixtrans-64.6-33177.300000112.1F121 E122 F128 P129F121-A125 VanDerWaalsContact O-CB 3.26Å; F121-A125 WeakPolarHBondContact O-CB 3.43Å; F121-A125 PolarHBondContact O-N 3.49Å; E122-A125 PolarHBondContact O-N 2.84Å; A125-F128 CarbonylContact O-C 3.56Å; A125-P129 WeakPolarHBondContact O-CA 3.49Å
126R83.3Confident75.9Confident181 Ų181100.5 Ų100.568%0.68350%0.495SS*.Hα-helixtrans-65.9-37.5172.4-172.3172.271.9140.9-0.2112.9E122 E123 R124E122-R126 PolarHBondContact O-N 2.92Å; E122-R126 VanDerWaalsContact O-N 3.07Å; E123-R126 VanDerWaalsContact CD-NH2 3.33Å; E123-R126 PolarHBondContact O-N 3.14Å; E123-R126 IonicContact OE1-CZ 2.71Å; E123-R126 IonicContact OE1-NE 3.07Å; E123-R126 PolarHBondContact OE1-NE 3.25Å; E123-R126 IonicContact OE1-NH2 2.77Å; E123-R126 PolarHBondContact OE1-NH2 2.93Å; E123-R126 IonicContact OE2-CZ 3.62Å; E123-R126 IonicContact OE2-NE 3.06Å; E123-R126 IonicContact OE2-NH2 3.69Å; E123-R126 PolarHBondContact OE2-NH2 2.88Å; E123-R126 VanDerWaalsContact OE2-NH2 3.11Å; R124-R126 VanDerWaalsContact C-N 3.28Å; R124-R126 PolarHBondContact O-N 2.91Å
127K81.6Confident75.5Confident139 Ų139103.2 Ų103.260%0.60452%0.519SS*.Hα-helixtrans-82.5-30.3178.5-68.9-173.7178.5-170.90114E123 R124E123-K127 PolarHBondContact O-N 3.49Å; E123-K127 WeakPolarHBondContact OE1-CE 3.41Å; R124-K127 PolarHBondContact O-N 3.01Å
128F78.6Confident75.3Confident118 Ų118103 Ų10352%0.51852%0.517SS..  trans-135.776.4-175.6-55.8-77.8000110.1R124 A125 T130 A131R124-F128 HydrophobicContact CG-CD2 4.07Å; R124-F128 PolarHBondContact O-N 3.39Å; A125-F128 CarbonylContact O-C 3.56Å; F128-T130 PolarHBondContact O-N 3.1Å; F128-A131 HydrophobicContact CB-CB 4.26Å; F128-A131 WeakPolarHBondContact O-CB 3.39Å; F128-A131 PolarHBondContact O-N 2.91Å; F128-A131 VanDerWaalsContact O-N 3.15Å
129P73.9Confident75.3Confident110 Ų110103 Ų10371%0.71452%0.522SS*.THydrogen-bonded Turntrans-61.6-27.7-174.5-23.934.9000113.9A125 A131A125-P129 WeakPolarHBondContact O-CA 3.49Å; P129-A131 VanDerWaalsContact C-N 3.29Å; P129-A131 PolarHBondContact O-N 3.39Å
130T63.3Low75.2Confident140 Ų140102 Ų10286%0.85952%0.521SS*.THydrogen-bonded Turntrans-80.2-2.3-179.348.60000114.1F128 G132F128-T130 PolarHBondContact O-N 3.1Å; T130-G132 PolarHBondContact O-N 3.44Å
131A56Low75.3Confident56 Ų5699 Ų9946%0.46351%0.51SS..  trans-73.287177.100000111.4F128 P129F128-A131 HydrophobicContact CB-CB 4.26Å; F128-A131 WeakPolarHBondContact O-CB 3.39Å; F128-A131 PolarHBondContact O-N 2.91Å; F128-A131 VanDerWaalsContact O-N 3.15Å; P129-A131 VanDerWaalsContact C-N 3.29Å; P129-A131 PolarHBondContact O-N 3.39Å
132G54Low75.6Confident69 Ų6993 Ų9371%0.71148%0.484SS*.  trans-59157.718000000115.1T130T130-G132 PolarHBondContact O-N 3.44Å
133R57.7Low75.6Confident201 Ų20193.3 Ų93.376%0.75849%0.485SS*.  trans4.1140.1173.4-158.1-179.5-79.1-163.90.7119.5E135R133-E135 WeakPolarHBondContact CD-OE1 3.48Å; R133-E135 IonicContact NH1-OE1 3.52Å; R133-E135 PolarHBondContact O-N 3.42Å
134R62.3Low75.7Confident186 Ų18692.6 Ų92.670%0.70249%0.487SS*.SBendtrans-49.8-2.6-176.6-68.4179.6170.9-172.3-9119.3E118 T136E118-R134 IonicContact OE1-NH2 3.56Å; E118-R134 PolarHBondContact OE1-NH2 2.87Å; R134-T136 PolarHBondContact O-N 2.89Å
135E68.4Low75.8Confident78 Ų7888 Ų8836%0.36447%0.47SS..  trans-69.6119.6-174.2-74.3150.2-153.600111.1R133 K140R133-E135 WeakPolarHBondContact CD-OE1 3.48Å; R133-E135 IonicContact NH1-OE1 3.52Å; R133-E135 PolarHBondContact O-N 3.42Å; E135-K140 HydrophobicContact CB-CG 4.05Å; E135-K140 WeakPolarHBondContact OE2-CE 3.49Å
136T79.4Confident75.9Confident59 Ų5989.6 Ų89.636%0.36247%0.468SS..  trans-69.9156.4171.764.60000110.1Q29 R134 G138 A139 K140Q29-T136 PolarHBondContact NE2-OG1 3.25Å; R134-T136 PolarHBondContact O-N 2.89Å; T136-G138 PolarHBondContact O-N 2.97Å; T136-A139 WeakPolarHBondContact O-CB 3.35Å; T136-A139 PolarHBondContact O-N 2.89Å; T136-A139 PolarHBondContact OG1-N 3.33Å; T136-K140 PolarHBondContact O-N 3.04Å; T136-K140 VanDerWaalsContact O-N 3.11Å
137A81.5Confident75.6Confident74 Ų7490.2 Ų90.261%0.61247%0.47SS*.Hα-helixtrans-55.4-37.2175.100000111.9K140 L141A137-K140 PolarHBondContact O-N 3.01Å; A137-L141 WeakPolarHBondContact O-CB 3.4Å; A137-L141 WeakPolarHBondContact O-CG 3.47Å; A137-L141 PolarHBondContact O-N 3.01Å
138G83.1Confident75Confident15 Ų1587.5 Ų87.516%0.15546%0.462CS..Hα-helixtrans-64.1-40.3174.800000113.8L22 T136 K140 L141 L142L22-G138 VanDerWaalsContact CD2-CA 3.46Å; T136-G138 PolarHBondContact O-N 2.97Å; G138-K140 PolarHBondContact O-N 3.22Å; G138-L141 PolarHBondContact O-N 2.79Å; G138-L142 WeakPolarHBondContact O-CB 3.08Å; G138-L142 PolarHBondContact O-N 2.82Å
139A84.1Confident74.1Confident31 Ų3182.7 Ų82.726%0.25644%0.443SS..Hα-helixtrans-63.3-41.2174.900000111.9T136 Q143T136-A139 WeakPolarHBondContact O-CB 3.35Å; T136-A139 PolarHBondContact O-N 2.89Å; T136-A139 PolarHBondContact OG1-N 3.33Å; A139-Q143 VanDerWaalsContact O-CB 3.31Å; A139-Q143 WeakPolarHBondContact O-CB 3.4Å; A139-Q143 PolarHBondContact O-N 3.33Å
140K84.9Confident73.1Confident104 Ų10487.4 Ų87.445%0.45245%0.452SS..Hα-helixtrans-65.8-46.1176.5-64.8-171.4177.1-168.50112.5E135 T136 A137 G138 L142 Q143 S144E135-K140 HydrophobicContact CB-CG 4.05Å; E135-K140 WeakPolarHBondContact OE2-CE 3.49Å; T136-K140 PolarHBondContact O-N 3.04Å; T136-K140 VanDerWaalsContact O-N 3.11Å; A137-K140 PolarHBondContact O-N 3.01Å; G138-K140 PolarHBondContact O-N 3.22Å; K140-L142 PolarHBondContact O-N 3.1Å; K140-Q143 PolarHBondContact O-N 2.88Å; K140-S144 WeakPolarHBondContact O-CB 3.35Å; K140-S144 PolarHBondContact O-N 2.99Å
141L85.7Confident72.3Confident42 Ų4286.5 Ų86.522%0.2244%0.441CS..Hα-helixtrans-55.1-50.8174.3-86.4159.4000111.5V5 L7 L22 A137 G138 Q143 S144 Y145V5-L141 HydrophobicContact CB-CD2 4.11Å; V5-L141 HydrophobicContact CG1-CD2 4.14Å; V5-L141 WeakPolarHBondContact O-CD2 3.39Å; L7-L141 HydrophobicContact CD1-CB 4.16Å; L7-L141 HydrophobicContact CD1-CD2 4.06Å; L7-L141 HydrophobicContact CD2-CD2 4.44Å; L7-L141 HydrophobicContact CG-CD2 3.97Å; L22-L141 HydrophobicContact CD1-CB 3.93Å; L22-L141 HydrophobicContact CD2-CB 4.35Å; A137-L141 WeakPolarHBondContact O-CB 3.4Å; A137-L141 WeakPolarHBondContact O-CG 3.47Å; A137-L141 PolarHBondContact O-N 3.01Å; G138-L141 PolarHBondContact O-N 2.79Å; L141-Q143 PolarHBondContact O-N 3.3Å; L141-S144 PolarHBondContact O-N 3.22Å; L141-Y145 PolarHBondContact O-N 2.93Å
142L85.5Confident71.7Confident5 Ų588.5 Ų88.53%0.02645%0.451CS..Hα-helixtrans-64.6-40.3-179.6-170.263.3000111.9L19 L22 Y23 Q26 G138 K140 Y145 Q146L19-L142 HydrophobicContact CD2-CD1 4.28Å; L22-L142 HydrophobicContact CB-CB 4.41Å; L22-L142 HydrophobicContact CB-CD1 4.14Å; L22-L142 HydrophobicContact CD1-CB 4.41Å; Y23-L142 HydrophobicContact CD1-CD1 4.23Å; Y23-L142 HydrophobicContact CD1-CD2 4.18Å; Y23-L142 HydrophobicContact CE1-CD1 3.83Å; Y23-L142 HydrophobicContact CE1-CD2 4.25Å; Y23-L142 HydrophobicContact CE2-CD1 4.36Å; Q26-L142 HydrophobicContact CB-CD2 4.11Å; Q26-L142 HydrophobicContact CG-CD2 4.29Å; G138-L142 WeakPolarHBondContact O-CB 3.08Å; G138-L142 PolarHBondContact O-N 2.82Å; K140-L142 PolarHBondContact O-N 3.1Å; L142-Y145 PolarHBondContact O-N 3.34Å; L142-Q146 WeakPolarHBondContact O-CB 3.45Å; L142-Q146 VanDerWaalsContact O-CG 3.23Å; L142-Q146 WeakPolarHBondContact O-CG 3.31Å; L142-Q146 PolarHBondContact O-N 3.34Å
143Q83.7Confident71.2Confident103 Ų10390.1 Ų90.148%0.48145%0.447SS..Hα-helixtrans-67.5-35.9176.7-171.2177.525.900112.7A139 K140 L141 R147A139-Q143 VanDerWaalsContact O-CB 3.31Å; A139-Q143 WeakPolarHBondContact O-CB 3.4Å; A139-Q143 PolarHBondContact O-N 3.33Å; K140-Q143 PolarHBondContact O-N 2.88Å; L141-Q143 PolarHBondContact O-N 3.3Å; Q143-R147 WeakPolarHBondContact O-CB 3.28Å; Q143-R147 PolarHBondContact O-N 2.9Å; Q143-R147 VanDerWaalsContact O-N 3.14Å
144S83.1Confident70.5Confident49 Ų4985.3 Ų85.334%0.34344%0.44SS..Hα-helixtrans-64.3-51.3174-168.30000110.6K140 L141 Q146 R147 L148K140-S144 WeakPolarHBondContact O-CB 3.35Å; K140-S144 PolarHBondContact O-N 2.99Å; L141-S144 PolarHBondContact O-N 3.22Å; S144-Q146 VanDerWaalsContact C-N 3.34Å; S144-Q146 PolarHBondContact O-N 3.34Å; S144-R147 WeakPolarHBondContact O-CA 3.2Å; S144-R147 WeakPolarHBondContact O-CB 3.34Å; S144-R147 PolarHBondContact O-N 3.33Å; S144-L148 WeakPolarHBondContact O-CG 3.33Å; S144-L148 PolarHBondContact O-N 3.11Å
145Y82.7Confident69.7Low32 Ų3281.2 Ų81.213%0.12544%0.437CS..Hα-helixtrans-60-40.8177.5179.6-103.1000113L7 L19 L141 L142 R147 L148 S149L7-Y145 HydrophobicContact CB-CD2 3.84Å; L7-Y145 HydrophobicContact CB-CG 4.34Å; L7-Y145 HydrophobicContact CD1-CG 4.21Å; L19-Y145 HydrophobicContact CD1-CD1 4.32Å; L19-Y145 HydrophobicContact CD1-CE1 3.61Å; L19-Y145 HydrophobicContact CD1-CE2 4.32Å; L19-Y145 HydrophobicContact CD2-CD1 3.4Å; L19-Y145 VanDerWaalsContact CD2-CD1 3.4Å; L19-Y145 HydrophobicContact CD2-CE1 3.56Å; L19-Y145 HydrophobicContact CD2-CG 3.93Å; L19-Y145 HydrophobicContact CG-CD1 4.5Å; L19-Y145 HydrophobicContact CG-CE1 4.25Å; L141-Y145 PolarHBondContact O-N 2.93Å; L142-Y145 PolarHBondContact O-N 3.34Å; Y145-R147 PolarHBondContact O-N 3.48Å; Y145-L148 PolarHBondContact O-N 3.01Å; Y145-S149 WeakPolarHBondContact O-CB 3.41Å; Y145-S149 PolarHBondContact O-N 3.43Å; Y145-S149 PolarHBondContact O-OG 3.06Å
146Q81.1Confident68.5Low89 Ų8983.5 Ų83.542%0.41646%0.459SS..Hα-helixtrans-69.3-15.2175-74.5175.1-10.800114.1L142 S144L142-Q146 WeakPolarHBondContact O-CB 3.45Å; L142-Q146 VanDerWaalsContact O-CG 3.23Å; L142-Q146 WeakPolarHBondContact O-CG 3.31Å; L142-Q146 PolarHBondContact O-N 3.34Å; S144-Q146 VanDerWaalsContact C-N 3.34Å; S144-Q146 PolarHBondContact O-N 3.34Å
147R78.1Confident66.6Low195 Ų19586.2 Ų86.274%0.73648%0.476SS*.Hα-helixtrans-90-36.8173.4-176.4-176.1-73.1169-4.2111.7Q143 S144 Y145Q143-R147 WeakPolarHBondContact O-CB 3.28Å; Q143-R147 PolarHBondContact O-N 2.9Å; Q143-R147 VanDerWaalsContact O-N 3.14Å; S144-R147 WeakPolarHBondContact O-CA 3.2Å; S144-R147 WeakPolarHBondContact O-CB 3.34Å; S144-R147 PolarHBondContact O-N 3.33Å; Y145-R147 PolarHBondContact O-N 3.48Å
148L69Low64.8Low82 Ų8287.4 Ų87.443%0.42948%0.477SS..Hα-helixtrans-74.2-49.5177.8-66.2171.3000111.1D6 E8 S144 Y145 K150D6-L148 WeakPolarHBondContact OD1-CD1 3.39Å; E8-L148 HydrophobicContact CG-CD1 4.46Å; E8-L148 WeakPolarHBondContact OE1-CB 3.41Å; S144-L148 WeakPolarHBondContact O-CG 3.33Å; S144-L148 PolarHBondContact O-N 3.11Å; Y145-L148 PolarHBondContact O-N 3.01Å; L148-K150 PolarHBondContact O-N 3.18Å
149S59.2Low63.1Low17 Ų1792 Ų9212%0.11950%0.504CS..  trans-67.9106.217061.80000110.1Y145 I151Y145-S149 WeakPolarHBondContact O-CB 3.41Å; Y145-S149 PolarHBondContact O-N 3.43Å; Y145-S149 PolarHBondContact O-OG 3.06Å; S149-I151 PolarHBondContact O-N 3.48Å
150K52.4Low61.6Low209 Ų20996.1 Ų96.191%0.90953%0.529SS*.  trans-6415.4166.9-72.5-178.9176.1175.50113.4L148 S152L148-K150 PolarHBondContact O-N 3.18Å; K150-S152 PolarHBondContact O-N 2.89Å
151I47.2Very low59.5Low120 Ų120100.5 Ų100.562%0.61555%0.548SS*.  trans-91.994.4-177.6-56.3174.7000106.9S149 V153S149-I151 PolarHBondContact O-N 3.48Å; I151-V153 PolarHBondContact O-N 3.5Å
152S42.5Very low57.4Low98 Ų98104 Ų10469%0.68558%0.576SS**  trans-56.6107.1158.9-179.10000107.8K150 V154K150-S152 PolarHBondContact O-N 2.89Å; S152-V154 PolarHBondContact O-N 3.42Å
153V44.8Very low55Low103 Ų103113 Ų11362%0.62462%0.618SS**  trans-7087.9169.5-179.30000106.8I151 P155I151-V153 PolarHBondContact O-N 3.5Å; V153-P155 WeakPolarHBondContact O-CD 3.49Å
154V42Very low52.8Low100 Ų100113.1 Ų113.161%0.60663%0.63SS**PPolyproline II helixtrans-62.2117.5172.8-176.50000106.5S152S152-V154 PolarHBondContact O-N 3.42Å
155P44.9Very low50.6Low100 Ų100120.1 Ų120.165%0.64966%0.657SS**PPolyproline II helixtrans-60.1142.8174.526.9-33.6000108.3V153 T157V153-P155 WeakPolarHBondContact O-CD 3.49Å; P155-T157 PolarHBondContact O-N 3.23Å
156P43.5Very low48.4Very low126 Ų126125 Ų12582%0.81870%0.695SS**PPolyproline II helixtrans-53.9118.1-17321-33000110.3
157T40.1Very low46.1Very low117 Ų117126.2 Ų126.272%0.71871%0.713SS**PPolyproline II helixtrans-54.7129177.2-42.10000108.2P155P155-T157 PolarHBondContact O-N 3.23Å
158P44.5Very low44.2Very low99 Ų99122.6 Ų122.664%0.64372%0.718SS**PPolyproline II helixtrans-56139.9171-18.229000108.9
159P46.9Very low42.6Very low110 Ų110124.2 Ų124.271%0.71474%0.736SS**PPolyproline II helixtrans-57.7142.3173.925.3-33.6000109.6F161P159-F161 PolarHBondContact O-N 2.92Å
160P52.7Low41.5Very low119 Ų119129.1 Ų129.177%0.77377%0.77SS**PPolyproline II helixtrans-61.7134.6178.326.2-33.5000110S162P160-S162 PolarHBondContact O-N 3.29Å
161F39.5Very low40.7Very low195 Ų195130.1 Ų130.186%0.85577%0.768SS**PPolyproline II helixtrans-73.4116.7168.7-77-92.3000108.5P159 E163P159-F161 PolarHBondContact O-N 2.92Å; F161-E163 PolarHBondContact O-N 2.98Å
162S42.2Very low40.3Very low115 Ų115132.3 Ų132.380%0.80478%0.78SS**  trans-74.2109169.7-58.30000109.7P160 S164P160-S162 PolarHBondContact O-N 3.29Å; S162-S164 PolarHBondContact O-N 3.34Å
163E34.6Very low39.9Very low195 Ų195134.8 Ų134.891%0.91178%0.781SS**  trans-76112.6167.1-69.5-175.1144.500109.9F161F161-E163 PolarHBondContact O-N 2.98Å
164S38.8Very low39.5Very low106 Ų106137.1 Ų137.174%0.74179%0.785SS**  trans-141.390.1163.964.50000110.2S162S162-S164 PolarHBondContact O-N 3.34Å
165Q36.8Very low39.1Very low195 Ų195138.8 Ų138.891%0.91179%0.79SS**  trans16.9115.3152.6-56.1176.419.400117.5
166C35.6Very low38.5Very low136 Ų136136.2 Ų136.292%0.91978%0.782SS**  trans-152.4138137.5-137.60000110.9
167S33.6Very low38.1Very low114 Ų114138.9 Ų138.980%0.79778%0.783SS**  trans-92.8129.9-162.3-50.40000112.7
168S37.2Very low37.8Very low118 Ų118140.6 Ų140.683%0.82578%0.781SS**  trans175.5123.4134.839.30000114.8
169S35.8Very low37.8Very low117 Ų117147.5 Ų147.582%0.81879%0.794SS**  trans27.8106.4142.2-151.40000121.1
170S35.9Very low37.7Very low119 Ų119145.6 Ų145.683%0.83280%0.795SS**  168.4162.8107.351.80000112
171R36.4Very low37.1Very low231 Ų231146 Ų14687%0.87278%0.784SS**  trans-105138.6-157-55.8172.6-164-159.41114.1
172L38Very low37.8Very low165 Ų165141.6 Ų141.686%0.86477%0.77SS**  trans173.697.2144.9-96.7156.2000106.3
173Q34.6Very low38.2Very low150 Ų150144 Ų14470%0.70177%0.766SS**  30.3125.481.5-66-176.3-69.700113.2
174E35Very low39.1Very low152 Ų152138.4 Ų138.471%0.7175%0.748SS**  cis-158.3171-1.9-112161-117.800106.5
175L33.8Very low40.3Very low135 Ų135136.2 Ų136.271%0.70773%0.73SS**  cis-146.7146.518.1-171.472.3000109.8
176G33Very low41.2Very low47 Ų47130.7 Ų130.749%0.48571%0.705SS.*  trans-111.9173.9169.900000113.3
177H35.5Very low42.5Very low182 Ų182129.6 Ų129.684%0.84369%0.689SS**  trans72.369.7162.9-49.9108.4000120.6
178F34.2Very low44.1Very low153 Ų153129.4 Ų129.467%0.67168%0.679SS**  trans-138.751.6151.8-78.1-69.9000113.5F181 N182F178-F181 HydrophobicContact CD1-CB 4.19Å; F178-N182 PolarHBondContact O-ND2 3.41Å
179R43.9Very low45.3Very low243 Ų243128 Ų12892%0.91766%0.658SS**SBendtrans-79.8-20.6178.8-142.8177.8-73.4-113.56.5113.7
180G43.9Very low46.5Very low71 Ų71127.4 Ų127.473%0.73265%0.645SS**SBendtrans-89.1-21.6179.400000116.4N182G180-N182 VanDerWaalsContact C-N 3.32Å; G180-N182 PolarHBondContact O-N 3.03Å
181F41.2Very low48Very low127 Ų127124.7 Ų124.756%0.55763%0.626SS**THydrogen-bonded Turntrans-73.3-21.9-168.7-149-102.2000114.1F178 K183 S184 V185F178-F181 HydrophobicContact CD1-CB 4.19Å; F181-K183 PolarHBondContact O-N 2.91Å; F181-S184 PolarHBondContact O-N 3.41Å; F181-V185 HydrophobicContact CD1-CG2 3.51Å; F181-V185 HydrophobicContact CE1-CG2 3.74Å; F181-V185 PolarHBondContact O-N 3.15Å
182N53.9Low49.4Very low102 Ų102116.5 Ų116.555%0.54560%0.602SS.*Hα-helixtrans-60-36.7-170.8-70.8-74.9000114.3F178 G180 S184 V185 E186F178-N182 PolarHBondContact O-ND2 3.41Å; G180-N182 VanDerWaalsContact C-N 3.32Å; G180-N182 PolarHBondContact O-N 3.03Å; N182-S184 PolarHBondContact O-N 2.99Å; N182-V185 PolarHBondContact O-N 2.9Å; N182-E186 WeakPolarHBondContact O-CG 3.3Å; N182-E186 PolarHBondContact O-N 2.73Å
183K50.9Low50.7Low165 Ų165111 Ų11172%0.71758%0.575SS**Hα-helixtrans-67.4-34.5-177.3-115.6176.3-179.1176.50113.3F181 N187F181-K183 PolarHBondContact O-N 2.91Å; K183-N187 PolarHBondContact O-N 3.44Å
184S52.9Low52.1Low79 Ų79107.3 Ų107.355%0.55256%0.563SS**Hα-helixtrans-69.5-44.7174.9-175.10000110.7F181 N182 E186 N187 L188F181-S184 PolarHBondContact O-N 3.41Å; N182-S184 PolarHBondContact O-N 2.99Å; S184-E186 VanDerWaalsContact C-N 3.34Å; S184-E186 PolarHBondContact O-N 3.33Å; S184-N187 PolarHBondContact O-N 3.13Å; S184-L188 PolarHBondContact O-N 3.08Å
185V64.9Low53.4Low59 Ų59106.1 Ų106.136%0.35856%0.558SS.*Hα-helixtrans-63.1-36.7175.5-1790000112F181 N182 L188 F189F181-V185 HydrophobicContact CD1-CG2 3.51Å; F181-V185 HydrophobicContact CE1-CG2 3.74Å; F181-V185 PolarHBondContact O-N 3.15Å; N182-V185 PolarHBondContact O-N 2.9Å; V185-L188 PolarHBondContact O-N 3.08Å; V185-F189 WeakPolarHBondContact O-CB 3.5Å; V185-F189 PolarHBondContact O-N 2.89Å
186E54.2Low54.7Low80 Ų80104 Ų10437%0.37455%0.545SS..Hα-helixtrans-64.1-43.3175-76.9-169126.900112.9R37 N182 S184 F189 L190R37-E186 IonicContact CZ-OE1 2.73Å; R37-E186 IonicContact NE-OE1 3.48Å; R37-E186 IonicContact NH2-OE1 3.86Å; R37-E186 PolarHBondContact NH2-OE1 2.66Å; N182-E186 WeakPolarHBondContact O-CG 3.3Å; N182-E186 PolarHBondContact O-N 2.73Å; S184-E186 VanDerWaalsContact C-N 3.34Å; S184-E186 PolarHBondContact O-N 3.33Å; E186-F189 PolarHBondContact O-N 3.17Å; E186-L190 WeakPolarHBondContact O-CB 3.47Å; E186-L190 WeakPolarHBondContact O-CG 3.45Å; E186-L190 PolarHBondContact O-N 3Å
187N64.3Low55.8Low112 Ų112108.7 Ų108.760%0.59955%0.548SS*.Hα-helixtrans-64.1-40.5174.4-79.8-25.8000111.8K183 S184 L190 S191K183-N187 PolarHBondContact O-N 3.44Å; S184-N187 PolarHBondContact O-N 3.13Å; N187-L190 PolarHBondContact O-N 3.43Å; N187-S191 WeakPolarHBondContact O-CB 3.01Å; N187-S191 PolarHBondContact O-N 3.04Å
188L66.1Low56.7Low111 Ų111107.4 Ų107.458%0.58154%0.54SS*.Hα-helixtrans-63-43173.5-174.363.8000111.3S184 V185 S191 V192S184-L188 PolarHBondContact O-N 3.08Å; V185-L188 PolarHBondContact O-N 3.08Å; L188-S191 PolarHBondContact O-N 3.28Å; L188-V192 HydrophobicContact CD1-CG2 4.36Å; L188-V192 HydrophobicContact CG-CG2 4.45Å; L188-V192 WeakPolarHBondContact O-CB 3.19Å; L188-V192 VanDerWaalsContact O-CG2 3.3Å; L188-V192 WeakPolarHBondContact O-CG2 3.47Å; L188-V192 PolarHBondContact O-N 3.46Å
189F62.3Low57.5Low87 Ų87105.2 Ų105.238%0.38254%0.535SS..Hα-helixtrans-66.6-38178.3-143.3-88.1000112V185 E186 T193V185-F189 WeakPolarHBondContact O-CB 3.5Å; V185-F189 PolarHBondContact O-N 2.89Å; E186-F189 PolarHBondContact O-N 3.17Å; F189-T193 HydrophobicContact CD1-CG2 3.77Å; F189-T193 HydrophobicContact CE1-CG2 3.85Å; F189-T193 VanDerWaalsContact O-CB 3.3Å; F189-T193 WeakPolarHBondContact O-CB 3.48Å; F189-T193 VanDerWaalsContact O-CG2 3.23Å; F189-T193 WeakPolarHBondContact O-CG2 3.48Å; F189-T193 PolarHBondContact O-N 2.88Å; F189-T193 PolarHBondContact O-OG1 2.94Å
190L62.3Low57.7Low105 Ų10596.7 Ų96.755%0.5551%0.513SS..Hα-helixtrans-64.6-42.7171.9-77.8165.3000111.6E186 N187 T193 T194E186-L190 WeakPolarHBondContact O-CB 3.47Å; E186-L190 WeakPolarHBondContact O-CG 3.45Å; E186-L190 PolarHBondContact O-N 3Å; N187-L190 PolarHBondContact O-N 3.43Å; L190-T193 PolarHBondContact O-OG1 3.2Å; L190-T194 VanDerWaalsContact O-CB 3.25Å; L190-T194 WeakPolarHBondContact O-CB 3.43Å; L190-T194 PolarHBondContact O-N 2.83Å; L190-T194 PolarHBondContact O-OG1 3.2Å
191S66.2Low57.8Low63 Ų63100.6 Ų100.644%0.44151%0.509SS..Hα-helixtrans-62.9-50.9175.5-172.10000111.7N187 L188 T193 T194 Q195N187-S191 WeakPolarHBondContact O-CB 3.01Å; N187-S191 PolarHBondContact O-N 3.04Å; L188-S191 PolarHBondContact O-N 3.28Å; S191-T193 PolarHBondContact O-N 2.88Å; S191-T194 WeakPolarHBondContact O-CB 3.48Å; S191-T194 PolarHBondContact O-N 2.88Å; S191-T194 VanDerWaalsContact O-N 3.15Å; S191-Q195 PolarHBondContact O-N 3.34Å
192V67.3Low58Low59 Ų5996.8 Ų96.836%0.35850%0.498SS..Hα-helixtrans-62.8-43.8178.8171.30000111.7L188 T194 Q195 M196L188-V192 HydrophobicContact CD1-CG2 4.36Å; L188-V192 HydrophobicContact CG-CG2 4.45Å; L188-V192 WeakPolarHBondContact O-CB 3.19Å; L188-V192 VanDerWaalsContact O-CG2 3.3Å; L188-V192 WeakPolarHBondContact O-CG2 3.47Å; L188-V192 PolarHBondContact O-N 3.46Å; V192-T194 VanDerWaalsContact C-N 3.27Å; V192-T194 PolarHBondContact O-N 2.8Å; V192-Q195 PolarHBondContact O-N 3.26Å; V192-M196 WeakPolarHBondContact O-CB 3.39Å; V192-M196 WeakPolarHBondContact O-CG 3.47Å; V192-M196 PolarHBondContact O-N 2.78Å
193T64Low57.6Low49 Ų4999.2 Ų99.230%0.30151%0.507SS..Hα-helixtrans-68.5-27.5176.754.60000112.6F189 L190 S191 R197F189-T193 HydrophobicContact CD1-CG2 3.77Å; F189-T193 HydrophobicContact CE1-CG2 3.85Å; F189-T193 VanDerWaalsContact O-CB 3.3Å; F189-T193 WeakPolarHBondContact O-CB 3.48Å; F189-T193 VanDerWaalsContact O-CG2 3.23Å; F189-T193 WeakPolarHBondContact O-CG2 3.48Å; F189-T193 PolarHBondContact O-N 2.88Å; F189-T193 PolarHBondContact O-OG1 2.94Å; L190-T193 PolarHBondContact O-OG1 3.2Å; S191-T193 PolarHBondContact O-N 2.88Å; T193-R197 WeakPolarHBondContact O-CB 3.47Å; T193-R197 WeakPolarHBondContact O-CG 3.43Å; T193-R197 PolarHBondContact O-N 2.9Å
194T64.8Low57.5Low73 Ų7396.6 Ų96.645%0.44850%0.5SS..Hα-helixtrans-73.5-42.9172.7-58.40000111.5L190 S191 V192 R197 K198L190-T194 VanDerWaalsContact O-CB 3.25Å; L190-T194 WeakPolarHBondContact O-CB 3.43Å; L190-T194 PolarHBondContact O-N 2.83Å; L190-T194 PolarHBondContact O-OG1 3.2Å; S191-T194 WeakPolarHBondContact O-CB 3.48Å; S191-T194 PolarHBondContact O-N 2.88Å; S191-T194 VanDerWaalsContact O-N 3.15Å; V192-T194 VanDerWaalsContact C-N 3.27Å; V192-T194 PolarHBondContact O-N 2.8Å; T194-R197 WeakPolarHBondContact O-CB 3.46Å; T194-R197 PolarHBondContact O-N 3.02Å; T194-K198 PolarHBondContact O-N 2.82Å
195Q62.1Low57.3Low127 Ų12798.2 Ų98.259%0.59350%0.503SS*.Hα-helixtrans-64.5-41.9172.5-74.1-158.1-12.300112.2S191 V192 R197 K198 L199S191-Q195 PolarHBondContact O-N 3.34Å; V192-Q195 PolarHBondContact O-N 3.26Å; Q195-R197 VanDerWaalsContact C-N 3.26Å; Q195-R197 PolarHBondContact O-N 2.86Å; Q195-K198 WeakPolarHBondContact O-CA 3.12Å; Q195-K198 WeakPolarHBondContact O-CB 3.41Å; Q195-K198 PolarHBondContact O-N 2.85Å; Q195-L199 PolarHBondContact O-N 2.86Å
196M61Low56.2Low89 Ų89103.1 Ų103.144%0.43852%0.524SS..Hα-helixtrans-63.9-29.3173.1-77.2-157.5149.800112.9V192 S200V192-M196 WeakPolarHBondContact O-CB 3.39Å; V192-M196 WeakPolarHBondContact O-CG 3.47Å; V192-M196 PolarHBondContact O-N 2.78Å; M196-S200 WeakPolarHBondContact O-CB 3.45Å; M196-S200 PolarHBondContact O-N 3.03Å
197R56.8Low55.9Low146 Ų146105.1 Ų105.155%0.55154%0.541SS*.Hα-helixtrans-70.2-35.4169.3-85.6175.7165.6176.1-5.3112.8T193 T194 Q195 K201T193-R197 WeakPolarHBondContact O-CB 3.47Å; T193-R197 WeakPolarHBondContact O-CG 3.43Å; T193-R197 PolarHBondContact O-N 2.9Å; T194-R197 WeakPolarHBondContact O-CB 3.46Å; T194-R197 PolarHBondContact O-N 3.02Å; Q195-R197 VanDerWaalsContact C-N 3.26Å; Q195-R197 PolarHBondContact O-N 2.86Å; R197-K201 PolarHBondContact O-N 2.85Å
198K53.9Low54.5Low156 Ų156104.6 Ų104.668%0.67855%0.547SS*.Hα-helixtrans-64.3-49.1171.5-70.6-174.7175-173.20110.9T194 Q195 S200 K201 S202T194-K198 PolarHBondContact O-N 2.82Å; Q195-K198 WeakPolarHBondContact O-CA 3.12Å; Q195-K198 WeakPolarHBondContact O-CB 3.41Å; Q195-K198 PolarHBondContact O-N 2.85Å; K198-S200 PolarHBondContact O-N 2.89Å; K198-K201 PolarHBondContact O-N 2.79Å; K198-K201 VanDerWaalsContact O-N 3.15Å; K198-S202 PolarHBondContact O-N 2.73Å; K198-S202 PolarHBondContact O-OG 2.94Å
199L51.5Low52.9Low106 Ų106107.9 Ų107.956%0.55556%0.559SS**Hα-helixtrans-62-38176.4-71.8165.5000113.3Q195 K201 S202 Q203Q195-L199 PolarHBondContact O-N 2.86Å; L199-K201 VanDerWaalsContact C-N 3.34Å; L199-S202 WeakPolarHBondContact CA-OG 3.28Å; L199-S202 PolarHBondContact O-OG 3.25Å; L199-S202 VanDerWaalsContact O-OG 3.06Å; L199-Q203 WeakPolarHBondContact O-CG 3.31Å; L199-Q203 PolarHBondContact O-N 2.84Å
200S47.5Very low51.4Low65 Ų65113.4 Ų113.446%0.45558%0.583SS.*Hα-helixtrans-72.8-25.6176.3-172.70000112.8M196 K198 N204M196-S200 WeakPolarHBondContact O-CB 3.45Å; M196-S200 PolarHBondContact O-N 3.03Å; K198-S200 PolarHBondContact O-N 2.89Å; S200-N204 PolarHBondContact O-ND2 2.99Å
201K45.8Very low50.1Low152 Ų152117.6 Ų117.666%0.66160%0.599SS**Hα-helixtrans-73.3-50.6168.2-82.6-167.8168.5-162.80111.1R197 K198 L199 Q203 N204 D205R197-K201 PolarHBondContact O-N 2.85Å; K198-K201 PolarHBondContact O-N 2.79Å; K198-K201 VanDerWaalsContact O-N 3.15Å; L199-K201 VanDerWaalsContact C-N 3.34Å; K201-Q203 PolarHBondContact O-N 3.39Å; K201-Q203 VanDerWaalsContact O-N 3.15Å; K201-N204 WeakPolarHBondContact O-CA 3.42Å; K201-N204 WeakPolarHBondContact O-CB 3.42Å; K201-N204 PolarHBondContact O-N 3.42Å; K201-D205 PolarHBondContact O-N 2.94Å
202S45.2Very low48.3Very low47 Ų47122.7 Ų122.733%0.32962%0.621SS.*Hα-helixtrans-60.8-28.8179.865.20000113.3K198 L199 N204 D205 M206K198-S202 PolarHBondContact O-N 2.73Å; K198-S202 PolarHBondContact O-OG 2.94Å; L199-S202 WeakPolarHBondContact CA-OG 3.28Å; L199-S202 PolarHBondContact O-OG 3.25Å; L199-S202 VanDerWaalsContact O-OG 3.06Å; S202-N204 VanDerWaalsContact C-N 3.33Å; S202-D205 PolarHBondContact O-N 3.16Å; S202-M206 WeakPolarHBondContact O-CB 3.45Å; S202-M206 WeakPolarHBondContact O-CG 3.24Å; S202-M206 PolarHBondContact O-N 3.07Å; S202-M206 VanDerWaalsContact O-N 3.09Å
203Q46.3Very low46.7Very low154 Ų154128.5 Ų128.572%0.7265%0.649SS**Hα-helixtrans-71.2-20.2171.5-80.8-169.7-8.800114.9L199 K201L199-Q203 WeakPolarHBondContact O-CG 3.31Å; L199-Q203 PolarHBondContact O-N 2.84Å; K201-Q203 PolarHBondContact O-N 3.39Å; K201-Q203 VanDerWaalsContact O-N 3.15Å
204N47.8Very low45.3Very low110 Ų110130 Ų13059%0.58867%0.667SS**Hα-helixtrans-86.5-35169.7-69.5-62.5000111.2S200 K201 S202 M206 T207S200-N204 PolarHBondContact O-ND2 2.99Å; K201-N204 WeakPolarHBondContact O-CA 3.42Å; K201-N204 WeakPolarHBondContact O-CB 3.42Å; K201-N204 PolarHBondContact O-N 3.42Å; S202-N204 VanDerWaalsContact C-N 3.33Å; N204-M206 VanDerWaalsContact C-N 3.3Å; N204-M206 PolarHBondContact O-N 2.91Å; N204-T207 PolarHBondContact O-N 3.43Å; N204-T207 PolarHBondContact O-OG1 3.44Å
205D49.2Very low43.9Very low113 Ų113134.7 Ų134.760%0.60469%0.686SS**Hα-helixtrans-66.4-32.3178.6-57.1-34.3000111.6K201 S202 T207 S208K201-D205 PolarHBondContact O-N 2.94Å; S202-D205 PolarHBondContact O-N 3.16Å; D205-T207 PolarHBondContact O-N 2.84Å; D205-T207 VanDerWaalsContact O-N 3.14Å; D205-S208 PolarHBondContact O-N 2.9Å
206M42.9Very low42.6Very low162 Ų162135.5 Ų135.580%0.79869%0.694SS**THydrogen-bonded Turntrans-72.82.7176.9-70.4-72.3158.200115.3S202 N204S202-M206 WeakPolarHBondContact O-CB 3.45Å; S202-M206 WeakPolarHBondContact O-CG 3.24Å; S202-M206 PolarHBondContact O-N 3.07Å; S202-M206 VanDerWaalsContact O-N 3.09Å; N204-M206 VanDerWaalsContact C-N 3.3Å; N204-M206 PolarHBondContact O-N 2.91Å
207T46.6Very low41.4Very low121 Ų121136 Ų13674%0.74270%0.703SS**THydrogen-bonded Turntrans-101.610.5173.827.40000114.4N204 D205N204-T207 PolarHBondContact O-N 3.43Å; N204-T207 PolarHBondContact O-OG1 3.44Å; D205-T207 PolarHBondContact O-N 2.84Å; D205-T207 VanDerWaalsContact O-N 3.14Å
208S36.2Very low40.5Very low102 Ų102139.8 Ų139.871%0.71372%0.718SS**SBendtrans-121.133.6-179.2-168.30000114.2D205D205-S208 PolarHBondContact O-N 2.9Å
209E30.8Very low39.8Very low180 Ų180140.7 Ų140.784%0.84172%0.724SS**  trans-156.2101.2172.4-125.3171.7-154.100112.3
210K31.9Very low39Very low202 Ų202140.7 Ų140.788%0.87873%0.732SS**  trans166.196.3155.4-99.3170.4-178.8-179.90110.3
211H33.7Very low38.7Very low193 Ų193144.4 Ų144.489%0.89475%0.752SS**  trans-171.442.2152.4-103.4-63.7000112.3
212L30.1Very low38.3Very low171 Ų171140.7 Ų140.790%0.89576%0.757SS**  trans-146.784.8167.6-78-176.4000111.7
213L32.7Very low38Very low180 Ų180146.7 Ų146.794%0.94278%0.779SS**  trans-156.2131.3155.6-69.6-177.6000104.7
214A34.7Very low37.5Very low82 Ų82144 Ų14468%0.67877%0.774SS**  cis-156173.60.300000110.8
215M34.7Very low37Very low171 Ų171145.4 Ų145.484%0.84278%0.777SS**  trans70.3137.7169.1-44.7-168.577.300116
216D35Very low36.3Very low144 Ų144148.9 Ų148.977%0.7778%0.781SS**  cis-149.7166.6-5.4-13727.1000109.7
217P36.1Very low36Very low98 Ų98151.7 Ų151.764%0.63678%0.783SS**  trans-111165.8-150.740.7-37.3000116.3
218R38Very low35.3Very low227 Ų227150.7 Ų150.786%0.85778%0.781SS**  trans-172.6127.5142.3-101.4153.9-156.2-1346.3112
219Q39.5Very low35.3Very low174 Ų174155 Ų15581%0.81379%0.79SS**  trans47.6139.1140.2-63.6164.3-22.900119.8
220C35.2Very low35.5Very low107 Ų107150.9 Ų150.972%0.72378%0.78SS**  cis-162.8156.21-122.20000110.3
221V39.8Very low35.8Very low142 Ų142148 Ų14886%0.86178%0.775SS**  trans21.4126.5146.2-170.80000117.9
222G38.7Very low36Very low74 Ų74145.2 Ų145.276%0.76377%0.772SS**  cis-169.3-153.76.800000108.4
223H38.8Very low36.3Very low174 Ų174141.1 Ų141.181%0.80676%0.762SS**  cis-157.3176-3.9-171-96.3000109.7
224T34.3Very low36.3Very low98 Ų98139 Ų13960%0.60176%0.757SS**  trans-79.2164.8175.128.40000113.5
225E38.1Very low36.3Very low139 Ų139142.7 Ų142.765%0.6577%0.765SS**  cis-165.5169.226.2-137174.7172.700115.1
226R35.1Very low36.1Very low186 Ų186140 Ų14070%0.70276%0.758SS**  trans17.1144.9148.5-69.3162.3-162.6-128.2-7119.8
227R35.3Very low36.2Very low220 Ų220139.8 Ų139.883%0.8376%0.762SS**  cis-172.6160.741.5-140.3165.6-174.3159.5-3.5112.8
228S32.4Very low36Very low100 Ų100140.1 Ų140.170%0.69977%0.766SS**  trans-44.2143.9171.7-178.50000117.8
229Q35.9Very low35.8Very low194 Ų194141.3 Ų141.391%0.90777%0.771SS**  -163.1168.7118-105.8176.745.700112.5
230S35Very low35.4Very low92 Ų92143.1 Ų143.164%0.64378%0.776SS**  trans-118.2172.2-16049.40000114.9
231D38.3Very low35.4Very low141 Ų141143 Ų14375%0.75478%0.782SS**  trans108.1136.1145.6-63.7-58000122.1
232T38.2Very low35.1Very low136 Ų136141.9 Ų141.983%0.83478%0.781SS**  trans84.1124.4151.810.80000123.6
233A36.7Very low34.9Very low84 Ų84144 Ų14469%0.69478%0.78SS**  trans77.5106.3132.400000122.1
234V31.8Very low34.8Very low136 Ų136141.7 Ų141.782%0.82478%0.78SS**  37.2109.7122.3-169.40000118.1
235N35.8Very low34.5Very low159 Ų159143.7 Ų143.785%0.8579%0.787SS**  -151.6158.6123.9-138.6-25.1000114.2
236V31.2Very low34.5Very low116 Ų116145.3 Ų145.370%0.70380%0.798SS**  trans-86.8139.6178.7171.40000109.6
237T35.8Very low34.4Very low139 Ų139143.8 Ų143.885%0.85380%0.803SS**  trans-172.2148.7132.518.10000113.4
238S31.6Very low34.3Very low104 Ų104142.6 Ų142.673%0.72780%0.804SS**  trans-75.4147.5174.553.60000113.1
239R35.4Very low34.2Very low252 Ų252141.9 Ų141.995%0.95180%0.804SS**  trans-151.8135.5140.7-103.2170.4-142.3-150.95.5110.2
240K30.3Very low34.1Very low213 Ų213141.3 Ų141.393%0.92680%0.799SS**  trans-85.1145.2167.2-71174.8175.81750108.7
241A35.9Very low34.2Very low103 Ų103144.7 Ų144.785%0.85180%0.804SS**  trans-145.2162.1158.500000108.7
242S33.7Very low33.8Very low119 Ų119145.4 Ų145.483%0.83280%0.803SS**  trans-107.3165.8-147.6-50.90000115.8
243T33.1Very low33.6Very low120 Ų120147.3 Ų147.374%0.73680%0.802SS**  trans-51.4166.2166.5-4.10000114.1
244P36.4Very low33.3Very low125 Ų125150.3 Ų150.381%0.81281%0.807SS**  -145.3173.373.737-16.4000118.1
245D29.2Very low33.7Very low140 Ų140149 Ų14975%0.74980%0.802SS**  trans-70160.9-177.7-62.3-81.5000115.7
246I38Very low33.7Very low172 Ų172150.7 Ų150.788%0.88280%0.801SS**  trans-124.4121.7154.2-65.6-178.6000109.2
247L32.1Very low33.7Very low155 Ų155153.6 Ų153.681%0.81281%0.807SS**  trans-76.1148.9179-65.4156.7000112.2
248K34.2Very low33.9Very low195 Ų195152.6 Ų152.685%0.84880%0.803SS**  -170137.4119.7-107.1170.3-178.5179.20112.3
249A29Very low34.3Very low85 Ų85153.2 Ų153.270%0.70280%0.804SS**  trans-113.1153.2174.300000110.1
250F34.7Very low34.4Very low182 Ų182148.4 Ų148.480%0.79880%0.797SS**  trans-144.5111.7163.2-84.9-80.3000109.2
251H36.5Very low34.9Very low162 Ų162143.8 Ų143.875%0.7579%0.789SS**  12.3144.7119.9-72.2-91.5000117.5
252Q31.1Very low34.8Very low156 Ų156144.9 Ų144.973%0.72979%0.785SS**  cis-171.9-1803.2-179.5174.8-31.100109
253E34Very low35.1Very low176 Ų176145.5 Ų145.582%0.82278%0.778SS**  trans100.4119157-55.2-161.4141.300119.8
254D30.1Very low35.2Very low148 Ų148147.5 Ų147.579%0.79178%0.776SS**  trans-111.8150.4169.2-148.7-25.3000105.8
255P39.9Very low35Very low109 Ų109149.2 Ų149.271%0.70877%0.774SS**  -154.1139.4116.533.5-14000118.6
256K35.8Very low35.2Very low194 Ų194149.5 Ų149.584%0.84378%0.775SS**  trans67.6119.1130.5-63.2177.1179.5176.70122.3
257H31.2Very low35Very low177 Ų177147.3 Ų147.382%0.81977%0.77SS**  trans-23.4163.9142.8-92.3-55.1000119
258P40.1Very low35.5Very low118 Ų118145 Ų14577%0.76677%0.765SS**  -147.6-148.754.447.8-25000115.9
259P40.5Very low35.7Very low116 Ų116141.3 Ų141.375%0.75376%0.761SS**  -126-176.6-121.630.5-4.4000117.7
260D36.9Very low36Very low151 Ų151142.7 Ų142.781%0.80777%0.765SS**  trans-62.9166.2179.9-57.5-71000115.5
261P39.8Very low36Very low116 Ų116139.3 Ų139.375%0.75376%0.764SS**  -148.4141.190.436.4-17.9000118.2
262V35.1Very low36.1Very low126 Ų126137 Ų13776%0.76476%0.763SS**  33.6130.3125.9-173.20000120.2
263L38.8Very low36.2Very low133 Ų133134.8 Ų134.870%0.69676%0.76SS**  170.4136109.7-164.560.6000117.1
264K35.5Very low36.2Very low161 Ų161134.6 Ų134.670%0.776%0.759SS**  trans63.6118154.8-78.7165.2-170.4174.70124.4
265Q31.7Very low36.5Very low161 Ų161133.4 Ų133.475%0.75276%0.762SS**  20.7132.1123.6-65.7165.4-79.800120
266D34.9Very low36Very low147 Ų147132.8 Ų132.879%0.78677%0.767SS**  -171.6-176.882.3-115.9-45.2000115.6
267T32.8Very low36Very low125 Ų125130.1 Ų130.177%0.76777%0.766SS**  trans-98.4149-156.4-53.50000115.2
268P42.2Very low35.9Very low108 Ų108131.3 Ų131.370%0.70177%0.769SS**  trans-94.2173-178.940.6-38.7000113.7
269P39.4Very low35.4Very low117 Ų117131.9 Ų131.976%0.7678%0.776SS**  -160.4-173.596.341.9-21.5000118
270S34.8Very low35Very low114 Ų114129.2 Ų129.280%0.79777%0.77SS**  trans82.2145.1161.3840000118.2
271S35.9Very low34.7Very low111 Ų111125.5 Ų125.578%0.77677%0.768SS**  cis-157.9-162.6-20.564.30000109.7
272P37.5Very low34.6Very low112 Ų112128 Ų12873%0.72777%0.773SS**  trans-115-178.9-131.632.5-10.6000116.5
273T33.2Very low34.7Very low110 Ų110131.5 Ų131.568%0.67577%0.773SS**  159.5151.3111.7-42.60000113.6
274H34.6Very low34.6Very low173 Ų173132.5 Ų132.580%0.80177%0.774SS**  trans72.7112.2161.5-71.7-65.3000122.9
275S35.1Very low34.6Very low122 Ų122127.3 Ų127.385%0.85377%0.766SS**  148.9146.5113.662.80000113
276A29.3Very low34.8Very low97 Ų97123.3 Ų123.380%0.80276%0.756SS**  trans-91137.7-161.900000114.8
277V35.8Very low34.8Very low137 Ų137121.2 Ų121.283%0.8374%0.744SS**  trans-139.3134.9155.1-174.90000110.7S279V277-S279 PolarHBondContact O-N 3.33Å
278F29.9Very low35Very low202 Ų202121.6 Ų121.689%0.88674%0.74SS**  trans-66.4115.3178.4-75.1-104.4000112.8G280F278-G280 VanDerWaalsContact C-N 3.29Å; F278-G280 PolarHBondContact O-N 2.97Å
279S30Very low34.5Very low130 Ų130120.5 Ų120.591%0.90974%0.735SS**  trans-76.874.8168.9-72.10000112.1V277 G281V277-S279 PolarHBondContact O-N 3.33Å; S279-G281 PolarHBondContact O-N 2.65Å
280G32.9Very low34.4Very low60 Ų60122.3 Ų122.362%0.61974%0.737SS**  trans-68.2114.9173.800000112.5F278 L282F278-G280 VanDerWaalsContact C-N 3.29Å; F278-G280 PolarHBondContact O-N 2.97Å; G280-L282 PolarHBondContact O-N 2.73Å; G280-L282 VanDerWaalsContact O-N 3.16Å
281G30.5Very low34.3Very low74 Ų74124.1 Ų124.176%0.76374%0.737SS**  trans-60.4113.4-174.900000114.8S279 R283S279-G281 PolarHBondContact O-N 2.65Å; G281-R283 PolarHBondContact O-N 3.48Å
282L37.9Very low34.2Very low167 Ų167123.3 Ų123.387%0.87473%0.732SS**  trans-69.987.1176.3-79120.4000112.4G280 H284G280-L282 PolarHBondContact O-N 2.73Å; G280-L282 VanDerWaalsContact O-N 3.16Å; L282-H284 PolarHBondContact O-N 3.06Å
283R37.1Very low33.8Very low201 Ų201124 Ų12476%0.75873%0.734SS**  trans-67.3122.3172.4-76.7-168.4173.1-138-6.5111.7G281 G285G281-R283 PolarHBondContact O-N 3.48Å; R283-G285 VanDerWaalsContact C-N 3.33Å; R283-G285 PolarHBondContact O-N 2.94Å
284H36.4Very low33.9Very low153 Ų153124.7 Ų124.771%0.70874%0.742SS**  trans-75.872.5-177.9-120.5-92.8000112.9R96 L282 S286R96-H284 PolarHBondContact NH1-ND1 3.22Å; R96-H284 PolarHBondContact NH1-O 2.69Å; L282-H284 PolarHBondContact O-N 3.06Å; H284-S286 PolarHBondContact O-N 3.15Å
285G35.6Very low34Very low53 Ų53122.4 Ų122.455%0.54674%0.741SS.*  trans-63.889.9171.500000114.1R96 R283R96-G285 PolarHBondContact NH1-O 3.32Å; R283-G285 VanDerWaalsContact C-N 3.33Å; R283-G285 PolarHBondContact O-N 2.94Å
286S36Very low33.9Very low77 Ų77120.9 Ų120.954%0.53872%0.72SS.*  trans-88.8106.6-175.7-169.60000111.5H284 I288H284-S286 PolarHBondContact O-N 3.15Å; S286-I288 VanDerWaalsContact C-N 3.32Å; S286-I288 PolarHBondContact O-N 3.03Å; S286-I288 VanDerWaalsContact O-N 3.1Å
287L34.3Very low34Very low102 Ų102123.9 Ų123.953%0.53472%0.719SS.*  trans-85.868.7178.8-69.8154.6000111.3I114I114-L287 HydrophobicContact CD1-CD1 3.59Å; I114-L287 HydrophobicContact CD1-CD2 4.46Å; I114-L287 HydrophobicContact CG2-CD1 4.29Å; I114-L287 HydrophobicContact CG2-CD2 3.9Å
288I36.7Very low33.9Very low134 Ų134119.7 Ų119.769%0.68770%0.704SS**  trans-158.576.5167.622.2171.5000110.1S286S286-I288 VanDerWaalsContact C-N 3.32Å; S286-I288 PolarHBondContact O-N 3.03Å; S286-I288 VanDerWaalsContact O-N 3.1Å
289S31.4Very low34.2Very low85 Ų85118.2 Ų118.259%0.59471%0.705SS**  trans-176.6100.8151.9540000109.2N291S289-N291 PolarHBondContact O-N 3.01Å
290I36.9Very low35Very low155 Ų155116.1 Ų116.180%0.79568%0.68SS**SBendtrans-82.818.2173.4-27.5-179.5000111.1
291N33.5Very low36Very low151 Ų151116.9 Ų116.981%0.80767%0.67SS**  trans-126.350.1-173.5-70.140.4000111.2S289S289-N291 PolarHBondContact O-N 3.01Å
292S33.7Very low37.2Very low94 Ų94117.4 Ų117.466%0.65766%0.655SS**  trans-149.244.6169.675.90000113.4
293T29.9Very low38.4Very low126 Ų126110.2 Ų110.277%0.77362%0.62SS**  trans-72.2155.9141.725.40000109.1
294C34.4Very low40.3Very low125 Ų125107.7 Ų107.785%0.84562%0.621SS**SBendtrans77150.1176.9-51.60000116.9
295T36Very low42.7Very low126 Ų126102 Ų10277%0.77360%0.597SS**  trans-60.3170.7-178.938.90000113.8M297T295-M297 VanDerWaalsContact C-N 3.27Å; T295-M297 PolarHBondContact O-N 3.43Å
296E34.5Very low45.4Very low90 Ų90102.7 Ų102.742%0.42159%0.591SS.*SBendtrans-6176.6176.7-63.4-174.2138.100113.3Y349 R354E296-Y349 PolarHBondContact OE1-OH 3.41Å; E296-R354 WeakPolarHBondContact OE2-CD 3.18Å; E296-R354 IonicContact OE2-CZ 3.4Å; E296-R354 IonicContact OE2-NE 2.84Å; E296-R354 IonicContact OE2-NH1 2.68Å; E296-R354 PolarHBondContact OE2-NH1 3.43Å; E296-R354 VanDerWaalsContact OE2-NH1 3.11Å
297M31.6Very low48.1Very low160 Ų16099.8 Ų99.879%0.78857%0.574SS**  trans-143.830.7176-154.772.578.900112.1T295T295-M297 VanDerWaalsContact C-N 3.27Å; T295-M297 PolarHBondContact O-N 3.43Å
298G32.4Very low51.2Low49 Ų4997.8 Ų97.851%0.50556%0.561SS.*  trans-82.3135.4170.800000110.8F300G298-F300 VanDerWaalsContact O-CD2 3.29Å; G298-F300 WeakPolarHBondContact O-CD2 3.4Å; G298-F300 PolarHBondContact O-N 2.91Å
299N37Very low54.1Low170 Ų17091.4 Ų91.491%0.90953%0.529SS*.  trans-55100.5168-91.42.7000109.7
300F47Very low57.2Low86 Ų8689.4 Ų89.438%0.37751%0.51SS..PPolyproline II helixtrans-89.9132.2158.4-58.8-69.8000106.3G298 N302 W396 R404G298-F300 VanDerWaalsContact O-CD2 3.29Å; G298-F300 WeakPolarHBondContact O-CD2 3.4Å; G298-F300 PolarHBondContact O-N 2.91Å; F300-N302 PolarHBondContact O-N 2.67Å; F300-N302 VanDerWaalsContact O-N 3.17Å; F300-W396 AromaticContact CD1-CZ3 3.95Å; F300-W396 HydrophobicContact CD1-CZ3 3.95Å; F300-W396 HydrophobicContact CD2-CH2 4.2Å; F300-W396 HydrophobicContact CD2-CZ3 4.18Å; F300-W396 HydrophobicContact CE1-CZ3 4.15Å; F300-W396 HydrophobicContact CE2-CH2 4.21Å; F300-W396 HydrophobicContact CE2-CZ3 4.37Å; F300-W396 HydrophobicContact CG-CH2 4.45Å; F300-W396 AromaticContact CG-CZ3 3.96Å; F300-W396 HydrophobicContact CG-CZ3 3.96Å; F300-W396 HydrophobicContact CZ-CH2 4.46Å; F300-W396 HydrophobicContact CZ-CZ3 4.36Å; F300-R404 HydrophobicContact CD1-CB 4.46Å; F300-R404 HydrophobicContact CE1-CB 4.45Å
301D53.7Low60.1Low76 Ų7682.1 Ų82.141%0.40647%0.472SS..PPolyproline II helixtrans-59.1124.3164.6-62.713.4000106.7R403 V405 F406D301-R403 IonicContact OD1-CZ 2.71Å; D301-R403 IonicContact OD1-NH1 2.86Å; D301-R403 IonicContact OD1-NH2 3.82Å; D301-R403 PolarHBondContact OD1-NH2 3.04Å; D301-R403 IonicContact OD2-CZ 2.78Å; D301-R403 IonicContact OD2-NH1 3.63Å; D301-R403 PolarHBondContact OD2-NH1 2.99Å; D301-R403 IonicContact OD2-NH2 2.69Å; D301-R403 PolarHBondContact OD2-NH2 3.03Å; D301-V405 HydrophobicContact CB-CG1 4.34Å; D301-V405 HydrophobicContact CB-CG2 4.29Å; D301-V405 WeakPolarHBondContact O-CG1 3.35Å; D301-F406 PolarHBondContact O-N 2.74Å
302N56.4Low63Low85 Ų8575.1 Ų75.146%0.45544%0.436SS..BIsolated β-bridgetrans-79.9118.8164.8-70.5-26.2000106.2F300F300-N302 PolarHBondContact O-N 2.67Å; F300-N302 VanDerWaalsContact O-N 3.17Å
303A61.8Low65.9Low17 Ų1770.6 Ų70.614%0.1440%0.404CS..PPolyproline II helixtrans-68.7159.7163.200000109V305 A333 V405 F406 L407A303-V305 PolarHBondContact O-N 2.89Å; A303-A333 HydrophobicContact CB-CB 4.06Å; A303-V405 HydrophobicContact CB-CG1 4.06Å; A303-F406 PolarHBondContact N-O 3.1Å; A303-L407 HydrophobicContact CB-CD2 3.96Å
304N77.1Confident68.8Low147 Ų14767.6 Ų67.679%0.78638%0.381SS*.  trans-61.8101166.5-67.9-11000107.3T306 A333N304-T306 PolarHBondContact O-N 2.68Å; N304-A333 WeakPolarHBondContact O-CB 3.21Å
305V86.8Confident71.5Confident34 Ų3462.9 Ų62.921%0.20635%0.346CS..  trans-67.7122.1-169.2170.70000110.4A303 F406 L407 L432 A434A303-V305 PolarHBondContact O-N 2.89Å; V305-F406 HydrophobicContact CG2-CD1 4.3Å; V305-F406 HydrophobicContact CG2-CE1 4.22Å; V305-L407 WeakPolarHBondContact CG1-O 3.23Å; V305-L432 HydrophobicContact CG1-CB 3.96Å; V305-L432 WeakPolarHBondContact CG1-O 3.18Å; V305-A434 HydrophobicContact CB-CB 4.37Å; V305-A434 HydrophobicContact CG2-CB 4.26Å
306T91.7Very high74.1Confident67 Ų6759.1 Ų59.141%0.41132%0.324SS..  trans-135.8162.7175.964.80000110.5N304 N331 A333N304-T306 PolarHBondContact O-N 2.68Å; T306-N331 CarbonylContact C-O 3.59Å; T306-N331 WeakPolarHBondContact CB-O 3.43Å; T306-N331 PolarHBondContact OG1-O 2.66Å; T306-A333 PolarHBondContact OG1-N 3.41Å; T306-A333 VanDerWaalsContact OG1-N 3.14Å
307G94.5Very high76.6Confident17 Ų1759.8 Ų59.818%0.17533%0.334CS..  trans93.6-178.917000000114.4K330 N331 L432G307-K330 CarbonylContact C-O 3.56Å; G307-K330 WeakPolarHBondContact CA-O 3.03Å; G307-N331 VanDerWaalsContact CA-O 3.25Å; G307-N331 WeakPolarHBondContact CA-O 3.47Å; G307-N331 PolarHBondContact N-O 2.77Å; G307-L432 WeakPolarHBondContact O-CB 3.1Å; G307-L432 PolarHBondContact O-N 2.86Å
308E97.5Very high79.2Confident59 Ų5962.1 Ų62.128%0.27634%0.34SS..EExtended strand (participates in β ladder)trans-135.5154-173.9-49.4-165.795.700110C329 K330 W429 Y430E308-C329 CarbonylContact O-C 3.49Å; E308-C329 WeakPolarHBondContact O-CA 3.46Å; E308-C329 WeakPolarHBondContact O-CB 3.49Å; E308-K330 HydrophobicContact CB-CG 4.36Å; E308-K330 PolarHBondContact N-O 2.94Å; E308-K330 PolarHBondContact O-N 3.26Å; E308-K330 WeakPolarHBondContact OE2-CE 3.45Å; E308-K330 IonicContact OE2-NZ 3.51Å; E308-K330 PolarHBondContact OE2-NZ 3.33Å; E308-W429 HydrophobicContact CB-CE3 3.65Å; E308-W429 HydrophobicContact CB-CZ3 4.1Å; E308-Y430 CarbonylContact C-O 3.38Å; E308-Y430 WeakPolarHBondContact CA-O 3.48Å
309I98.2Very high81.8Confident0 Ų062.2 Ų62.20%033%0.333CS..EExtended strand (participates in β ladder)trans-120.6134.7175.4-177.8167.9000110.2F311 I326 C329 V346 V393 V395 V410 Y430 L432I309-F311 HydrophobicContact CD1-CD1 4.47Å; I309-F311 HydrophobicContact CG1-CD1 4.12Å; I309-F311 HydrophobicContact CG2-CD1 4.15Å; I309-F311 HydrophobicContact CG2-CE1 4.06Å; I309-I326 HydrophobicContact CD1-CG2 4.38Å; I309-C329 VanDerWaalsContact CG1-SG 3.57Å; I309-V346 HydrophobicContact CD1-CG1 4.08Å; I309-V346 HydrophobicContact CD1-CG2 3.83Å; I309-V393 HydrophobicContact CD1-CG1 3.82Å; I309-V395 HydrophobicContact CD1-CG2 3.97Å; I309-V410 HydrophobicContact CG2-CG2 3.78Å; I309-Y430 PolarHBondContact N-O 2.83Å; I309-Y430 PolarHBondContact O-N 2.84Å; I309-L432 HydrophobicContact CB-CD2 4.14Å; I309-L432 HydrophobicContact CG2-CD2 3.64Å; I309-L432 HydrophobicContact CG2-CG 4.35Å
310E97.8Very high84.4Confident44 Ų4456.7 Ų56.721%0.20631%0.307CS..EExtended strand (participates in β ladder)trans-101126.5173.1-166.7-173.8-120.400110.4K327 T328 A427 R428 W429E310-K327 HydrophobicContact CB-CB 4.14Å; E310-K327 HydrophobicContact CG-CB 4.15Å; E310-K327 WeakPolarHBondContact O-CB 3.26Å; E310-K327 PolarHBondContact O-N 2.66Å; E310-K327 WeakPolarHBondContact OE2-CB 3.37Å; E310-T328 HydrophobicContact CB-CG2 4.03Å; E310-T328 PolarHBondContact N-O 2.71Å; E310-A427 HydrophobicContact CG-CB 3.99Å; E310-R428 WeakPolarHBondContact CA-O 3.31Å; E310-W429 HydrophobicContact CB-CD2 3.77Å; E310-W429 HydrophobicContact CB-CE3 3.89Å; E310-W429 HydrophobicContact CB-CG 4.38Å; E310-W429 HydrophobicContact CB-CH2 4Å; E310-W429 HydrophobicContact CB-CZ2 3.82Å; E310-W429 HydrophobicContact CB-CZ3 3.99Å; E310-W429 HydrophobicContact CG-CD2 4.2Å; E310-W429 HydrophobicContact CG-CG 4.39Å; E310-W429 HydrophobicContact CG-CZ2 4.33Å; E310-W429 PolarHBondContact OE1-NE1 2.78Å
311F97.1Very high86.5Confident1 Ų152.7 Ų52.70%0.00429%0.29CS..EExtended strand (participates in β ladder)trans-153.8159.317263.8-84.2000112.6I309 I313 I324 C325 I326 L391 V393 V410 L412 R428 Y430I309-F311 HydrophobicContact CD1-CD1 4.47Å; I309-F311 HydrophobicContact CG1-CD1 4.12Å; I309-F311 HydrophobicContact CG2-CD1 4.15Å; I309-F311 HydrophobicContact CG2-CE1 4.06Å; F311-I313 HydrophobicContact CD2-CG1 4.03Å; F311-I313 HydrophobicContact CE2-CD1 4.02Å; F311-I313 HydrophobicContact CE2-CG1 3.91Å; F311-I324 HydrophobicContact CD2-CG2 3.9Å; F311-C325 CarbonylContact C-O 3.55Å; F311-C325 WeakPolarHBondContact CA-O 3.17Å; F311-C325 VanDerWaalsContact CB-O 3.23Å; F311-C325 WeakPolarHBondContact CB-O 3.36Å; F311-I326 HydrophobicContact CB-CD1 3.95Å; F311-I326 HydrophobicContact CG-CD1 4.4Å; F311-L391 HydrophobicContact CE2-CD2 4.17Å; F311-V393 HydrophobicContact CE1-CB 4.38Å; F311-V393 HydrophobicContact CE1-CG1 4.36Å; F311-V393 HydrophobicContact CE1-CG2 4.2Å; F311-V393 HydrophobicContact CE2-CG2 3.95Å; F311-V393 HydrophobicContact CZ-CB 4.34Å; F311-V393 HydrophobicContact CZ-CG2 3.74Å; F311-V410 HydrophobicContact CZ-CG1 4.4Å; F311-L412 HydrophobicContact CE2-CD1 3.87Å; F311-L412 HydrophobicContact CZ-CD1 3.67Å; F311-R428 PolarHBondContact N-O 2.78Å; F311-R428 VanDerWaalsContact N-O 3.14Å; F311-R428 PolarHBondContact O-N 2.96Å; F311-Y430 AromaticContact CD1-CD2 3.77Å; F311-Y430 HydrophobicContact CD1-CD2 3.77Å; F311-Y430 HydrophobicContact CD1-CE2 4.23Å; F311-Y430 AromaticContact CE1-CD2 3.25Å; F311-Y430 HydrophobicContact CE1-CD2 3.25Å; F311-Y430 AromaticContact CE1-CE2 3.81Å; F311-Y430 HydrophobicContact CE1-CE2 3.81Å; F311-Y430 AromaticContact CE1-CG 3.9Å; F311-Y430 HydrophobicContact CE1-CG 3.9Å; F311-Y430 HydrophobicContact CE2-CD2 4.45Å; F311-Y430 HydrophobicContact CE2-CE2 4.18Å; F311-Y430 AromaticContact CZ-CD2 3.66Å; F311-Y430 HydrophobicContact CZ-CD2 3.66Å; F311-Y430 AromaticContact CZ-CE2 3.78Å; F311-Y430 HydrophobicContact CZ-CE2 3.78Å; F311-Y430 HydrophobicContact CZ-CG 4.26Å
312A94.5Very high88.4Confident4 Ų449.1 Ų49.13%0.03327%0.27CS..EExtended strand (participates in β ladder)trans-113.1152.7171.900000110.8I324 C325 Q425 A427A312-I324 WeakPolarHBondContact O-CA 3.4Å; A312-C325 HydrophobicContact CB-CB 4.24Å; A312-C325 PolarHBondContact N-O 2.78Å; A312-C325 PolarHBondContact O-N 2.86Å; A312-Q425 WeakPolarHBondContact CB-O 3.17Å; A312-A427 HydrophobicContact CB-CB 4.23Å
313I94.3Very high90.2Very high0 Ų046.7 Ų46.70%026%0.257CS..EExtended strand (participates in β ladder)trans-124.1122174-46.4176000109F311 L322 E323 L391 L412 L414 W417 F419F311-I313 HydrophobicContact CD2-CG1 4.03Å; F311-I313 HydrophobicContact CE2-CD1 4.02Å; F311-I313 HydrophobicContact CE2-CG1 3.91Å; I313-L322 HydrophobicContact CG2-CD1 3.6Å; I313-L322 HydrophobicContact CG2-CG 4.29Å; I313-E323 WeakPolarHBondContact CA-O 3.33Å; I313-L391 HydrophobicContact CD1-CD2 3.65Å; I313-L391 HydrophobicContact CG1-CD2 4.11Å; I313-L412 HydrophobicContact CD1-CD1 3.93Å; I313-L414 HydrophobicContact CD1-CD2 4.38Å; I313-W417 HydrophobicContact CB-CH2 4.39Å; I313-W417 HydrophobicContact CB-CZ2 3.67Å; I313-W417 HydrophobicContact CD1-CD2 3.99Å; I313-W417 HydrophobicContact CD1-CE3 3.91Å; I313-W417 HydrophobicContact CD1-CH2 3.73Å; I313-W417 HydrophobicContact CD1-CZ2 3.81Å; I313-W417 HydrophobicContact CD1-CZ3 3.79Å; I313-W417 HydrophobicContact CG1-CH2 4.02Å; I313-W417 HydrophobicContact CG1-CZ2 3.81Å; I313-F419 HydrophobicContact CG2-CE1 4.11Å
314H91.3Very high91.8Very high63 Ų6345.9 Ų45.929%0.29225%0.25SC..EExtended strand (participates in β ladder)trans-121.8152.1175.4-51.9-91.7000109.9E323 Q425H314-E323 PolarHBondContact N-O 2.98Å; H314-E323 PolarHBondContact O-N 2.79Å; H314-Q425 PolarHBondContact CE1-O 3.15Å; H314-Q425 PolarHBondContact ND1-OE1 3.48Å; H314-Q425 PolarHBondContact NE2-O 2.93Å
315Y91.3Very high92.7Very high25 Ų2539.8 Ų39.810%0.09822%0.219CC..EExtended strand (participates in β ladder)trans-121.9112.6169.3-173.7-96000110.6V317 C320 L322 V381 P383 L386 F419Y315-V317 HydrophobicContact CD1-CG2 3.92Å; Y315-V317 HydrophobicContact CE1-CB 4.47Å; Y315-V317 HydrophobicContact CE1-CG2 4.06Å; Y315-V317 PolarHBondContact O-N 3.2Å; Y315-C320 VanDerWaalsContact OH-CA 3.29Å; Y315-C320 WeakPolarHBondContact OH-CA 3.27Å; Y315-L322 HydrophobicContact CD2-CB 4.04Å; Y315-L322 HydrophobicContact CD2-CD1 4.22Å; Y315-V381 HydrophobicContact CE2-CG1 4.05Å; Y315-V381 WeakPolarHBondContact CE2-O 3.5Å; Y315-V381 PolarHBondContact OH-O 2.93Å; Y315-P383 HydrophobicContact CE1-CB 4.22Å; Y315-P383 HydrophobicContact CE1-CG 3.85Å; Y315-P383 VanDerWaalsContact OH-CD 3.23Å; Y315-P383 WeakPolarHBondContact OH-CD 3.46Å; Y315-P383 WeakPolarHBondContact OH-CG 3.42Å; Y315-L386 HydrophobicContact CD1-CD1 4.29Å; Y315-L386 HydrophobicContact CD2-CD1 3.66Å; Y315-L386 HydrophobicContact CD2-CD2 4.11Å; Y315-L386 HydrophobicContact CD2-CG 4.43Å; Y315-L386 HydrophobicContact CE1-CD1 4.45Å; Y315-L386 HydrophobicContact CE2-CD1 3.85Å; Y315-L386 HydrophobicContact CE2-CD2 4.19Å; Y315-L386 HydrophobicContact CE2-CG 4.36Å; Y315-L386 HydrophobicContact CG-CD1 3.89Å; Y315-F419 VanDerWaalsContact CB-CD1 3.47Å
316C89.5Confident93.3Very high48 Ų4838.2 Ų38.232%0.32421%0.209SC..EExtended strand (participates in β ladder)trans-87101.8176.1-167.10000109.9K318 S319 C320 S321C316-K318 VanDerWaalsContact C-N 3.28Å; C316-K318 PolarHBondContact O-N 3.17Å; C316-S319 WeakPolarHBondContact CB-OG 3.43Å; C316-S319 PolarHBondContact O-N 2.91Å; C316-S319 PolarHBondContact SG-OG 3.25Å; C316-C320 PolarHBondContact O-N 2.89Å; C316-C320 VanDerWaalsContact O-N 3.08Å; C316-S321 PolarHBondContact N-O 3.26Å; C316-S321 PolarHBondContact O-N 3.24Å; C316-S321 VanDerWaalsContact O-N 3.09Å
317V87Confident93.5Very high103 Ų10338.6 Ų38.662%0.62421%0.205SC*.G310 helixtrans-58.3-39.4179.2-177.10000111.8Y315 S319 C320Y315-V317 HydrophobicContact CD1-CG2 3.92Å; Y315-V317 HydrophobicContact CE1-CB 4.47Å; Y315-V317 HydrophobicContact CE1-CG2 4.06Å; Y315-V317 PolarHBondContact O-N 3.2Å; V317-S319 PolarHBondContact O-N 3.3Å; V317-C320 PolarHBondContact O-N 3.01Å
318K87.2Confident93.7Very high210 Ų21039 Ų3991%0.91320%0.204SC*.G310 helixtrans-61.9-28.7-178-65.9-176.5178.91800113.8C316C316-K318 VanDerWaalsContact C-N 3.28Å; C316-K318 PolarHBondContact O-N 3.17Å
319S86.9Confident93.7Very high51 Ų5136.1 Ų36.136%0.35719%0.191SC..G310 helixtrans-117.113.8-178.752.70000113.4C316 V317 S321 Q380C316-S319 WeakPolarHBondContact CB-OG 3.43Å; C316-S319 PolarHBondContact O-N 2.91Å; C316-S319 PolarHBondContact SG-OG 3.25Å; V317-S319 PolarHBondContact O-N 3.3Å; S319-S321 PolarHBondContact O-N 3.16Å; S319-S321 VanDerWaalsContact O-N 3.12Å; S319-S321 PolarHBondContact OG-OG 2.82Å; S319-Q380 PolarHBondContact O-NE2 3.1Å; S319-Q380 PolarHBondContact O-OE1 2.88Å
320C90.4Very high93.6Very high53 Ų5339.3 Ų39.336%0.35820%0.204SC..THydrogen-bonded Turntrans41.445.3-174.8-59.60000113.1Y315 C316 V317 V381Y315-C320 VanDerWaalsContact OH-CA 3.29Å; Y315-C320 WeakPolarHBondContact OH-CA 3.27Å; C316-C320 PolarHBondContact O-N 2.89Å; C316-C320 VanDerWaalsContact O-N 3.08Å; V317-C320 PolarHBondContact O-N 3.01Å; C320-V381 CarbonylContact C-O 3.53Å; C320-V381 PolarHBondContact O-N 3.43Å
321S91.9Very high93.5Very high3 Ų342.2 Ų42.22%0.02122%0.221CC..EExtended strand (participates in β ladder)trans-127.7125-168.362.10000114.7C316 S319 E323 Y379C316-S321 PolarHBondContact N-O 3.26Å; C316-S321 PolarHBondContact O-N 3.24Å; C316-S321 VanDerWaalsContact O-N 3.09Å; S319-S321 PolarHBondContact O-N 3.16Å; S319-S321 VanDerWaalsContact O-N 3.12Å; S319-S321 PolarHBondContact OG-OG 2.82Å; S321-E323 PolarHBondContact OG-OE1 2.71Å; S321-Y379 CarbonylContact C-O 3.58Å; S321-Y379 WeakPolarHBondContact CA-O 3.37Å; S321-Y379 WeakPolarHBondContact CB-O 3.42Å
322L93.4Very high93.5Very high0 Ų042.3 Ų42.30%022%0.222CC..EExtended strand (participates in β ladder)trans-82.1122.7168.1-174.975.7000109.1I313 Y315 I324 L350 K378 Y379 V381 L386 L414 F419I313-L322 HydrophobicContact CG2-CD1 3.6Å; I313-L322 HydrophobicContact CG2-CG 4.29Å; Y315-L322 HydrophobicContact CD2-CB 4.04Å; Y315-L322 HydrophobicContact CD2-CD1 4.22Å; L322-I324 HydrophobicContact CD2-CD1 4.07Å; L322-I324 HydrophobicContact CG-CD1 3.98Å; L322-L350 HydrophobicContact CD2-CD1 3.97Å; L322-K378 WeakPolarHBondContact O-CA 3.5Å; L322-Y379 PolarHBondContact N-O 2.75Å; L322-Y379 PolarHBondContact O-N 3.09Å; L322-V381 HydrophobicContact CB-CG1 3.76Å; L322-L386 HydrophobicContact CB-CD2 4.48Å; L322-L386 HydrophobicContact CD1-CD2 4.15Å; L322-L386 HydrophobicContact CD2-CD2 4.44Å; L322-L414 HydrophobicContact CD1-CD1 4.5Å; L322-L414 HydrophobicContact CD2-CD1 3.58Å; L322-F419 HydrophobicContact CD1-CE1 3.56Å; L322-F419 HydrophobicContact CD1-CZ 3.97Å
323E94.3Very high93.5Very high35 Ų3542.7 Ų42.716%0.16423%0.225CC..EExtended strand (participates in β ladder)trans-115.8123.6-176.9-53.1-157.417900110.2I313 H314 S321 T376 K378I313-E323 WeakPolarHBondContact CA-O 3.33Å; H314-E323 PolarHBondContact N-O 2.98Å; H314-E323 PolarHBondContact O-N 2.79Å; S321-E323 PolarHBondContact OG-OE1 2.71Å; E323-T376 HydrophobicContact CB-CG2 3.86Å; E323-K378 HydrophobicContact CG-CD 4.07Å; E323-K378 HydrophobicContact CG-CG 4.03Å; E323-K378 WeakPolarHBondContact OE1-CD 3.47Å; E323-K378 VanDerWaalsContact OE1-CE 3.3Å; E323-K378 WeakPolarHBondContact OE1-CE 3.39Å; E323-K378 IonicContact OE1-NZ 2.8Å; E323-K378 PolarHBondContact OE1-NZ 3.36Å; E323-K378 WeakPolarHBondContact OE2-CE 3.26Å; E323-K378 IonicContact OE2-NZ 2.66Å; E323-K378 PolarHBondContact OE2-NZ 2.91Å
324I95.8Very high93.4Very high0 Ų045.2 Ų45.20%024%0.235CC..EExtended strand (participates in β ladder)trans-111.7105.8179.7-56.978.6000107.3F311 A312 L322 I326 T376 L377 Y379 L391F311-I324 HydrophobicContact CD2-CG2 3.9Å; A312-I324 WeakPolarHBondContact O-CA 3.4Å; L322-I324 HydrophobicContact CD2-CD1 4.07Å; L322-I324 HydrophobicContact CG-CD1 3.98Å; I324-I326 HydrophobicContact CG2-CD1 3.7Å; I324-I326 PolarHBondContact O-N 2.8Å; I324-T376 WeakPolarHBondContact O-CA 3.18Å; I324-L377 WeakPolarHBondContact CD1-O 3.49Å; I324-L377 PolarHBondContact N-O 3.02Å; I324-L377 PolarHBondContact O-N 3.32Å; I324-Y379 HydrophobicContact CD1-CD2 3.52Å; I324-Y379 HydrophobicContact CD1-CE2 3.68Å; I324-L391 HydrophobicContact CD1-CD1 4.17Å; I324-L391 HydrophobicContact CG1-CD1 3.92Å; I324-L391 HydrophobicContact CG1-CD2 3.66Å; I324-L391 HydrophobicContact CG1-CG 4.47Å; I324-L391 HydrophobicContact CG2-CD2 4.3Å
325C96.2Very high93.2Very high19 Ų1942.6 Ų42.613%0.12823%0.225CC..EExtended strand (participates in β ladder)trans-87.8101.2179.4-171.70000109.2F311 A312 K327F311-C325 CarbonylContact C-O 3.55Å; F311-C325 WeakPolarHBondContact CA-O 3.17Å; F311-C325 VanDerWaalsContact CB-O 3.23Å; F311-C325 WeakPolarHBondContact CB-O 3.36Å; A312-C325 HydrophobicContact CB-CB 4.24Å; A312-C325 PolarHBondContact N-O 2.78Å; A312-C325 PolarHBondContact O-N 2.86Å; C325-K327 PolarHBondContact O-N 3.48Å
326I97.9Very high93Very high0 Ų042.8 Ų42.80%023%0.227CC..EExtended strand (participates in β ladder)trans-79.6114.4177-54.5-59.4000108.2I309 F311 I324 V346 T348 T362 F373 E374 E375 L377 V393I309-I326 HydrophobicContact CD1-CG2 4.38Å; F311-I326 HydrophobicContact CB-CD1 3.95Å; F311-I326 HydrophobicContact CG-CD1 4.4Å; I324-I326 HydrophobicContact CG2-CD1 3.7Å; I324-I326 PolarHBondContact O-N 2.8Å; I326-V346 HydrophobicContact CD1-CG1 4.08Å; I326-V346 HydrophobicContact CG1-CG1 4.39Å; I326-V346 HydrophobicContact CG2-CB 4.34Å; I326-V346 HydrophobicContact CG2-CG2 3.85Å; I326-T348 HydrophobicContact CD1-CG2 4.43Å; I326-T362 HydrophobicContact CB-CG2 4.1Å; I326-T362 HydrophobicContact CG1-CG2 4.04Å; I326-T362 HydrophobicContact CG2-CG2 4.2Å; I326-F373 HydrophobicContact CG2-CB 3.97Å; I326-F373 HydrophobicContact CG2-CD2 3.75Å; I326-F373 HydrophobicContact CG2-CG 4.07Å; I326-E374 VanDerWaalsContact O-CA 3.31Å; I326-E374 WeakPolarHBondContact O-CA 3.46Å; I326-E374 PolarHBondContact O-N 3.48Å; I326-E375 PolarHBondContact N-O 2.96Å; I326-E375 PolarHBondContact O-N 3.42Å; I326-L377 HydrophobicContact CG1-CD1 4.05Å; I326-L377 HydrophobicContact CG1-CG 4.35Å; I326-V393 HydrophobicContact CD1-CG1 4.15Å
327K97.2Very high92.7Very high75 Ų7546.6 Ų46.633%0.32624%0.24SC..EExtended strand (participates in β ladder)trans-87.9-76.1-177.8-69.5-66.3-168.3170.20111E310 C325 F373 E374 A427E310-K327 HydrophobicContact CB-CB 4.14Å; E310-K327 HydrophobicContact CG-CB 4.15Å; E310-K327 WeakPolarHBondContact O-CB 3.26Å; E310-K327 PolarHBondContact O-N 2.66Å; E310-K327 WeakPolarHBondContact OE2-CB 3.37Å; C325-K327 PolarHBondContact O-N 3.48Å; K327-F373 PolarHBondContact O-N 3.39Å; K327-E374 PolarHBondContact O-N 3.33Å; K327-A427 HydrophobicContact CG-CB 4.02Å
328T97.8Very high92.6Very high25 Ų2551.9 Ų51.915%0.15325%0.254CS..EExtended strand (participates in β ladder)trans-149.5167.5-174.6-175.40000111.4E310 P371 W429E310-T328 HydrophobicContact CB-CG2 4.03Å; E310-T328 PolarHBondContact N-O 2.71Å; T328-P371 CarbonylContact C-O 3.45Å; T328-P371 VanDerWaalsContact CA-O 3.24Å; T328-P371 WeakPolarHBondContact CA-O 3.45Å; T328-P371 PolarHBondContact OG1-O 3.41Å; T328-W429 HydrophobicContact CG2-CH2 3.55Å; T328-W429 HydrophobicContact CG2-CZ2 3.79Å; T328-W429 HydrophobicContact CG2-CZ3 4.5Å
329C98.2Very high92.6Very high0 Ų047 Ų470%023%0.233CC..EExtended strand (participates in β ladder)trans-122.8162.1160.7-51.20000109.4E308 I309 L332 D370 P371E308-C329 CarbonylContact O-C 3.49Å; E308-C329 WeakPolarHBondContact O-CA 3.46Å; E308-C329 WeakPolarHBondContact O-CB 3.49Å; I309-C329 VanDerWaalsContact CG1-SG 3.57Å; C329-L332 HydrophobicContact CB-CD1 3.89Å; C329-L332 HydrophobicContact CB-CD2 3.89Å; C329-L332 HydrophobicContact CB-CG 3.9Å; C329-D370 CarbonylContact O-C 3.58Å; C329-D370 WeakPolarHBondContact O-CA 3.43Å; C329-P371 HydrophobicContact CB-CG 3.82Å; C329-P371 PolarHBondContact N-O 3.02Å; C329-P371 VanDerWaalsContact N-O 3.1Å
330K96.9Very high92.8Very high66 Ų6652.6 Ų52.629%0.28725%0.246SC..EExtended strand (participates in β ladder)trans-137.6154.2171.769.6-170.2171176.40111.7G307 E308 L332 D370 W429G307-K330 CarbonylContact C-O 3.56Å; G307-K330 WeakPolarHBondContact CA-O 3.03Å; E308-K330 HydrophobicContact CB-CG 4.36Å; E308-K330 PolarHBondContact N-O 2.94Å; E308-K330 PolarHBondContact O-N 3.26Å; E308-K330 WeakPolarHBondContact OE2-CE 3.45Å; E308-K330 IonicContact OE2-NZ 3.51Å; E308-K330 PolarHBondContact OE2-NZ 3.33Å; K330-L332 VanDerWaalsContact C-N 3.26Å; K330-L332 PolarHBondContact O-N 3.4Å; K330-D370 WeakPolarHBondContact CA-OD1 3.12Å; K330-D370 WeakPolarHBondContact CB-OD1 3.46Å; K330-W429 HydrophobicContact CB-CH2 4.12Å; K330-W429 HydrophobicContact CB-CZ3 4.18Å; K330-W429 HydrophobicContact CD-CE3 4.13Å; K330-W429 HydrophobicContact CD-CH2 3.61Å; K330-W429 HydrophobicContact CD-CZ2 4.21Å; K330-W429 HydrophobicContact CD-CZ3 3.6Å; K330-W429 HydrophobicContact CG-CE3 4.36Å; K330-W429 HydrophobicContact CG-CH2 3.86Å; K330-W429 HydrophobicContact CG-CZ3 3.57Å
331N95.6Very high92.9Very high105 Ų10554.5 Ų54.556%0.56125%0.248SC*.SBendtrans55.333.4175.4-62.1-31.8000114.6T306 G307 D370T306-N331 CarbonylContact C-O 3.59Å; T306-N331 WeakPolarHBondContact CB-O 3.43Å; T306-N331 PolarHBondContact OG1-O 2.66Å; G307-N331 VanDerWaalsContact CA-O 3.25Å; G307-N331 WeakPolarHBondContact CA-O 3.47Å; G307-N331 PolarHBondContact N-O 2.77Å; N331-D370 PolarHBondContact N-OD1 3.24Å
332L96.4Very high93Very high4 Ų454.4 Ų54.42%0.02125%0.248CC..PPolyproline II helixtrans-63.9152177.5-64.9-179.9000112.2C329 K330 P344 L369 P371 V395 L432C329-L332 HydrophobicContact CB-CD1 3.89Å; C329-L332 HydrophobicContact CB-CD2 3.89Å; C329-L332 HydrophobicContact CB-CG 3.9Å; K330-L332 VanDerWaalsContact C-N 3.26Å; K330-L332 PolarHBondContact O-N 3.4Å; L332-P344 HydrophobicContact CD1-CB 3.6Å; L332-P344 HydrophobicContact CD1-CG 4.04Å; L332-L369 HydrophobicContact CB-CB 4.48Å; L332-L369 VanDerWaalsContact CB-O 3.29Å; L332-L369 WeakPolarHBondContact CB-O 3.23Å; L332-L369 WeakPolarHBondContact CG-O 3.47Å; L332-L369 PolarHBondContact N-O 3.23Å; L332-L369 WeakPolarHBondContact O-CD2 3.4Å; L332-P371 HydrophobicContact CD1-CG 3.74Å; L332-V395 HydrophobicContact CD1-CG1 4.01Å; L332-V395 HydrophobicContact CD2-CG1 4.09Å; L332-L432 HydrophobicContact CD2-CD1 3.28Å
333A93.5Very high93.1Very high11 Ų1156 Ų569%0.09126%0.256CS..PPolyproline II helixtrans-70.8155.6171.900000112.6A303 N304 T306 G335 C342 L407A303-A333 HydrophobicContact CB-CB 4.06Å; N304-A333 WeakPolarHBondContact O-CB 3.21Å; T306-A333 PolarHBondContact OG1-N 3.41Å; T306-A333 VanDerWaalsContact OG1-N 3.14Å; A333-G335 PolarHBondContact O-N 2.68Å; A333-C342 PolarHBondContact O-SG 3.06Å; A333-L407 HydrophobicContact CB-CD2 4.33Å
334Y92.6Very high93.3Very high54 Ų5454.4 Ų54.421%0.21225%0.249CC..PPolyproline II helixtrans-71.2128.3169-64.4-71.6000110.4R340 L369Y334-R340 HydrophobicContact CD1-CB 4.11Å; Y334-R340 WeakPolarHBondContact CD1-O 3.46Å; Y334-R340 HydrophobicContact CE1-CB 3.81Å; Y334-R340 WeakPolarHBondContact CE1-O 3.25Å; Y334-R340 HydrophobicContact CE2-CB 4.46Å; Y334-R340 HydrophobicContact CE2-CG 4.46Å; Y334-R340 PolarHBondContact OH-NE 2.8Å; Y334-R340 PolarHBondContact OH-NH2 2.79Å; Y334-L369 HydrophobicContact CD1-CD2 3.74Å; Y334-L369 HydrophobicContact CE1-CD1 3.99Å; Y334-L369 HydrophobicContact CE1-CD2 3.76Å; Y334-L369 HydrophobicContact CE1-CG 4.18Å; Y334-L369 HydrophobicContact CE2-CD1 4.36Å; Y334-L369 HydrophobicContact CG-CD2 4.41Å
335G86.7Confident93.4Very high8 Ų855 Ų558%0.08225%0.251CS..SBendtrans-85.6-15.3174.700000114.3A333 K341 H397 V405A333-G335 PolarHBondContact O-N 2.68Å; G335-K341 PolarHBondContact N-O 3.25Å; G335-H397 WeakPolarHBondContact CA-ND1 3.47Å; G335-V405 WeakPolarHBondContact O-CG2 3.38Å
336E87.5Confident93.5Very high29 Ų2954 Ų5414%0.13625%0.245CC..BIsolated β-bridgetrans-128.281.8164.9-75.2-172-157.600109K338 K339 R340 K341 G399 T400E336-K338 PolarHBondContact O-N 2.9Å; E336-K339 HydrophobicContact CB-CB 4.44Å; E336-K339 CarbonylContact O-C 3.56Å; E336-K339 PolarHBondContact O-N 3.42Å; E336-K339 WeakPolarHBondContact OE2-CD 3.45Å; E336-K339 WeakPolarHBondContact OE2-CE 3.39Å; E336-K339 IonicContact OE2-NZ 3.51Å; E336-K339 PolarHBondContact OE2-NZ 2.86Å; E336-R340 PolarHBondContact O-N 2.88Å; E336-K341 HydrophobicContact CB-CB 4.42Å; E336-K341 PolarHBondContact N-O 3.24Å; E336-K341 PolarHBondContact O-N 3.04Å; E336-G399 WeakPolarHBondContact OE1-CA 3.26Å; E336-T400 PolarHBondContact OE1-N 3.09Å; E336-T400 PolarHBondContact OE1-OG1 3.28Å
337E84Confident93.4Very high128 Ų12854.7 Ų54.760%0.59825%0.248SC*.G310 helixtrans-47.2-52.5-176.6-164.761.1-145.900112.8K339 R340E337-K339 PolarHBondContact O-N 2.92Å; E337-R340 PolarHBondContact O-N 2.84Å
338K84.9Confident93.4Very high213 Ų21351.1 Ų51.193%0.92623%0.232SC*.G310 helixtrans-57.6-20179.9-63.3-171.3178.7-172.90114.8E336E336-K338 PolarHBondContact O-N 2.9Å
339K87.6Confident93.2Very high108 Ų10850.7 Ų50.747%0.4723%0.228SC..G310 helixtrans-112-2.1177.5-54.2-160.6-168.7109.20112.7E336 E337 K341E336-K339 HydrophobicContact CB-CB 4.44Å; E336-K339 CarbonylContact O-C 3.56Å; E336-K339 PolarHBondContact O-N 3.42Å; E336-K339 WeakPolarHBondContact OE2-CD 3.45Å; E336-K339 WeakPolarHBondContact OE2-CE 3.39Å; E336-K339 IonicContact OE2-NZ 3.51Å; E336-K339 PolarHBondContact OE2-NZ 2.86Å; E337-K339 PolarHBondContact O-N 2.92Å; K339-K341 HydrophobicContact CB-CB 4.44Å; K339-K341 HydrophobicContact CB-CD 4.22Å; K339-K341 HydrophobicContact CB-CG 3.91Å; K339-K341 WeakPolarHBondContact O-CG 3.17Å; K339-K341 PolarHBondContact O-N 3.46Å
340R90.5Very high92.9Very high169 Ų16951.2 Ų51.264%0.63823%0.231SC*.THydrogen-bonded Turntrans46.443.5-168.6-61.5-173.166.3152.90.6112.7Y334 E336 E337Y334-R340 HydrophobicContact CD1-CB 4.11Å; Y334-R340 WeakPolarHBondContact CD1-O 3.46Å; Y334-R340 HydrophobicContact CE1-CB 3.81Å; Y334-R340 WeakPolarHBondContact CE1-O 3.25Å; Y334-R340 HydrophobicContact CE2-CB 4.46Å; Y334-R340 HydrophobicContact CE2-CG 4.46Å; Y334-R340 PolarHBondContact OH-NE 2.8Å; Y334-R340 PolarHBondContact OH-NH2 2.79Å; E336-R340 PolarHBondContact O-N 2.88Å; E337-R340 PolarHBondContact O-N 2.84Å
341K92Very high92.4Very high93 Ų9348.3 Ų48.340%0.40422%0.218SC..BIsolated β-bridgetrans-107.7134.2-179.8-65.6-167.4177.7-173.70111.9G335 E336 K339 H397G335-K341 PolarHBondContact N-O 3.25Å; E336-K341 HydrophobicContact CB-CB 4.42Å; E336-K341 PolarHBondContact N-O 3.24Å; E336-K341 PolarHBondContact O-N 3.04Å; K339-K341 HydrophobicContact CB-CB 4.44Å; K339-K341 HydrophobicContact CB-CD 4.22Å; K339-K341 HydrophobicContact CB-CG 3.91Å; K339-K341 WeakPolarHBondContact O-CG 3.17Å; K339-K341 PolarHBondContact O-N 3.46Å; K341-H397 PolarHBondContact O-CE1 3.34Å
342C94.2Very high91.9Very high1 Ų145 Ų451%0.00720%0.202CC..  trans-128.8125.6164.7-157.40000111.5A333 P344 N367 T368 L369 H397 L407A333-C342 PolarHBondContact O-SG 3.06Å; C342-P344 VanDerWaalsContact C-CD 3.44Å; C342-P344 WeakPolarHBondContact O-CD 3.32Å; C342-N367 CarbonylContact O-C 3.39Å; C342-N367 WeakPolarHBondContact O-CA 3.48Å; C342-N367 PolarHBondContact O-N 2.85Å; C342-T368 WeakPolarHBondContact CB-O 3.32Å; C342-T368 PolarHBondContact O-N 3.16Å; C342-L369 HydrophobicContact CB-CD2 3.52Å; C342-H397 WeakPolarHBondContact CA-ND1 2.97Å; C342-L407 VanDerWaalsContact SG-CD1 3.53Å
343N96Very high91Very high34 Ų3445.3 Ų45.318%0.18220%0.204CC..  trans-11975.9173.2-56.6-48.3000108.4V364 Q365 K366 N367 H397 L398N343-V364 HydrophobicContact CB-CG1 3.92Å; N343-Q365 CarbonylContact C-O 3.51Å; N343-Q365 WeakPolarHBondContact CA-O 3.42Å; N343-K366 WeakPolarHBondContact OD1-CA 3.28Å; N343-N367 PolarHBondContact OD1-N 3.48Å; N343-H397 PolarHBondContact N-CE1 2.97Å; N343-H397 PolarHBondContact N-ND1 2.87Å; N343-L398 WeakPolarHBondContact CB-O 3.35Å; N343-L398 PolarHBondContact ND2-O 2.96Å; N343-L398 PolarHBondContact O-N 2.97Å
344P97.3Very high90.4Very high0 Ų049.9 Ų49.90%022%0.219CC..EExtended strand (participates in β ladder)trans-74.3147.2-169.230.3-36.9000112.9L332 C342 Q365 T368 P371 F373 V395 W396 L407L332-P344 HydrophobicContact CD1-CB 3.6Å; L332-P344 HydrophobicContact CD1-CG 4.04Å; C342-P344 VanDerWaalsContact C-CD 3.44Å; C342-P344 WeakPolarHBondContact O-CD 3.32Å; P344-Q365 WeakPolarHBondContact CD-O 3.37Å; P344-Q365 HydrophobicContact CG-CB 4.34Å; P344-Q365 PolarHBondContact O-N 2.85Å; P344-T368 WeakPolarHBondContact CD-O 3.35Å; P344-T368 HydrophobicContact CG-CG2 4.12Å; P344-P371 HydrophobicContact CB-CB 4.45Å; P344-P371 HydrophobicContact CB-CG 3.98Å; P344-P371 HydrophobicContact CG-CB 3.58Å; P344-P371 HydrophobicContact CG-CG 3.49Å; P344-P371 VanDerWaalsContact CG-CG 3.49Å; P344-F373 HydrophobicContact CB-CZ 4.36Å; P344-V395 HydrophobicContact CB-CG1 4.39Å; P344-W396 CarbonylContact C-O 3.17Å; P344-W396 VanDerWaalsContact CA-O 3.31Å; P344-W396 WeakPolarHBondContact CA-O 3.32Å; P344-L407 HydrophobicContact CB-CD1 4.43Å
345Y98Very high89.5Confident12 Ų1249.1 Ų49.15%0.04722%0.221CC..EExtended strand (participates in β ladder)trans-150.3151.6166.269.3-76.1000110.1K347 R363 V364 W396 L398 R404Y345-K347 HydrophobicContact CD2-CG 4.19Å; Y345-K347 HydrophobicContact CE2-CD 4.15Å; Y345-K347 HydrophobicContact CE2-CG 3.72Å; Y345-K347 WeakPolarHBondContact OH-CE 3.49Å; Y345-R363 VanDerWaalsContact CB-O 3.31Å; Y345-R363 WeakPolarHBondContact CB-O 3.35Å; Y345-V364 HydrophobicContact CD1-CG2 4.05Å; Y345-V364 HydrophobicContact CG-CG2 4.03Å; Y345-W396 HydrophobicContact CD1-CB 4.01Å; Y345-W396 WeakPolarHBondContact CD1-O 3.38Å; Y345-W396 HydrophobicContact CE1-CB 3.43Å; Y345-W396 VanDerWaalsContact CE1-CB 3.43Å; Y345-W396 WeakPolarHBondContact CE1-O 3.1Å; Y345-W396 HydrophobicContact CE2-CB 4.09Å; Y345-W396 VanDerWaalsContact CZ-CB 3.46Å; Y345-W396 PolarHBondContact N-O 2.78Å; Y345-W396 PolarHBondContact O-N 3.02Å; Y345-L398 HydrophobicContact CD1-CB 4.21Å; Y345-L398 HydrophobicContact CE1-CB 3.99Å; Y345-R404 VanDerWaalsContact OH-CD 3.3Å; Y345-R404 WeakPolarHBondContact OH-CD 3.29Å
346V98Very high88.6Confident0 Ų052.7 Ų52.70%025%0.245CC..EExtended strand (participates in β ladder)trans-99.4141.4-179.4-173.40000109.4I309 I326 T348 K361 T362 F373 V393 S394 V395I309-V346 HydrophobicContact CD1-CG1 4.08Å; I309-V346 HydrophobicContact CD1-CG2 3.83Å; I326-V346 HydrophobicContact CD1-CG1 4.08Å; I326-V346 HydrophobicContact CG1-CG1 4.39Å; I326-V346 HydrophobicContact CG2-CB 4.34Å; I326-V346 HydrophobicContact CG2-CG2 3.85Å; V346-T348 HydrophobicContact CG1-CG2 4.39Å; V346-K361 CarbonylContact O-C 3.49Å; V346-K361 WeakPolarHBondContact O-CA 3.26Å; V346-K361 WeakPolarHBondContact O-CB 3.5Å; V346-T362 HydrophobicContact CB-CG2 4.06Å; V346-T362 PolarHBondContact N-OG1 3.44Å; V346-T362 PolarHBondContact O-N 3.23Å; V346-F373 HydrophobicContact CG2-CD2 4.14Å; V346-F373 HydrophobicContact CG2-CE2 3.69Å; V346-F373 HydrophobicContact CG2-CZ 3.98Å; V346-V393 HydrophobicContact CG1-CG1 3.59Å; V346-S394 CarbonylContact C-O 3.57Å; V346-S394 WeakPolarHBondContact CA-O 3.46Å; V346-V395 HydrophobicContact CG2-CG2 4.35Å
347K96.7Very high87.9Confident13 Ų1355.4 Ų55.46%0.05726%0.258CS..EExtended strand (participates in β ladder)trans-118.2138.7164.7-55.6175.3-156.6155.40108.5Y345 K359 R360 K361 S394 W396Y345-K347 HydrophobicContact CD2-CG 4.19Å; Y345-K347 HydrophobicContact CE2-CD 4.15Å; Y345-K347 HydrophobicContact CE2-CG 3.72Å; Y345-K347 WeakPolarHBondContact OH-CE 3.49Å; K347-K359 HydrophobicContact CB-CD 4.36Å; K347-K359 HydrophobicContact CD-CD 3.96Å; K347-K359 HydrophobicContact CG-CD 4.23Å; K347-R360 WeakPolarHBondContact CA-O 3.26Å; K347-K361 HydrophobicContact CG-CB 4.41Å; K347-S394 PolarHBondContact N-O 3.34Å; K347-S394 PolarHBondContact O-N 3.48Å; K347-S394 PolarHBondContact O-OG 3.47Å; K347-S394 VanDerWaalsContact O-OG 3.08Å; K347-W396 HydrophobicContact CD-CD2 4.35Å; K347-W396 HydrophobicContact CD-CG 4.22Å; K347-W396 HydrophobicContact CD-CZ2 4.47Å; K347-W396 VanDerWaalsContact CE-CD1 3.46Å; K347-W396 VanDerWaalsContact CE-CG 3.49Å; K347-W396 HydrophobicContact CG-CG 4.49Å; K347-W396 VanDerWaalsContact NZ-CE3 3.28Å; K347-W396 VanDerWaalsContact NZ-CZ2 3.28Å
348T96.8Very high87.6Confident0 Ų049.4 Ų49.40%023%0.231CC..EExtended strand (participates in β ladder)trans-116.2154.2167.463.60000111.2I326 V346 R360 L377 Y379 Q392 V393I326-T348 HydrophobicContact CD1-CG2 4.43Å; V346-T348 HydrophobicContact CG1-CG2 4.39Å; T348-R360 PolarHBondContact N-O 2.71Å; T348-R360 PolarHBondContact O-N 2.84Å; T348-L377 HydrophobicContact CG2-CD1 3.86Å; T348-Y379 WeakPolarHBondContact CB-OH 3.45Å; T348-Y379 PolarHBondContact O-OH 2.92Å; T348-Y379 PolarHBondContact OG1-OH 3.32Å; T348-Q392 CarbonylContact C-O 3.5Å; T348-Q392 WeakPolarHBondContact CA-O 3.45Å; T348-V393 HydrophobicContact CG2-CB 4.27Å; T348-V393 HydrophobicContact CG2-CG1 4.04Å; T348-V393 HydrophobicContact CG2-CG2 3.95Å
349Y93.1Very high87.8Confident16 Ų1642.2 Ų42.26%0.06320%0.199CC..EExtended strand (participates in β ladder)trans-137.5145.9167.9-68.8-82.7000109.9E296 R354 K359 Y379 Q392E296-Y349 PolarHBondContact OE1-OH 3.41Å; Y349-R354 HydrophobicContact CE1-CB 4.46Å; Y349-R354 WeakPolarHBondContact CE1-O 3.27Å; Y349-K359 HydrophobicContact CD1-CB 4.03Å; Y349-K359 HydrophobicContact CE1-CB 3.53Å; Y349-K359 HydrophobicContact CE1-CD 4.37Å; Y349-K359 HydrophobicContact CE1-CG 4.18Å; Y349-K359 PolarHBondContact OH-NZ 2.83Å; Y349-Y379 WeakPolarHBondContact CA-OH 3.28Å; Y349-Y379 PolarHBondContact N-OH 3.17Å; Y349-Q392 PolarHBondContact N-O 3.22Å; Y349-Q392 PolarHBondContact O-N 2.78Å
350L92.3Very high88.2Confident12 Ų1240.4 Ų40.46%0.06319%0.189CC..EExtended strand (participates in β ladder)trans-100.894.3169.2-171.165.9000108.6L322 D353 Y379 V381 R389 L414L322-L350 HydrophobicContact CD2-CD1 3.97Å; L350-D353 PolarHBondContact O-N 2.85Å; L350-Y379 HydrophobicContact CB-CD1 3.66Å; L350-Y379 HydrophobicContact CB-CE1 3.66Å; L350-Y379 HydrophobicContact CB-CG 4.32Å; L350-Y379 HydrophobicContact CD2-CD1 4.19Å; L350-Y379 HydrophobicContact CD2-CG 4.39Å; L350-V381 HydrophobicContact CD2-CB 4.07Å; L350-V381 HydrophobicContact CD2-CG1 4.2Å; L350-V381 HydrophobicContact CD2-CG2 4.08Å; L350-R389 HydrophobicContact CD1-CB 3.69Å; L350-R389 HydrophobicContact CD1-CG 4.27Å; L350-R389 HydrophobicContact CD2-CG 4.37Å; L350-R389 HydrophobicContact CG-CB 4.06Å; L350-R389 HydrophobicContact CG-CG 4.15Å; L350-L414 HydrophobicContact CD1-CD1 3.62Å
351L87.2Confident88.5Confident5 Ų538.7 Ų38.73%0.02619%0.187CC..EExtended strand (participates in β ladder)trans-65.2144.1-174.4-62.4-177.8000111.4R354 R389 R390 Q392L351-R354 HydrophobicContact CD2-CG 3.45Å; L351-R354 VanDerWaalsContact CD2-CG 3.45Å; L351-R389 WeakPolarHBondContact O-CD 3.23Å; L351-R390 HydrophobicContact CB-CB 4.2Å; L351-R390 WeakPolarHBondContact CB-O 3.34Å; L351-R390 HydrophobicContact CD1-CB 4.36Å; L351-R390 PolarHBondContact N-O 2.7Å; L351-R390 PolarHBondContact O-N 2.74Å; L351-Q392 HydrophobicContact CD1-CB 4.06Å; L351-Q392 HydrophobicContact CG-CB 4.16Å
352P85.1Confident88.8Confident35 Ų3534.4 Ų34.423%0.22717%0.169CC..THydrogen-bonded Turncis-81.97.38.331.6-38000116.7R354 P490 R562P352-R354 PolarHBondContact O-N 3.09Å; P352-P490 HydrophobicContact CG-CB 3.99Å; P352-R562 PolarHBondContact O-NH2 2.68Å
353D77.3Confident88.9Confident10 Ų1043.7 Ų43.75%0.05320%0.203CC..  trans-8087.4-178.6-167.334.3000114.1L350 S355 G358 R562L350-D353 PolarHBondContact O-N 2.85Å; D353-S355 VanDerWaalsContact CG-OG 3.29Å; D353-S355 PolarHBondContact O-N 3.44Å; D353-S355 WeakPolarHBondContact OD1-CB 3.44Å; D353-S355 PolarHBondContact OD1-N 3.03Å; D353-S355 VanDerWaalsContact OD1-N 3.17Å; D353-S355 PolarHBondContact OD1-OG 2.84Å; D353-S355 PolarHBondContact OD2-OG 3.15Å; D353-G358 WeakPolarHBondContact OD2-CA 3.38Å; D353-G358 PolarHBondContact OD2-N 2.81Å; D353-R562 IonicContact OD1-CZ 2.97Å; D353-R562 IonicContact OD1-NH1 3.1Å; D353-R562 PolarHBondContact OD1-NH1 2.78Å
354R80.5Confident88.9Confident107 Ų10744.6 Ų44.640%0.40421%0.21SC..  trans-84.212.1169.2-59.8-161.4-175164.84114.3E296 Y349 L351 P352E296-R354 WeakPolarHBondContact OE2-CD 3.18Å; E296-R354 IonicContact OE2-CZ 3.4Å; E296-R354 IonicContact OE2-NE 2.84Å; E296-R354 IonicContact OE2-NH1 2.68Å; E296-R354 PolarHBondContact OE2-NH1 3.43Å; E296-R354 VanDerWaalsContact OE2-NH1 3.11Å; Y349-R354 HydrophobicContact CE1-CB 4.46Å; Y349-R354 WeakPolarHBondContact CE1-O 3.27Å; L351-R354 HydrophobicContact CD2-CG 3.45Å; L351-R354 VanDerWaalsContact CD2-CG 3.45Å; P352-R354 PolarHBondContact O-N 3.09Å
355S73.8Confident88.9Confident38 Ų3848.4 Ų48.427%0.26623%0.228SC..SBendtrans-62160.7-179.178.40000112.8D353 Q357 G358 K359D353-S355 VanDerWaalsContact CG-OG 3.29Å; D353-S355 PolarHBondContact O-N 3.44Å; D353-S355 WeakPolarHBondContact OD1-CB 3.44Å; D353-S355 PolarHBondContact OD1-N 3.03Å; D353-S355 VanDerWaalsContact OD1-N 3.17Å; D353-S355 PolarHBondContact OD1-OG 2.84Å; D353-S355 PolarHBondContact OD2-OG 3.15Å; S355-Q357 PolarHBondContact O-N 3.44Å; S355-Q357 PolarHBondContact OG-N 3.15Å; S355-G358 PolarHBondContact O-N 3.42Å; S355-G358 PolarHBondContact OG-N 2.88Å; S355-K359 PolarHBondContact O-N 2.78Å
356S68.2Low88.7Confident83 Ų8356 Ų5658%0.5826%0.261SS*.THydrogen-bonded Turntrans-62.8-20.4173.467.60000113.3
357Q71.6Confident88.5Confident86 Ų8660.9 Ų60.940%0.40229%0.287SS..THydrogen-bonded Turntrans-89.1-32.5177.3-52.7-60.1-8900112.3S355 R360S355-Q357 PolarHBondContact O-N 3.44Å; S355-Q357 PolarHBondContact OG-N 3.15Å; Q357-R360 PolarHBondContact O-NH1 3.19Å
358G78.3Confident88.5Confident3 Ų362.2 Ų62.23%0.03130%0.297CS..THydrogen-bonded Turntrans-66.3-36.317500000112.7D353 S355 R360 Y379D353-G358 WeakPolarHBondContact OD2-CA 3.38Å; D353-G358 PolarHBondContact OD2-N 2.81Å; S355-G358 PolarHBondContact O-N 3.42Å; S355-G358 PolarHBondContact OG-N 2.88Å; G358-R360 PolarHBondContact O-N 2.86Å; G358-R360 PolarHBondContact O-NH1 3.47Å; G358-Y379 WeakPolarHBondContact O-CE1 3.32Å
359K89.9Confident88.5Confident61 Ų6164.2 Ų64.227%0.26531%0.307SS..  trans-53.6136.4179.9-179.316141.3-880113.6K347 Y349 S355K347-K359 HydrophobicContact CB-CD 4.36Å; K347-K359 HydrophobicContact CD-CD 3.96Å; K347-K359 HydrophobicContact CG-CD 4.23Å; Y349-K359 HydrophobicContact CD1-CB 4.03Å; Y349-K359 HydrophobicContact CE1-CB 3.53Å; Y349-K359 HydrophobicContact CE1-CD 4.37Å; Y349-K359 HydrophobicContact CE1-CG 4.18Å; Y349-K359 PolarHBondContact OH-NZ 2.83Å; S355-K359 PolarHBondContact O-N 2.78Å
360R95.5Very high88.7Confident70 Ų7067.2 Ų67.226%0.26432%0.324SS..EExtended strand (participates in β ladder)trans-115.3160.4156.7-55.4-67174.6-94.4-1.8109.7K347 T348 Q357 G358 L377 K378 Y379K347-R360 WeakPolarHBondContact CA-O 3.26Å; T348-R360 PolarHBondContact N-O 2.71Å; T348-R360 PolarHBondContact O-N 2.84Å; Q357-R360 PolarHBondContact O-NH1 3.19Å; G358-R360 PolarHBondContact O-N 2.86Å; G358-R360 PolarHBondContact O-NH1 3.47Å; R360-L377 HydrophobicContact CB-CB 3.88Å; R360-L377 HydrophobicContact CB-CD1 4.04Å; R360-L377 HydrophobicContact CB-CD2 4.24Å; R360-L377 HydrophobicContact CB-CG 4.28Å; R360-L377 HydrophobicContact CG-CB 4.4Å; R360-K378 PolarHBondContact NE-O 2.86Å; R360-Y379 HydrophobicContact CB-CE2 4.41Å; R360-Y379 HydrophobicContact CG-CD2 4.42Å; R360-Y379 HydrophobicContact CG-CE1 4.13Å; R360-Y379 HydrophobicContact CG-CE2 3.77Å
361K96.2Very high88.9Confident133 Ų13366.7 Ų66.758%0.57832%0.322SS*.EExtended strand (participates in β ladder)trans-155.8151.6178.357.2156.1-167.3154.10111.9V346 K347 L377V346-K361 CarbonylContact O-C 3.49Å; V346-K361 WeakPolarHBondContact O-CA 3.26Å; V346-K361 WeakPolarHBondContact O-CB 3.5Å; K347-K361 HydrophobicContact CG-CB 4.41Å; K361-L377 WeakPolarHBondContact O-CD2 3.33Å
362T97.9Very high89.4Confident4 Ų470.1 Ų70.13%0.02534%0.343CS..  trans-81.7177.9170.461.40000111.7I326 V346 F373 E375 L377I326-T362 HydrophobicContact CB-CG2 4.1Å; I326-T362 HydrophobicContact CG1-CG2 4.04Å; I326-T362 HydrophobicContact CG2-CG2 4.2Å; V346-T362 HydrophobicContact CB-CG2 4.06Å; V346-T362 PolarHBondContact N-OG1 3.44Å; V346-T362 PolarHBondContact O-N 3.23Å; T362-F373 HydrophobicContact CG2-CB 4.43Å; T362-F373 HydrophobicContact CG2-CD1 4.25Å; T362-F373 HydrophobicContact CG2-CG 4.37Å; T362-F373 WeakPolarHBondContact OG1-CD1 3.36Å; T362-F373 WeakPolarHBondContact OG1-CE1 3.43Å; T362-E375 WeakPolarHBondContact CA-OE2 3.48Å; T362-E375 WeakPolarHBondContact CB-OE1 3.45Å; T362-E375 HydrophobicContact CG2-CB 3.85Å; T362-L377 HydrophobicContact CG2-CD1 4.19Å; T362-L377 HydrophobicContact CG2-CD2 4.39Å; T362-L377 HydrophobicContact CG2-CG 4.49Å
363R96.7Very high90Very high195 Ų19569.1 Ų69.174%0.73634%0.335SS*.  trans-65.8164.5162.5-63.7170-178.4-118.31.9110.4Y345 F373 E375Y345-R363 VanDerWaalsContact CB-O 3.31Å; Y345-R363 WeakPolarHBondContact CB-O 3.35Å; R363-F373 WeakPolarHBondContact O-CE1 3.28Å; R363-E375 WeakPolarHBondContact CB-OE1 3.5Å; R363-E375 WeakPolarHBondContact CG-OE1 3.49Å; R363-E375 PolarHBondContact N-OE1 3.32Å; R363-E375 PolarHBondContact N-OE2 3.29Å
364V96.9Very high90.9Very high54 Ų5475.3 Ų75.333%0.32736%0.363SS..  trans-95.7113.4176.5-1790000107.8N343 Y345 L398N343-V364 HydrophobicContact CB-CG1 3.92Å; Y345-V364 HydrophobicContact CD1-CG2 4.05Å; Y345-V364 HydrophobicContact CG-CG2 4.03Å; V364-L398 HydrophobicContact CG1-CB 4.08Å; V364-L398 HydrophobicContact CG1-CD2 4.35Å; V364-L398 HydrophobicContact CG2-CB 4.44Å; V364-L398 HydrophobicContact CG2-CD2 3.94Å
365Q96.8Very high91.7Very high80 Ų8072.2 Ų72.237%0.37435%0.353SS..  trans-75.9148.5165.8-68.9-64.112.800109.4N343 P344 T368 P371 T372 F373N343-Q365 CarbonylContact C-O 3.51Å; N343-Q365 WeakPolarHBondContact CA-O 3.42Å; P344-Q365 WeakPolarHBondContact CD-O 3.37Å; P344-Q365 HydrophobicContact CG-CB 4.34Å; P344-Q365 PolarHBondContact O-N 2.85Å; Q365-T368 HydrophobicContact CB-CG2 3.95Å; Q365-P371 HydrophobicContact CB-CB 3.91Å; Q365-P371 HydrophobicContact CG-CB 3.96Å; Q365-T372 PolarHBondContact NE2-O 3.4Å; Q365-F373 HydrophobicContact CB-CE1 4.46Å; Q365-F373 HydrophobicContact CG-CD1 4.14Å; Q365-F373 HydrophobicContact CG-CE1 3.95Å
366K94.8Very high92.7Very high171 Ų17173.5 Ų73.574%0.74336%0.36SS*.  trans-110.9137.6-173.4-67-179.8-176.6172.80110.9N343 T368N343-K366 WeakPolarHBondContact OD1-CA 3.28Å; K366-T368 PolarHBondContact O-N 3.44Å
367N93.8Very high94.1Very high102 Ų10270.2 Ų70.255%0.54534%0.336SS..SBendtrans48.349.1170.4-155.277.4000115.1C342 N343C342-N367 CarbonylContact O-C 3.39Å; C342-N367 WeakPolarHBondContact O-CA 3.48Å; C342-N367 PolarHBondContact O-N 2.85Å; N343-N367 PolarHBondContact OD1-N 3.48Å
368T96.6Very high95.2Very high42 Ų4271 Ų7126%0.25834%0.338SS..  trans-142.3145.5178.2179.10000111.3C342 P344 Q365 K366 D370 P371C342-T368 WeakPolarHBondContact CB-O 3.32Å; C342-T368 PolarHBondContact O-N 3.16Å; P344-T368 WeakPolarHBondContact CD-O 3.35Å; P344-T368 HydrophobicContact CG-CG2 4.12Å; Q365-T368 HydrophobicContact CB-CG2 3.95Å; K366-T368 PolarHBondContact O-N 3.44Å; T368-D370 PolarHBondContact OG1-N 3.01Å; T368-D370 PolarHBondContact OG1-O 3.43Å; T368-P371 HydrophobicContact CG2-CB 3.87Å
369L96.4Very high95.9Very high41 Ų4171.4 Ų71.422%0.21534%0.338CS..SBendtrans-94.4-13169-55.3-171.5000112.3L332 Y334 C342 P371L332-L369 HydrophobicContact CB-CB 4.48Å; L332-L369 VanDerWaalsContact CB-O 3.29Å; L332-L369 WeakPolarHBondContact CB-O 3.23Å; L332-L369 WeakPolarHBondContact CG-O 3.47Å; L332-L369 PolarHBondContact N-O 3.23Å; L332-L369 WeakPolarHBondContact O-CD2 3.4Å; Y334-L369 HydrophobicContact CD1-CD2 3.74Å; Y334-L369 HydrophobicContact CE1-CD1 3.99Å; Y334-L369 HydrophobicContact CE1-CD2 3.76Å; Y334-L369 HydrophobicContact CE1-CG 4.18Å; Y334-L369 HydrophobicContact CE2-CD1 4.36Å; Y334-L369 HydrophobicContact CG-CD2 4.41Å; C342-L369 HydrophobicContact CB-CD2 3.52Å; L369-P371 VanDerWaalsContact O-CD 3.31Å; L369-P371 WeakPolarHBondContact O-CD 3.22Å
370D97.1Very high95.9Very high79 Ų7974.3 Ų74.342%0.42235%0.353SS..SBendtrans-126.467-173.7-49.1-79.4000109.6C329 K330 N331 T368C329-D370 CarbonylContact O-C 3.58Å; C329-D370 WeakPolarHBondContact O-CA 3.43Å; K330-D370 WeakPolarHBondContact CA-OD1 3.12Å; K330-D370 WeakPolarHBondContact CB-OD1 3.46Å; N331-D370 PolarHBondContact N-OD1 3.24Å; T368-D370 PolarHBondContact OG1-N 3.01Å; T368-D370 PolarHBondContact OG1-O 3.43Å
371P97.3Very high95.5Very high2 Ų271.4 Ų71.41%0.01334%0.343CS..  trans-79.9117.3-173.531.8-38.8000113.9T328 C329 L332 P344 Q365 T368 L369 F373T328-P371 CarbonylContact C-O 3.45Å; T328-P371 VanDerWaalsContact CA-O 3.24Å; T328-P371 WeakPolarHBondContact CA-O 3.45Å; T328-P371 PolarHBondContact OG1-O 3.41Å; C329-P371 HydrophobicContact CB-CG 3.82Å; C329-P371 PolarHBondContact N-O 3.02Å; C329-P371 VanDerWaalsContact N-O 3.1Å; L332-P371 HydrophobicContact CD1-CG 3.74Å; P344-P371 HydrophobicContact CB-CB 4.45Å; P344-P371 HydrophobicContact CB-CG 3.98Å; P344-P371 HydrophobicContact CG-CB 3.58Å; P344-P371 HydrophobicContact CG-CG 3.49Å; P344-P371 VanDerWaalsContact CG-CG 3.49Å; Q365-P371 HydrophobicContact CB-CB 3.91Å; Q365-P371 HydrophobicContact CG-CB 3.96Å; T368-P371 HydrophobicContact CG2-CB 3.87Å; L369-P371 VanDerWaalsContact O-CD 3.31Å; L369-P371 WeakPolarHBondContact O-CD 3.22Å; P371-F373 HydrophobicContact CB-CD2 4.38Å; P371-F373 HydrophobicContact CB-CE1 4.39Å; P371-F373 HydrophobicContact CB-CE2 3.72Å; P371-F373 HydrophobicContact CB-CZ 3.72Å; P371-F373 HydrophobicContact CG-CD2 4.44Å; P371-F373 HydrophobicContact CG-CE2 3.54Å; P371-F373 HydrophobicContact CG-CZ 3.79Å; P371-F373 WeakPolarHBondContact O-CD2 3.44Å
372T97.5Very high95.1Very high76 Ų7669.2 Ų69.247%0.46634%0.338SS..EExtended strand (participates in β ladder)trans-74.7126.2160.9-49.60000110.2Q365 E374Q365-T372 PolarHBondContact NE2-O 3.4Å; T372-E374 HydrophobicContact CG2-CG 3.84Å
373F97.1Very high94.5Very high15 Ų1571.7 Ų71.77%0.06635%0.354CS..EExtended strand (participates in β ladder)trans-108.7-50.1178.1-68-75.6000112.8I326 K327 P344 V346 T362 R363 Q365 P371 E375I326-F373 HydrophobicContact CG2-CB 3.97Å; I326-F373 HydrophobicContact CG2-CD2 3.75Å; I326-F373 HydrophobicContact CG2-CG 4.07Å; K327-F373 PolarHBondContact O-N 3.39Å; P344-F373 HydrophobicContact CB-CZ 4.36Å; V346-F373 HydrophobicContact CG2-CD2 4.14Å; V346-F373 HydrophobicContact CG2-CE2 3.69Å; V346-F373 HydrophobicContact CG2-CZ 3.98Å; T362-F373 HydrophobicContact CG2-CB 4.43Å; T362-F373 HydrophobicContact CG2-CD1 4.25Å; T362-F373 HydrophobicContact CG2-CG 4.37Å; T362-F373 WeakPolarHBondContact OG1-CD1 3.36Å; T362-F373 WeakPolarHBondContact OG1-CE1 3.43Å; R363-F373 WeakPolarHBondContact O-CE1 3.28Å; Q365-F373 HydrophobicContact CB-CE1 4.46Å; Q365-F373 HydrophobicContact CG-CD1 4.14Å; Q365-F373 HydrophobicContact CG-CE1 3.95Å; P371-F373 HydrophobicContact CB-CD2 4.38Å; P371-F373 HydrophobicContact CB-CE1 4.39Å; P371-F373 HydrophobicContact CB-CE2 3.72Å; P371-F373 HydrophobicContact CB-CZ 3.72Å; P371-F373 HydrophobicContact CG-CD2 4.44Å; P371-F373 HydrophobicContact CG-CE2 3.54Å; P371-F373 HydrophobicContact CG-CZ 3.79Å; P371-F373 WeakPolarHBondContact O-CD2 3.44Å; F373-E375 VanDerWaalsContact C-N 3.26Å; F373-E375 PolarHBondContact O-N 3.26Å
374E95.6Very high93.8Very high139 Ų13965.1 Ų65.165%0.6535%0.347SS*.EExtended strand (participates in β ladder)trans50.442.4-174.7-63.4-177155.500113.9I326 K327 T372I326-E374 VanDerWaalsContact O-CA 3.31Å; I326-E374 WeakPolarHBondContact O-CA 3.46Å; I326-E374 PolarHBondContact O-N 3.48Å; K327-E374 PolarHBondContact O-N 3.33Å; T372-E374 HydrophobicContact CG2-CG 3.84Å
375E97.3Very high93.2Very high42 Ų4264.6 Ų64.620%0.19634%0.341CS..EExtended strand (participates in β ladder)trans-116.4124.2-175.6-82.2-177.1-103.700112.5I326 T362 R363 F373I326-E375 PolarHBondContact N-O 2.96Å; I326-E375 PolarHBondContact O-N 3.42Å; T362-E375 WeakPolarHBondContact CA-OE2 3.48Å; T362-E375 WeakPolarHBondContact CB-OE1 3.45Å; T362-E375 HydrophobicContact CG2-CB 3.85Å; R363-E375 WeakPolarHBondContact CB-OE1 3.5Å; R363-E375 WeakPolarHBondContact CG-OE1 3.49Å; R363-E375 PolarHBondContact N-OE1 3.32Å; R363-E375 PolarHBondContact N-OE2 3.29Å; F373-E375 VanDerWaalsContact C-N 3.26Å; F373-E375 PolarHBondContact O-N 3.26Å
376T96.2Very high92.7Very high66 Ų6661 Ų6141%0.40532%0.324SS..EExtended strand (participates in β ladder)trans-91.1116.9175.4-58.10000112E323 I324 K378E323-T376 HydrophobicContact CB-CG2 3.86Å; I324-T376 WeakPolarHBondContact O-CA 3.18Å; T376-K378 HydrophobicContact CG2-CG 4.17Å
377L96.5Very high92.2Very high13 Ų1358.1 Ų58.17%0.06831%0.314CS..EExtended strand (participates in β ladder)trans-99.6120.6178.6-56.1-177.5000110.2I324 I326 T348 R360 K361 T362I324-L377 WeakPolarHBondContact CD1-O 3.49Å; I324-L377 PolarHBondContact N-O 3.02Å; I324-L377 PolarHBondContact O-N 3.32Å; I326-L377 HydrophobicContact CG1-CD1 4.05Å; I326-L377 HydrophobicContact CG1-CG 4.35Å; T348-L377 HydrophobicContact CG2-CD1 3.86Å; R360-L377 HydrophobicContact CB-CB 3.88Å; R360-L377 HydrophobicContact CB-CD1 4.04Å; R360-L377 HydrophobicContact CB-CD2 4.24Å; R360-L377 HydrophobicContact CB-CG 4.28Å; R360-L377 HydrophobicContact CG-CB 4.4Å; K361-L377 WeakPolarHBondContact O-CD2 3.33Å; T362-L377 HydrophobicContact CG2-CD1 4.19Å; T362-L377 HydrophobicContact CG2-CD2 4.39Å; T362-L377 HydrophobicContact CG2-CG 4.49Å
378K94.5Very high91.7Very high104 Ų10457.6 Ų57.645%0.45232%0.315SS..EExtended strand (participates in β ladder)trans-108.5138.6-172.4-53.1-165.4-177.9-153.30114.1L322 E323 R360 T376L322-K378 WeakPolarHBondContact O-CA 3.5Å; E323-K378 HydrophobicContact CG-CD 4.07Å; E323-K378 HydrophobicContact CG-CG 4.03Å; E323-K378 WeakPolarHBondContact OE1-CD 3.47Å; E323-K378 VanDerWaalsContact OE1-CE 3.3Å; E323-K378 WeakPolarHBondContact OE1-CE 3.39Å; E323-K378 IonicContact OE1-NZ 2.8Å; E323-K378 PolarHBondContact OE1-NZ 3.36Å; E323-K378 WeakPolarHBondContact OE2-CE 3.26Å; E323-K378 IonicContact OE2-NZ 2.66Å; E323-K378 PolarHBondContact OE2-NZ 2.91Å; R360-K378 PolarHBondContact NE-O 2.86Å; T376-K378 HydrophobicContact CG2-CG 4.17Å
379Y93Very high91.2Very high10 Ų1056.3 Ų56.34%0.03931%0.306CS..EExtended strand (participates in β ladder)trans-117.6140.4170.4-66.7-98.4000109.9S321 L322 I324 T348 Y349 L350 G358 R360S321-Y379 CarbonylContact C-O 3.58Å; S321-Y379 WeakPolarHBondContact CA-O 3.37Å; S321-Y379 WeakPolarHBondContact CB-O 3.42Å; L322-Y379 PolarHBondContact N-O 2.75Å; L322-Y379 PolarHBondContact O-N 3.09Å; I324-Y379 HydrophobicContact CD1-CD2 3.52Å; I324-Y379 HydrophobicContact CD1-CE2 3.68Å; T348-Y379 WeakPolarHBondContact CB-OH 3.45Å; T348-Y379 PolarHBondContact O-OH 2.92Å; T348-Y379 PolarHBondContact OG1-OH 3.32Å; Y349-Y379 WeakPolarHBondContact CA-OH 3.28Å; Y349-Y379 PolarHBondContact N-OH 3.17Å; L350-Y379 HydrophobicContact CB-CD1 3.66Å; L350-Y379 HydrophobicContact CB-CE1 3.66Å; L350-Y379 HydrophobicContact CB-CG 4.32Å; L350-Y379 HydrophobicContact CD2-CD1 4.19Å; L350-Y379 HydrophobicContact CD2-CG 4.39Å; G358-Y379 WeakPolarHBondContact O-CE1 3.32Å; R360-Y379 HydrophobicContact CB-CE2 4.41Å; R360-Y379 HydrophobicContact CG-CD2 4.42Å; R360-Y379 HydrophobicContact CG-CE1 4.13Å; R360-Y379 HydrophobicContact CG-CE2 3.77Å
380Q90.8Very high91Very high122 Ų12258.1 Ų58.157%0.5731%0.31SS*.EExtended strand (participates in β ladder)trans-90.9116.9167.8-75.3-71.7-44.400107.4S319S319-Q380 PolarHBondContact O-NE2 3.1Å; S319-Q380 PolarHBondContact O-OE1 2.88Å
381V87.6Confident90.9Very high9 Ų954.4 Ų54.46%0.05529%0.29CS..  trans-156.8130.7-175.659.30000110Y315 C320 L322 L350 Q385 L386Y315-V381 HydrophobicContact CE2-CG1 4.05Å; Y315-V381 WeakPolarHBondContact CE2-O 3.5Å; Y315-V381 PolarHBondContact OH-O 2.93Å; C320-V381 CarbonylContact C-O 3.53Å; C320-V381 PolarHBondContact O-N 3.43Å; L322-V381 HydrophobicContact CB-CG1 3.76Å; L350-V381 HydrophobicContact CD2-CB 4.07Å; L350-V381 HydrophobicContact CD2-CG1 4.2Å; L350-V381 HydrophobicContact CD2-CG2 4.08Å; V381-Q385 HydrophobicContact CG2-CB 3.9Å; V381-L386 HydrophobicContact CG1-CD2 3.67Å; V381-L386 HydrophobicContact CG2-CD2 4.3Å
382D86Confident90.8Very high88 Ų8854.8 Ų54.847%0.47129%0.291SS..  trans-64.1143.4176.5-178.9-87.9000111.6G384 Q385D382-G384 VanDerWaalsContact C-N 3.26Å; D382-G384 PolarHBondContact O-N 3.44Å; D382-G384 WeakPolarHBondContact OD1-CA 3.26Å; D382-G384 PolarHBondContact OD1-N 3.33Å; D382-Q385 HydrophobicContact CB-CG 4.31Å; D382-Q385 PolarHBondContact O-N 2.84Å
383P85.6Confident90.7Very high55 Ų5551.2 Ų51.236%0.35727%0.27SS..Hα-helixtrans-57.4-38.1-177.5-18.928.3000113Y315 Q385 L386Y315-P383 HydrophobicContact CE1-CB 4.22Å; Y315-P383 HydrophobicContact CE1-CG 3.85Å; Y315-P383 VanDerWaalsContact OH-CD 3.23Å; Y315-P383 WeakPolarHBondContact OH-CD 3.46Å; Y315-P383 WeakPolarHBondContact OH-CG 3.42Å; P383-Q385 PolarHBondContact O-N 2.95Å; P383-L386 WeakPolarHBondContact O-CB 3.41Å; P383-L386 PolarHBondContact O-N 3.05Å; P383-L386 VanDerWaalsContact O-N 3.16Å
384G83Confident90.7Very high57 Ų5750.6 Ų50.659%0.58827%0.267SS*.Hα-helixtrans-67.5-21.1-18000000113.4D382D382-G384 VanDerWaalsContact C-N 3.26Å; D382-G384 PolarHBondContact O-N 3.44Å; D382-G384 WeakPolarHBondContact OD1-CA 3.26Å; D382-G384 PolarHBondContact OD1-N 3.33Å
385Q83.2Confident90.8Very high44 Ų4444 Ų4421%0.20624%0.236CC..Hα-helixtrans-82.7-21.2174.3-66.5-169.429.600113.4V381 D382 P383 M387 T388 R389V381-Q385 HydrophobicContact CG2-CB 3.9Å; D382-Q385 HydrophobicContact CB-CG 4.31Å; D382-Q385 PolarHBondContact O-N 2.84Å; P383-Q385 PolarHBondContact O-N 2.95Å; Q385-M387 PolarHBondContact O-N 3.49Å; Q385-T388 PolarHBondContact O-N 2.84Å; Q385-T388 PolarHBondContact O-OG1 3.41Å; Q385-R389 VanDerWaalsContact O-CG 3.31Å; Q385-R389 WeakPolarHBondContact O-CG 3.5Å
386L86.6Confident90.7Very high4 Ų443 Ų432%0.02123%0.23CC..Hα-helixtrans-54.6-41.7-175-67.7171000111.9Y315 L322 V381 P383 T388 R389 L414 F419Y315-L386 HydrophobicContact CD1-CD1 4.29Å; Y315-L386 HydrophobicContact CD2-CD1 3.66Å; Y315-L386 HydrophobicContact CD2-CD2 4.11Å; Y315-L386 HydrophobicContact CD2-CG 4.43Å; Y315-L386 HydrophobicContact CE1-CD1 4.45Å; Y315-L386 HydrophobicContact CE2-CD1 3.85Å; Y315-L386 HydrophobicContact CE2-CD2 4.19Å; Y315-L386 HydrophobicContact CE2-CG 4.36Å; Y315-L386 HydrophobicContact CG-CD1 3.89Å; L322-L386 HydrophobicContact CB-CD2 4.48Å; L322-L386 HydrophobicContact CD1-CD2 4.15Å; L322-L386 HydrophobicContact CD2-CD2 4.44Å; V381-L386 HydrophobicContact CG1-CD2 3.67Å; V381-L386 HydrophobicContact CG2-CD2 4.3Å; P383-L386 WeakPolarHBondContact O-CB 3.41Å; P383-L386 PolarHBondContact O-N 3.05Å; P383-L386 VanDerWaalsContact O-N 3.16Å; L386-T388 PolarHBondContact O-N 3.5Å; L386-T388 VanDerWaalsContact O-N 3.1Å; L386-R389 PolarHBondContact O-N 3.1Å; L386-L414 HydrophobicContact CD2-CD1 4.14Å; L386-L414 WeakPolarHBondContact O-CB 3.43Å; L386-F419 HydrophobicContact CB-CE2 4.33Å; L386-F419 HydrophobicContact CD1-CD2 4.2Å; L386-F419 HydrophobicContact CD1-CE2 3.85Å; L386-F419 HydrophobicContact CD1-CZ 4.11Å; L386-F419 HydrophobicContact CD2-CZ 4.46Å
387M83.5Confident90.6Very high110 Ų11039.9 Ų39.954%0.54221%0.211SC..THydrogen-bonded Turntrans-62.7-18.3-178.1-52.6-53.1172.500114.2Q385 A415Q385-M387 PolarHBondContact O-N 3.49Å; M387-A415 WeakPolarHBondContact O-CB 3.3Å
388T83.8Confident90.5Very high92 Ų9241.9 Ų41.956%0.56422%0.222SC*.THydrogen-bonded Turntrans-99.5-0.2177.666.80000113.5Q385 L386Q385-T388 PolarHBondContact O-N 2.84Å; Q385-T388 PolarHBondContact O-OG1 3.41Å; L386-T388 PolarHBondContact O-N 3.5Å; L386-T388 VanDerWaalsContact O-N 3.1Å
389R86.6Confident90.2Very high14 Ų1437.5 Ų37.55%0.05321%0.206CC..  trans-107.4153.7-172.2-58.4-66.5-177.9152.24.4112.4L350 L351 Q385 L386 L414L350-R389 HydrophobicContact CD1-CB 3.69Å; L350-R389 HydrophobicContact CD1-CG 4.27Å; L350-R389 HydrophobicContact CD2-CG 4.37Å; L350-R389 HydrophobicContact CG-CB 4.06Å; L350-R389 HydrophobicContact CG-CG 4.15Å; L351-R389 WeakPolarHBondContact O-CD 3.23Å; Q385-R389 VanDerWaalsContact O-CG 3.31Å; Q385-R389 WeakPolarHBondContact O-CG 3.5Å; L386-R389 PolarHBondContact O-N 3.1Å; R389-L414 HydrophobicContact CB-CD1 4.24Å; R389-L414 PolarHBondContact O-N 3.1Å
390R91.9Very high89.6Confident80 Ų8041 Ų4130%0.30223%0.228SC..EExtended strand (participates in β ladder)trans-120129.3168.8-57.5-176.8-77.4165.2-8.2109.3L351 I411 L412 P413L351-R390 HydrophobicContact CB-CB 4.2Å; L351-R390 WeakPolarHBondContact CB-O 3.34Å; L351-R390 HydrophobicContact CD1-CB 4.36Å; L351-R390 PolarHBondContact N-O 2.7Å; L351-R390 PolarHBondContact O-N 2.74Å; R390-I411 HydrophobicContact CB-CG2 4.2Å; R390-L412 CarbonylContact C-O 3.18Å; R390-L412 WeakPolarHBondContact CA-O 3.3Å; R390-P413 HydrophobicContact CG-CB 4.41Å
391L94.4Very high89.1Confident0 Ų044 Ų440%025%0.248CC..EExtended strand (participates in β ladder)trans-82.3121170.517766.2000108.6F311 I313 I324 V393 I411 L412 L414F311-L391 HydrophobicContact CE2-CD2 4.17Å; I313-L391 HydrophobicContact CD1-CD2 3.65Å; I313-L391 HydrophobicContact CG1-CD2 4.11Å; I324-L391 HydrophobicContact CD1-CD1 4.17Å; I324-L391 HydrophobicContact CG1-CD1 3.92Å; I324-L391 HydrophobicContact CG1-CD2 3.66Å; I324-L391 HydrophobicContact CG1-CG 4.47Å; I324-L391 HydrophobicContact CG2-CD2 4.3Å; L391-V393 HydrophobicContact CD1-CG2 4.36Å; L391-V393 HydrophobicContact CD2-CG2 3.88Å; L391-V393 HydrophobicContact CG-CG2 3.82Å; L391-I411 WeakPolarHBondContact O-CA 3.49Å; L391-L412 PolarHBondContact N-O 2.89Å; L391-L412 PolarHBondContact O-N 2.93Å; L391-L414 HydrophobicContact CB-CD2 4.01Å; L391-L414 HydrophobicContact CB-CG 4.38Å
392Q95.3Very high88.7Confident11 Ų1146.9 Ų46.95%0.05127%0.272CS..EExtended strand (participates in β ladder)trans-103.7120.3170178.6178.58.200108.3T348 Y349 L351 E409 I411T348-Q392 CarbonylContact C-O 3.5Å; T348-Q392 WeakPolarHBondContact CA-O 3.45Å; Y349-Q392 PolarHBondContact N-O 3.22Å; Y349-Q392 PolarHBondContact O-N 2.78Å; L351-Q392 HydrophobicContact CD1-CB 4.06Å; L351-Q392 HydrophobicContact CG-CB 4.16Å; Q392-E409 PolarHBondContact NE2-OE2 3.35Å; Q392-I411 HydrophobicContact CB-CG1 4.31Å; Q392-I411 HydrophobicContact CG-CD1 4.48Å; Q392-I411 HydrophobicContact CG-CG1 4.07Å
393V97.1Very high88.4Confident1 Ų148.9 Ų48.91%0.00627%0.273CS..EExtended strand (participates in β ladder)trans-113.9123.5175.1-173.50000107.7I309 F311 I326 V346 T348 L391 E409 V410I309-V393 HydrophobicContact CD1-CG1 3.82Å; F311-V393 HydrophobicContact CE1-CB 4.38Å; F311-V393 HydrophobicContact CE1-CG1 4.36Å; F311-V393 HydrophobicContact CE1-CG2 4.2Å; F311-V393 HydrophobicContact CE2-CG2 3.95Å; F311-V393 HydrophobicContact CZ-CB 4.34Å; F311-V393 HydrophobicContact CZ-CG2 3.74Å; I326-V393 HydrophobicContact CD1-CG1 4.15Å; V346-V393 HydrophobicContact CG1-CG1 3.59Å; T348-V393 HydrophobicContact CG2-CB 4.27Å; T348-V393 HydrophobicContact CG2-CG1 4.04Å; T348-V393 HydrophobicContact CG2-CG2 3.95Å; L391-V393 HydrophobicContact CD1-CG2 4.36Å; L391-V393 HydrophobicContact CD2-CG2 3.88Å; L391-V393 HydrophobicContact CG-CG2 3.82Å; V393-E409 CarbonylContact O-C 3.6Å; V393-E409 VanDerWaalsContact O-CA 3.23Å; V393-E409 WeakPolarHBondContact O-CA 3.37Å; V393-E409 WeakPolarHBondContact O-CB 3.39Å; V393-V410 PolarHBondContact N-O 3.14Å; V393-V410 PolarHBondContact O-N 3.39Å
394S96.1Very high88.6Confident1 Ų152.1 Ų52.11%0.00728%0.278CS..EExtended strand (participates in β ladder)trans-136.4135.8-172.956.60000111.5V346 K347 W396 G408V346-S394 CarbonylContact C-O 3.57Å; V346-S394 WeakPolarHBondContact CA-O 3.46Å; K347-S394 PolarHBondContact N-O 3.34Å; K347-S394 PolarHBondContact O-N 3.48Å; K347-S394 PolarHBondContact O-OG 3.47Å; K347-S394 VanDerWaalsContact O-OG 3.08Å; S394-W396 VanDerWaalsContact O-CD1 3.26Å; S394-W396 PolarHBondContact OG-NE1 2.85Å; S394-G408 WeakPolarHBondContact CA-O 3.48Å
395V97.3Very high88.9Confident0 Ų049.7 Ų49.70%025%0.252CS..EExtended strand (participates in β ladder)trans-101.7138.4-178.2-168.70000109.4I309 L332 P344 V346 L407 G408 L432I309-V395 HydrophobicContact CD1-CG2 3.97Å; L332-V395 HydrophobicContact CD1-CG1 4.01Å; L332-V395 HydrophobicContact CD2-CG1 4.09Å; P344-V395 HydrophobicContact CB-CG1 4.39Å; V346-V395 HydrophobicContact CG2-CG2 4.35Å; V395-L407 HydrophobicContact CB-CB 4.19Å; V395-L407 HydrophobicContact CG1-CB 4.16Å; V395-L407 HydrophobicContact CG1-CD1 4.17Å; V395-L407 PolarHBondContact O-N 3.24Å; V395-G408 PolarHBondContact N-O 3.43Å; V395-L432 HydrophobicContact CB-CD1 4.37Å; V395-L432 HydrophobicContact CB-CD2 4.49Å; V395-L432 HydrophobicContact CG2-CD1 3.98Å; V395-L432 HydrophobicContact CG2-CD2 3.63Å; V395-L432 HydrophobicContact CG2-CG 4.49Å
396W96.1Very high89.4Confident22 Ų2247.8 Ų47.88%0.08324%0.243CC..EExtended strand (participates in β ladder)trans-140.9142.9-171.7-6380.9000111.2F300 P344 Y345 K347 S394 R404 V405 F406F300-W396 AromaticContact CD1-CZ3 3.95Å; F300-W396 HydrophobicContact CD1-CZ3 3.95Å; F300-W396 HydrophobicContact CD2-CH2 4.2Å; F300-W396 HydrophobicContact CD2-CZ3 4.18Å; F300-W396 HydrophobicContact CE1-CZ3 4.15Å; F300-W396 HydrophobicContact CE2-CH2 4.21Å; F300-W396 HydrophobicContact CE2-CZ3 4.37Å; F300-W396 HydrophobicContact CG-CH2 4.45Å; F300-W396 AromaticContact CG-CZ3 3.96Å; F300-W396 HydrophobicContact CG-CZ3 3.96Å; F300-W396 HydrophobicContact CZ-CH2 4.46Å; F300-W396 HydrophobicContact CZ-CZ3 4.36Å; P344-W396 CarbonylContact C-O 3.17Å; P344-W396 VanDerWaalsContact CA-O 3.31Å; P344-W396 WeakPolarHBondContact CA-O 3.32Å; Y345-W396 HydrophobicContact CD1-CB 4.01Å; Y345-W396 WeakPolarHBondContact CD1-O 3.38Å; Y345-W396 HydrophobicContact CE1-CB 3.43Å; Y345-W396 VanDerWaalsContact CE1-CB 3.43Å; Y345-W396 WeakPolarHBondContact CE1-O 3.1Å; Y345-W396 HydrophobicContact CE2-CB 4.09Å; Y345-W396 VanDerWaalsContact CZ-CB 3.46Å; Y345-W396 PolarHBondContact N-O 2.78Å; Y345-W396 PolarHBondContact O-N 3.02Å; K347-W396 HydrophobicContact CD-CD2 4.35Å; K347-W396 HydrophobicContact CD-CG 4.22Å; K347-W396 HydrophobicContact CD-CZ2 4.47Å; K347-W396 VanDerWaalsContact CE-CD1 3.46Å; K347-W396 VanDerWaalsContact CE-CG 3.49Å; K347-W396 HydrophobicContact CG-CG 4.49Å; K347-W396 VanDerWaalsContact NZ-CE3 3.28Å; K347-W396 VanDerWaalsContact NZ-CZ2 3.28Å; S394-W396 VanDerWaalsContact O-CD1 3.26Å; S394-W396 PolarHBondContact OG-NE1 2.85Å; W396-R404 HydrophobicContact CE3-CB 4.24Å; W396-V405 WeakPolarHBondContact CA-O 3.17Å; W396-F406 HydrophobicContact CD2-CD2 4.26Å; W396-F406 AromaticContact CE2-CD2 3.9Å; W396-F406 HydrophobicContact CE3-CB 4.27Å; W396-F406 HydrophobicContact CE3-CD2 4.42Å; W396-F406 AromaticContact CH2-CD2 4Å; W396-F406 HydrophobicContact CH2-CD2 4Å; W396-F406 AromaticContact CZ2-CD2 3.79Å; W396-F406 HydrophobicContact CZ2-CD2 3.79Å; W396-F406 HydrophobicContact CZ2-CE2 4.35Å; W396-F406 HydrophobicContact CZ3-CB 4.14Å; W396-F406 HydrophobicContact CZ3-CD2 4.3Å
397H94.6Very high89.7Confident0 Ų047.6 Ų47.60%024%0.242CC..EExtended strand (participates in β ladder)trans-85.5141.5167.2178.491.2000110.9G335 K341 C342 N343 G399 R404 V405 L407G335-H397 WeakPolarHBondContact CA-ND1 3.47Å; K341-H397 PolarHBondContact O-CE1 3.34Å; C342-H397 WeakPolarHBondContact CA-ND1 2.97Å; N343-H397 PolarHBondContact N-CE1 2.97Å; N343-H397 PolarHBondContact N-ND1 2.87Å; H397-G399 VanDerWaalsContact CD2-CA 3.48Å; H397-G399 WeakPolarHBondContact CD2-CA 3.39Å; H397-G399 PolarHBondContact CD2-N 3.43Å; H397-G399 WeakPolarHBondContact NE2-CA 3.3Å; H397-G399 PolarHBondContact NE2-N 2.76Å; H397-R404 WeakPolarHBondContact O-CA 3.42Å; H397-V405 HydrophobicContact CB-CB 4.05Å; H397-V405 PolarHBondContact N-O 3.24Å; H397-V405 PolarHBondContact O-N 3.29Å; H397-L407 HydrophobicContact CB-CD1 4.03Å; H397-L407 HydrophobicContact CB-CD2 4.29Å; H397-L407 HydrophobicContact CB-CG 4.2Å
398L93.9Very high90.2Very high56 Ų5642.3 Ų42.329%0.29322%0.216SC..EExtended strand (participates in β ladder)trans-106.1104.4163.6-175.564.6000110.9N343 Y345 V364 A402 R404N343-L398 WeakPolarHBondContact CB-O 3.35Å; N343-L398 PolarHBondContact ND2-O 2.96Å; N343-L398 PolarHBondContact O-N 2.97Å; Y345-L398 HydrophobicContact CD1-CB 4.21Å; Y345-L398 HydrophobicContact CE1-CB 3.99Å; V364-L398 HydrophobicContact CG1-CB 4.08Å; V364-L398 HydrophobicContact CG1-CD2 4.35Å; V364-L398 HydrophobicContact CG2-CB 4.44Å; V364-L398 HydrophobicContact CG2-CD2 3.94Å; L398-A402 HydrophobicContact CD1-CB 4.29Å; L398-R404 HydrophobicContact CD1-CG 4.43Å
399G87.2Confident90.8Very high11 Ų1138.8 Ų38.811%0.11319%0.193CC..  trans-90.2-177.4-177.800000113.8E336 H397 A402 R403E336-G399 WeakPolarHBondContact OE1-CA 3.26Å; H397-G399 VanDerWaalsContact CD2-CA 3.48Å; H397-G399 WeakPolarHBondContact CD2-CA 3.39Å; H397-G399 PolarHBondContact CD2-N 3.43Å; H397-G399 WeakPolarHBondContact NE2-CA 3.3Å; H397-G399 PolarHBondContact NE2-N 2.76Å; G399-A402 PolarHBondContact O-N 3.08Å; G399-R403 PolarHBondContact N-O 3.12Å
400T81.8Confident91.2Very high83 Ų8338.8 Ų38.851%0.50919%0.194SC..G310 helixtrans-53.2147.7169.9460000111.8E336 A402 R403E336-T400 PolarHBondContact OE1-N 3.09Å; E336-T400 PolarHBondContact OE1-OG1 3.28Å; T400-A402 PolarHBondContact O-N 2.65Å; T400-A402 VanDerWaalsContact O-N 3.09Å; T400-R403 WeakPolarHBondContact O-CB 3.32Å; T400-R403 PolarHBondContact O-N 3.16Å; T400-R403 VanDerWaalsContact O-N 3.14Å
401L79.3Confident91.3Very high187 Ų18738.1 Ų38.198%0.97920%0.196SC*.G310 helixtrans54.425.1-174.4-56.2175.4000115R403L401-R403 PolarHBondContact O-N 3.18Å
402A79.1Confident91.2Very high69 Ų6939.5 Ų39.557%0.5720%0.203SC*.G310 helixtrans60.721.3-176.400000115.1L398 G399 T400L398-A402 HydrophobicContact CD1-CB 4.29Å; G399-A402 PolarHBondContact O-N 3.08Å; T400-A402 PolarHBondContact O-N 2.65Å; T400-A402 VanDerWaalsContact O-N 3.09Å
403R80.5Confident91Very high130 Ų13041.3 Ų41.349%0.49122%0.216SC..  trans-57.1144.9167.9-164.6177.7-164.9-127.31.6109.7D301 G399 T400 L401D301-R403 IonicContact OD1-CZ 2.71Å; D301-R403 IonicContact OD1-NH1 2.86Å; D301-R403 IonicContact OD1-NH2 3.82Å; D301-R403 PolarHBondContact OD1-NH2 3.04Å; D301-R403 IonicContact OD2-CZ 2.78Å; D301-R403 IonicContact OD2-NH1 3.63Å; D301-R403 PolarHBondContact OD2-NH1 2.99Å; D301-R403 IonicContact OD2-NH2 2.69Å; D301-R403 PolarHBondContact OD2-NH2 3.03Å; G399-R403 PolarHBondContact N-O 3.12Å; T400-R403 WeakPolarHBondContact O-CB 3.32Å; T400-R403 PolarHBondContact O-N 3.16Å; T400-R403 VanDerWaalsContact O-N 3.14Å; L401-R403 PolarHBondContact O-N 3.18Å
404R89.4Confident90.7Very high123 Ų12341.3 Ų41.346%0.46422%0.216SC..EExtended strand (participates in β ladder)trans-122.2128.4179.3-63.1171.9-177.4162.15.6108.7F300 Y345 W396 H397 L398F300-R404 HydrophobicContact CD1-CB 4.46Å; F300-R404 HydrophobicContact CE1-CB 4.45Å; Y345-R404 VanDerWaalsContact OH-CD 3.3Å; Y345-R404 WeakPolarHBondContact OH-CD 3.29Å; W396-R404 HydrophobicContact CE3-CB 4.24Å; H397-R404 WeakPolarHBondContact O-CA 3.42Å; L398-R404 HydrophobicContact CD1-CG 4.43Å
405V89.7Confident90.2Very high6 Ų644 Ų444%0.03624%0.238CC..EExtended strand (participates in β ladder)trans-114.8139.4175.4174.70000107D301 A303 G335 W396 H397D301-V405 HydrophobicContact CB-CG1 4.34Å; D301-V405 HydrophobicContact CB-CG2 4.29Å; D301-V405 WeakPolarHBondContact O-CG1 3.35Å; A303-V405 HydrophobicContact CB-CG1 4.06Å; G335-V405 WeakPolarHBondContact O-CG2 3.38Å; W396-V405 WeakPolarHBondContact CA-O 3.17Å; H397-V405 HydrophobicContact CB-CB 4.05Å; H397-V405 PolarHBondContact N-O 3.24Å; H397-V405 PolarHBondContact O-N 3.29Å
406F92.2Very high89.3Confident3 Ų351.2 Ų51.21%0.01327%0.274CS..EExtended strand (participates in β ladder)trans-85.2132-178.4177.7-100.5000109.6D301 A303 V305 W396 G408 E409 K435D301-F406 PolarHBondContact O-N 2.74Å; A303-F406 PolarHBondContact N-O 3.1Å; V305-F406 HydrophobicContact CG2-CD1 4.3Å; V305-F406 HydrophobicContact CG2-CE1 4.22Å; W396-F406 HydrophobicContact CD2-CD2 4.26Å; W396-F406 AromaticContact CE2-CD2 3.9Å; W396-F406 HydrophobicContact CE3-CB 4.27Å; W396-F406 HydrophobicContact CE3-CD2 4.42Å; W396-F406 AromaticContact CH2-CD2 4Å; W396-F406 HydrophobicContact CH2-CD2 4Å; W396-F406 AromaticContact CZ2-CD2 3.79Å; W396-F406 HydrophobicContact CZ2-CD2 3.79Å; W396-F406 HydrophobicContact CZ2-CE2 4.35Å; W396-F406 HydrophobicContact CZ3-CB 4.14Å; W396-F406 HydrophobicContact CZ3-CD2 4.3Å; F406-G408 VanDerWaalsContact CZ-CA 3.45Å; F406-E409 HydrophobicContact CE2-CB 4.05Å; F406-E409 HydrophobicContact CE2-CG 4.42Å; F406-E409 HydrophobicContact CZ-CB 3.77Å; F406-E409 HydrophobicContact CZ-CG 3.82Å; F406-K435 HydrophobicContact CD1-CB 4.43Å; F406-K435 HydrophobicContact CE1-CB 3.77Å; F406-K435 HydrophobicContact CZ-CB 3.92Å
407L93.8Very high88.7Confident0 Ų051.5 Ų51.50%028%0.275CS..EExtended strand (participates in β ladder)trans-113.93.8-177-58.4178.3000113A303 V305 A333 C342 P344 V395 H397A303-L407 HydrophobicContact CB-CD2 3.96Å; V305-L407 WeakPolarHBondContact CG1-O 3.23Å; A333-L407 HydrophobicContact CB-CD2 4.33Å; C342-L407 VanDerWaalsContact SG-CD1 3.53Å; P344-L407 HydrophobicContact CB-CD1 4.43Å; V395-L407 HydrophobicContact CB-CB 4.19Å; V395-L407 HydrophobicContact CG1-CB 4.16Å; V395-L407 HydrophobicContact CG1-CD1 4.17Å; V395-L407 PolarHBondContact O-N 3.24Å; H397-L407 HydrophobicContact CB-CD1 4.03Å; H397-L407 HydrophobicContact CB-CD2 4.29Å; H397-L407 HydrophobicContact CB-CG 4.2Å
408G94.2Very high88.1Confident0 Ų055.6 Ų55.60%030%0.297CS..EExtended strand (participates in β ladder)trans123.3164.8177.600000114.5S394 V395 F406 R433S394-G408 WeakPolarHBondContact CA-O 3.48Å; V395-G408 PolarHBondContact N-O 3.43Å; F406-G408 VanDerWaalsContact CZ-CA 3.45Å; G408-R433 CarbonylContact C-O 3.55Å; G408-R433 VanDerWaalsContact CA-O 3.26Å; G408-R433 WeakPolarHBondContact CA-O 3.46Å
409E95.8Very high87.5Confident18 Ų1854.5 Ų54.58%0.08429%0.29CS..EExtended strand (participates in β ladder)trans-145165177.572.7-171.7177.600114.6Q392 V393 F406 R433Q392-E409 PolarHBondContact NE2-OE2 3.35Å; V393-E409 CarbonylContact O-C 3.6Å; V393-E409 VanDerWaalsContact O-CA 3.23Å; V393-E409 WeakPolarHBondContact O-CA 3.37Å; V393-E409 WeakPolarHBondContact O-CB 3.39Å; F406-E409 HydrophobicContact CE2-CB 4.05Å; F406-E409 HydrophobicContact CE2-CG 4.42Å; F406-E409 HydrophobicContact CZ-CB 3.77Å; F406-E409 HydrophobicContact CZ-CG 3.82Å; E409-R433 PolarHBondContact N-O 3.29Å; E409-R433 PolarHBondContact O-N 3.35Å
410V95.4Very high86.9Confident13 Ų1363 Ų638%0.07932%0.324CS..EExtended strand (participates in β ladder)trans-130.8133173.7-174.10000106.9I309 F311 V393 L412 Y430 L432I309-V410 HydrophobicContact CG2-CG2 3.78Å; F311-V410 HydrophobicContact CZ-CG1 4.4Å; V393-V410 PolarHBondContact N-O 3.14Å; V393-V410 PolarHBondContact O-N 3.39Å; V410-L412 HydrophobicContact CG1-CD2 4.11Å; V410-L412 HydrophobicContact CG1-CG 4.07Å; V410-Y430 HydrophobicContact CG1-CD1 3.93Å; V410-Y430 HydrophobicContact CG1-CG 3.98Å; V410-L432 HydrophobicContact CG2-CD2 4.17Å
411I93.6Very high86.6Confident67 Ų6761.7 Ų61.734%0.34431%0.314SS..EExtended strand (participates in β ladder)trans-123.9120.3177.1-59.5177.7000108.4R390 L391 Q392R390-I411 HydrophobicContact CB-CG2 4.2Å; L391-I411 WeakPolarHBondContact O-CA 3.49Å; Q392-I411 HydrophobicContact CB-CG1 4.31Å; Q392-I411 HydrophobicContact CG-CD1 4.48Å; Q392-I411 HydrophobicContact CG-CG1 4.07Å
412L92.3Very high86Confident28 Ų2857.1 Ų57.115%0.14730%0.297CS..EExtended strand (participates in β ladder)trans-119118.4-177.6-61.4176.9000110.3F311 I313 R390 L391 V410 L414 W417 Y430F311-L412 HydrophobicContact CE2-CD1 3.87Å; F311-L412 HydrophobicContact CZ-CD1 3.67Å; I313-L412 HydrophobicContact CD1-CD1 3.93Å; R390-L412 CarbonylContact C-O 3.18Å; R390-L412 WeakPolarHBondContact CA-O 3.3Å; L391-L412 PolarHBondContact N-O 2.89Å; L391-L412 PolarHBondContact O-N 2.93Å; V410-L412 HydrophobicContact CG1-CD2 4.11Å; V410-L412 HydrophobicContact CG1-CG 4.07Å; L412-L414 PolarHBondContact O-N 3.07Å; L412-W417 HydrophobicContact CD1-CZ3 4.02Å; L412-Y430 HydrophobicContact CD1-CE1 4Å; L412-Y430 HydrophobicContact CD1-CE2 4.48Å; L412-Y430 HydrophobicContact CD2-CD1 4.27Å; L412-Y430 HydrophobicContact CD2-CE1 3.88Å
413P91.9Very high85.5Confident50 Ų5057.5 Ų57.533%0.32529%0.292SS..EExtended strand (participates in β ladder)trans-65.8122.2166.4-17.831.6000110.6R390 A415 M416R390-P413 HydrophobicContact CG-CB 4.41Å; P413-A415 PolarHBondContact O-N 3.29Å; P413-M416 HydrophobicContact CB-CE 4.19Å; P413-M416 HydrophobicContact CG-CE 3.89Å; P413-M416 PolarHBondContact O-N 2.79Å
414L90.4Very high84.8Confident0 Ų051.6 Ų51.60%027%0.271CS..G310 helixtrans-76.1-12.3-178.8-62.4-177.6000112.8I313 L322 L350 L386 R389 L391 L412 M416 W417 F419I313-L414 HydrophobicContact CD1-CD2 4.38Å; L322-L414 HydrophobicContact CD1-CD1 4.5Å; L322-L414 HydrophobicContact CD2-CD1 3.58Å; L350-L414 HydrophobicContact CD1-CD1 3.62Å; L386-L414 HydrophobicContact CD2-CD1 4.14Å; L386-L414 WeakPolarHBondContact O-CB 3.43Å; R389-L414 HydrophobicContact CB-CD1 4.24Å; R389-L414 PolarHBondContact O-N 3.1Å; L391-L414 HydrophobicContact CB-CD2 4.01Å; L391-L414 HydrophobicContact CB-CG 4.38Å; L412-L414 PolarHBondContact O-N 3.07Å; L414-M416 PolarHBondContact O-N 3.38Å; L414-W417 PolarHBondContact O-N 3.43Å; L414-F419 HydrophobicContact CB-CZ 4.43Å; L414-F419 HydrophobicContact CD2-CZ 4.35Å
415A85.5Confident83.9Confident57 Ų5748.3 Ų48.347%0.47126%0.261SS..G310 helixtrans-58.4-28.717000000113.9M387 P413M387-A415 WeakPolarHBondContact O-CB 3.3Å; P413-A415 PolarHBondContact O-N 3.29Å
416M79Confident83.6Confident153 Ų15352.8 Ų52.875%0.75429%0.285SS*.G310 helixtrans-99.46.4-178.5-53.7-174.4-51.500112.4P413 L414P413-M416 HydrophobicContact CB-CE 4.19Å; P413-M416 HydrophobicContact CG-CE 3.89Å; P413-M416 PolarHBondContact O-N 2.79Å; L414-M416 PolarHBondContact O-N 3.38Å
417W83.8Confident83.5Confident28 Ų2854.4 Ų54.411%0.10630%0.299CS..  trans-96.3114.5-176.9-162-85.1000110.4I313 L412 L414 F419 A424 Y430I313-W417 HydrophobicContact CB-CH2 4.39Å; I313-W417 HydrophobicContact CB-CZ2 3.67Å; I313-W417 HydrophobicContact CD1-CD2 3.99Å; I313-W417 HydrophobicContact CD1-CE3 3.91Å; I313-W417 HydrophobicContact CD1-CH2 3.73Å; I313-W417 HydrophobicContact CD1-CZ2 3.81Å; I313-W417 HydrophobicContact CD1-CZ3 3.79Å; I313-W417 HydrophobicContact CG1-CH2 4.02Å; I313-W417 HydrophobicContact CG1-CZ2 3.81Å; L412-W417 HydrophobicContact CD1-CZ3 4.02Å; L414-W417 PolarHBondContact O-N 3.43Å; W417-F419 HydrophobicContact CB-CE2 3.98Å; W417-F419 HydrophobicContact CB-CZ 3.96Å; W417-F419 AromaticContact CD1-CD1 3.54Å; W417-F419 AromaticContact CD1-CE1 3.42Å; W417-F419 VanDerWaalsContact CD1-CE1 3.42Å; W417-F419 AromaticContact CD1-CG 3.96Å; W417-F419 AromaticContact CD1-CZ 3.72Å; W417-F419 HydrophobicContact CG-CE1 4.15Å; W417-F419 HydrophobicContact CG-CE2 4.4Å; W417-F419 HydrophobicContact CG-CZ 4.06Å; W417-F419 VanDerWaalsContact O-CD2 3.24Å; W417-F419 WeakPolarHBondContact O-CD2 3.32Å; W417-F419 WeakPolarHBondContact O-CE2 3.18Å; W417-F419 PolarHBondContact O-N 2.81Å; W417-A424 WeakPolarHBondContact CZ2-O 3.48Å; W417-Y430 VanDerWaalsContact CH2-OH 3.24Å; W417-Y430 WeakPolarHBondContact CH2-OH 3.15Å; W417-Y430 VanDerWaalsContact CZ3-OH 3.29Å; W417-Y430 WeakPolarHBondContact CZ3-OH 3.45Å
418D81.3Confident83.5Confident86 Ų8659.3 Ų59.346%0.4632%0.318SS..  trans-76.6107.9171.3-167.1-11.1000109.9K420 D421 A424D418-K420 VanDerWaalsContact C-N 3.32Å; D418-K420 WeakPolarHBondContact OD1-CA 3.35Å; D418-K420 WeakPolarHBondContact OD1-CB 3.18Å; D418-K420 PolarHBondContact OD1-N 2.94Å; D418-D421 HydrophobicContact CB-CB 4.07Å; D418-D421 PolarHBondContact OD1-N 3.18Å; D418-A424 VanDerWaalsContact O-CB 3.26Å; D418-A424 WeakPolarHBondContact O-CB 3.29Å
419F81.9Confident83.6Confident32 Ų3263.8 Ų63.814%0.1434%0.335CS..SBendtrans-81.1-10.7175.4-63.8-78.7000113.3I313 Y315 L322 L386 L414 W417 Q425I313-F419 HydrophobicContact CG2-CE1 4.11Å; Y315-F419 VanDerWaalsContact CB-CD1 3.47Å; L322-F419 HydrophobicContact CD1-CE1 3.56Å; L322-F419 HydrophobicContact CD1-CZ 3.97Å; L386-F419 HydrophobicContact CB-CE2 4.33Å; L386-F419 HydrophobicContact CD1-CD2 4.2Å; L386-F419 HydrophobicContact CD1-CE2 3.85Å; L386-F419 HydrophobicContact CD1-CZ 4.11Å; L386-F419 HydrophobicContact CD2-CZ 4.46Å; L414-F419 HydrophobicContact CB-CZ 4.43Å; L414-F419 HydrophobicContact CD2-CZ 4.35Å; W417-F419 HydrophobicContact CB-CE2 3.98Å; W417-F419 HydrophobicContact CB-CZ 3.96Å; W417-F419 AromaticContact CD1-CD1 3.54Å; W417-F419 AromaticContact CD1-CE1 3.42Å; W417-F419 VanDerWaalsContact CD1-CE1 3.42Å; W417-F419 AromaticContact CD1-CG 3.96Å; W417-F419 AromaticContact CD1-CZ 3.72Å; W417-F419 HydrophobicContact CG-CE1 4.15Å; W417-F419 HydrophobicContact CG-CE2 4.4Å; W417-F419 HydrophobicContact CG-CZ 4.06Å; W417-F419 VanDerWaalsContact O-CD2 3.24Å; W417-F419 WeakPolarHBondContact O-CD2 3.32Å; W417-F419 WeakPolarHBondContact O-CE2 3.18Å; W417-F419 PolarHBondContact O-N 2.81Å; F419-Q425 PolarHBondContact O-NE2 3.18Å
420K74Confident83.6Confident191 Ų19164.5 Ų64.583%0.8334%0.337SS*.SBendtrans-90.3-30.7177.9-61.2-179178.5179.30112.4D418 S422D418-K420 VanDerWaalsContact C-N 3.32Å; D418-K420 WeakPolarHBondContact OD1-CA 3.35Å; D418-K420 WeakPolarHBondContact OD1-CB 3.18Å; D418-K420 PolarHBondContact OD1-N 2.94Å; K420-S422 PolarHBondContact O-N 2.94Å
421D75.2Confident83.6Confident55 Ų5567 Ų6729%0.29435%0.354SS..  trans-70116175.9174.522.4000111.8D418 T423 A424 Q425D418-D421 HydrophobicContact CB-CB 4.07Å; D418-D421 PolarHBondContact OD1-N 3.18Å; D421-T423 PolarHBondContact O-N 3.22Å; D421-T423 WeakPolarHBondContact OD1-CB 3.36Å; D421-T423 WeakPolarHBondContact OD1-CG2 3.08Å; D421-T423 PolarHBondContact OD1-N 2.72Å; D421-T423 PolarHBondContact OD1-OG1 3.01Å; D421-T423 PolarHBondContact OD2-OG1 3.46Å; D421-A424 HydrophobicContact CB-CB 3.94Å; D421-A424 WeakPolarHBondContact O-CB 3.41Å; D421-A424 PolarHBondContact O-N 3.06Å; D421-A424 PolarHBondContact OD2-N 2.79Å; D421-Q425 PolarHBondContact O-N 2.87Å
422S66.7Low83.8Confident90 Ų9064.5 Ų64.563%0.62934%0.341SS*.THydrogen-bonded Turntrans-59.3-27.4174.3-580000113.1K420 Q425K420-S422 PolarHBondContact O-N 2.94Å; S422-Q425 PolarHBondContact O-N 3.4Å
423T68.8Low83.8Confident77 Ų7771.8 Ų71.847%0.47237%0.366SS..THydrogen-bonded Turntrans-81.1-28.317987.10000112.6D421 Q425 N426 R428D421-T423 PolarHBondContact O-N 3.22Å; D421-T423 WeakPolarHBondContact OD1-CB 3.36Å; D421-T423 WeakPolarHBondContact OD1-CG2 3.08Å; D421-T423 PolarHBondContact OD1-N 2.72Å; D421-T423 PolarHBondContact OD1-OG1 3.01Å; D421-T423 PolarHBondContact OD2-OG1 3.46Å; T423-Q425 VanDerWaalsContact C-N 3.25Å; T423-N426 PolarHBondContact O-N 3.27Å; T423-R428 VanDerWaalsContact C-NH2 3.32Å; T423-R428 PolarHBondContact O-NH2 3.18Å
424A66.7Low83.5Confident6 Ų672.7 Ų72.75%0.0538%0.378CS..THydrogen-bonded Turntrans-66.3-29.8168.100000111.8W417 D418 D421 N426W417-A424 WeakPolarHBondContact CZ2-O 3.48Å; D418-A424 VanDerWaalsContact O-CB 3.26Å; D418-A424 WeakPolarHBondContact O-CB 3.29Å; D421-A424 HydrophobicContact CB-CB 3.94Å; D421-A424 WeakPolarHBondContact O-CB 3.41Å; D421-A424 PolarHBondContact O-N 3.06Å; D421-A424 PolarHBondContact OD2-N 2.79Å; A424-N426 VanDerWaalsContact C-N 3.3Å; A424-N426 PolarHBondContact O-N 3.17Å
425Q70.7Confident82.9Confident54 Ų5476.5 Ų76.525%0.25239%0.394SS..THydrogen-bonded Turntrans-76.2-9175.8-70.1-169.745.400114.8A312 H314 F419 D421 S422 T423A312-Q425 WeakPolarHBondContact CB-O 3.17Å; H314-Q425 PolarHBondContact CE1-O 3.15Å; H314-Q425 PolarHBondContact ND1-OE1 3.48Å; H314-Q425 PolarHBondContact NE2-O 2.93Å; F419-Q425 PolarHBondContact O-NE2 3.18Å; D421-Q425 PolarHBondContact O-N 2.87Å; S422-Q425 PolarHBondContact O-N 3.4Å; T423-Q425 VanDerWaalsContact C-N 3.25Å
426N82.8Confident81.7Confident100 Ų10078 Ų7854%0.53541%0.407SS..SBendtrans-69.9155174.7-73.6-27.9000111.8T423 A424 R428T423-N426 PolarHBondContact O-N 3.27Å; A424-N426 VanDerWaalsContact C-N 3.3Å; A424-N426 PolarHBondContact O-N 3.17Å; N426-R428 PolarHBondContact O-N 2.79Å
427A90.5Very high80Confident38 Ų3878.6 Ų78.631%0.31441%0.408SS..  trans-65.3132.6173.500000110.1E310 A312 K327E310-A427 HydrophobicContact CG-CB 3.99Å; A312-A427 HydrophobicContact CB-CB 4.23Å; K327-A427 HydrophobicContact CG-CB 4.02Å
428R92.6Very high77.5Confident103 Ų10386.5 Ų86.539%0.38944%0.443SS..EExtended strand (participates in β ladder)trans-128.6145.8-178.3-67.6177.6-177.3-162.6-3.7110.3E310 F311 T423 N426 Y430E310-R428 WeakPolarHBondContact CA-O 3.31Å; F311-R428 PolarHBondContact N-O 2.78Å; F311-R428 VanDerWaalsContact N-O 3.14Å; F311-R428 PolarHBondContact O-N 2.96Å; T423-R428 VanDerWaalsContact C-NH2 3.32Å; T423-R428 PolarHBondContact O-NH2 3.18Å; N426-R428 PolarHBondContact O-N 2.79Å; R428-Y430 HydrophobicContact CB-CE2 3.74Å; R428-Y430 VanDerWaalsContact O-CD2 3.28Å; R428-Y430 WeakPolarHBondContact O-CD2 3.2Å; R428-Y430 WeakPolarHBondContact O-CE2 3.41Å
429W96Very high75.1Confident93 Ų9391.4 Ų91.435%0.35246%0.456SS..EExtended strand (participates in β ladder)trans-81.3135.5173.7-73.589.7000110.8E308 E310 T328 K330E308-W429 HydrophobicContact CB-CE3 3.65Å; E308-W429 HydrophobicContact CB-CZ3 4.1Å; E310-W429 HydrophobicContact CB-CD2 3.77Å; E310-W429 HydrophobicContact CB-CE3 3.89Å; E310-W429 HydrophobicContact CB-CG 4.38Å; E310-W429 HydrophobicContact CB-CH2 4Å; E310-W429 HydrophobicContact CB-CZ2 3.82Å; E310-W429 HydrophobicContact CB-CZ3 3.99Å; E310-W429 HydrophobicContact CG-CD2 4.2Å; E310-W429 HydrophobicContact CG-CG 4.39Å; E310-W429 HydrophobicContact CG-CZ2 4.33Å; E310-W429 PolarHBondContact OE1-NE1 2.78Å; T328-W429 HydrophobicContact CG2-CH2 3.55Å; T328-W429 HydrophobicContact CG2-CZ2 3.79Å; T328-W429 HydrophobicContact CG2-CZ3 4.5Å; K330-W429 HydrophobicContact CB-CH2 4.12Å; K330-W429 HydrophobicContact CB-CZ3 4.18Å; K330-W429 HydrophobicContact CD-CE3 4.13Å; K330-W429 HydrophobicContact CD-CH2 3.61Å; K330-W429 HydrophobicContact CD-CZ2 4.21Å; K330-W429 HydrophobicContact CD-CZ3 3.6Å; K330-W429 HydrophobicContact CG-CE3 4.36Å; K330-W429 HydrophobicContact CG-CH2 3.86Å; K330-W429 HydrophobicContact CG-CZ3 3.57Å
430Y96.2Very high72.6Confident33 Ų3399 Ų9913%0.12949%0.492CS..EExtended strand (participates in β ladder)trans-128.7127.2176-65.5-86.1000110.1E308 I309 F311 V410 L412 W417 R428 L432E308-Y430 CarbonylContact C-O 3.38Å; E308-Y430 WeakPolarHBondContact CA-O 3.48Å; I309-Y430 PolarHBondContact N-O 2.83Å; I309-Y430 PolarHBondContact O-N 2.84Å; F311-Y430 AromaticContact CD1-CD2 3.77Å; F311-Y430 HydrophobicContact CD1-CD2 3.77Å; F311-Y430 HydrophobicContact CD1-CE2 4.23Å; F311-Y430 AromaticContact CE1-CD2 3.25Å; F311-Y430 HydrophobicContact CE1-CD2 3.25Å; F311-Y430 AromaticContact CE1-CE2 3.81Å; F311-Y430 HydrophobicContact CE1-CE2 3.81Å; F311-Y430 AromaticContact CE1-CG 3.9Å; F311-Y430 HydrophobicContact CE1-CG 3.9Å; F311-Y430 HydrophobicContact CE2-CD2 4.45Å; F311-Y430 HydrophobicContact CE2-CE2 4.18Å; F311-Y430 AromaticContact CZ-CD2 3.66Å; F311-Y430 HydrophobicContact CZ-CD2 3.66Å; F311-Y430 AromaticContact CZ-CE2 3.78Å; F311-Y430 HydrophobicContact CZ-CE2 3.78Å; F311-Y430 HydrophobicContact CZ-CG 4.26Å; V410-Y430 HydrophobicContact CG1-CD1 3.93Å; V410-Y430 HydrophobicContact CG1-CG 3.98Å; L412-Y430 HydrophobicContact CD1-CE1 4Å; L412-Y430 HydrophobicContact CD1-CE2 4.48Å; L412-Y430 HydrophobicContact CD2-CD1 4.27Å; L412-Y430 HydrophobicContact CD2-CE1 3.88Å; W417-Y430 VanDerWaalsContact CH2-OH 3.24Å; W417-Y430 WeakPolarHBondContact CH2-OH 3.15Å; W417-Y430 VanDerWaalsContact CZ3-OH 3.29Å; W417-Y430 WeakPolarHBondContact CZ3-OH 3.45Å; R428-Y430 HydrophobicContact CB-CE2 3.74Å; R428-Y430 VanDerWaalsContact O-CD2 3.28Å; R428-Y430 WeakPolarHBondContact O-CD2 3.2Å; R428-Y430 WeakPolarHBondContact O-CE2 3.41Å; Y430-L432 PolarHBondContact O-N 2.83Å
431P96.5Very high70.6Confident67 Ų6796 Ų9644%0.43548%0.481SS..EExtended strand (participates in β ladder)trans-68.2132.5175.427.9-34.2000110.4
432L96.3Very high68.6Low14 Ų1499.9 Ų99.97%0.07350%0.502CS..  trans-73.5131.3177.9-67.8172.7000110V305 G307 I309 L332 V395 V410 Y430V305-L432 HydrophobicContact CG1-CB 3.96Å; V305-L432 WeakPolarHBondContact CG1-O 3.18Å; G307-L432 WeakPolarHBondContact O-CB 3.1Å; G307-L432 PolarHBondContact O-N 2.86Å; I309-L432 HydrophobicContact CB-CD2 4.14Å; I309-L432 HydrophobicContact CG2-CD2 3.64Å; I309-L432 HydrophobicContact CG2-CG 4.35Å; L332-L432 HydrophobicContact CD2-CD1 3.28Å; V395-L432 HydrophobicContact CB-CD1 4.37Å; V395-L432 HydrophobicContact CB-CD2 4.49Å; V395-L432 HydrophobicContact CG2-CD1 3.98Å; V395-L432 HydrophobicContact CG2-CD2 3.63Å; V395-L432 HydrophobicContact CG2-CG 4.49Å; V410-L432 HydrophobicContact CG2-CD2 4.17Å; Y430-L432 PolarHBondContact O-N 2.83Å
433R92.4Very high67.3Low181 Ų181100.9 Ų100.968%0.68350%0.499SS*.BIsolated β-bridgetrans-108145.8179.8-60.8-174-179.1-169.9-1.5111.2G408 E409G408-R433 CarbonylContact C-O 3.55Å; G408-R433 VanDerWaalsContact CA-O 3.26Å; G408-R433 WeakPolarHBondContact CA-O 3.46Å; E409-R433 PolarHBondContact N-O 3.29Å; E409-R433 PolarHBondContact O-N 3.35Å
434A86.9Confident66.2Low69 Ų69101 Ų10157%0.5750%0.501SS*.PPolyproline II helixtrans-58.6147.9165.300000109.9V305 A436V305-A434 HydrophobicContact CB-CB 4.37Å; V305-A434 HydrophobicContact CG2-CB 4.26Å; A434-A436 PolarHBondContact O-N 2.96Å
435K77.4Confident65.6Low79 Ų79104.6 Ų104.634%0.34352%0.517SS..PPolyproline II helixtrans-69.7116.6177-169.8179-173.5-170.40107.9F406 E437F406-K435 HydrophobicContact CD1-CB 4.43Å; F406-K435 HydrophobicContact CE1-CB 3.77Å; F406-K435 HydrophobicContact CZ-CB 3.92Å; K435-E437 PolarHBondContact O-N 3.27Å; K435-E437 VanDerWaalsContact O-N 3.15Å
436A60.6Low65.4Low89 Ų89106 Ų10674%0.73653%0.526SS*.PPolyproline II helixtrans-56.6120.9-179.200000110.4A434 K438A434-A436 PolarHBondContact O-N 2.96Å; A436-K438 PolarHBondContact O-N 3.31Å
437E41.7Very low65.1Low166 Ų166102.3 Ų102.378%0.77651%0.507SS*.  trans-72.2111173.6-66.9-164.5157.400109K435K435-E437 PolarHBondContact O-N 3.27Å; K435-E437 VanDerWaalsContact O-N 3.15Å
438K31.5Very low64.8Low193 Ų193100.5 Ų100.584%0.83949%0.492SS*.  trans4275.4165.5-64.2-178.6179175.70116.1A436A436-K438 PolarHBondContact O-N 3.31Å
439Y30.9Very low64.7Low189 Ų18997.6 Ų97.674%0.74148%0.483SS*.  trans-112.1110.8133.6-90.9-82.1000108.9E441Y439-E441 HydrophobicContact CD1-CG 3.79Å; Y439-E441 HydrophobicContact CG-CG 4.1Å; Y439-E441 PolarHBondContact O-N 2.82Å
440E30.3Very low64.5Low192 Ų19293.2 Ų93.290%0.89747%0.466SS*.  trans-74.966.9151.2-73.1-159.9148.700107.8N442E440-N442 VanDerWaalsContact C-N 3.31Å; E440-N442 PolarHBondContact O-N 2.91Å
441E31.9Very low64.4Low127 Ų12793.2 Ų93.259%0.59347%0.473SS*.  trans-71.590.9171.8-98.5165.1-166.100108.7Y439 I443Y439-E441 HydrophobicContact CD1-CG 3.79Å; Y439-E441 HydrophobicContact CG-CG 4.1Å; Y439-E441 PolarHBondContact O-N 2.82Å; E441-I443 PolarHBondContact O-N 3.46Å
442N32.3Very low64.3Low137 Ų13790 Ų9073%0.73345%0.452SS*.  28.123.8116.9-66.6-36.7000120E440 P444E440-N442 VanDerWaalsContact C-N 3.31Å; E440-N442 PolarHBondContact O-N 2.91Å; N442-P444 WeakPolarHBondContact O-CD 3.31Å
443I40.8Very low64.2Low112 Ų11293.8 Ų93.857%0.57447%0.465SS*.  trans-77.6118.3156.8-56.8175.5000105.6E441 Q445E441-I443 PolarHBondContact O-N 3.46Å; I443-Q445 PolarHBondContact O-N 3.32Å
444P44.5Very low64.3Low78 Ų7885.2 Ų85.251%0.50643%0.433SS..  trans-62.697.1175.2-19.332.7000109.2N442 N446N442-P444 WeakPolarHBondContact O-CD 3.31Å; P444-N446 PolarHBondContact O-N 2.94Å
445Q54.9Low64.6Low82 Ų8284.2 Ų84.238%0.38342%0.416SS..  trans-71.399.2173.4-77176.841.500106.8I443 N447I443-Q445 PolarHBondContact O-N 3.32Å; Q445-N447 VanDerWaalsContact C-N 3.31Å; Q445-N447 PolarHBondContact O-N 3.27Å
446N66.4Low65.2Low84 Ų8480.4 Ų80.445%0.44940%0.4SS..  trans-62.397.3170.1-178.2-13.4000107.9P444 G448 V605P444-N446 PolarHBondContact O-N 2.94Å; N446-G448 PolarHBondContact O-N 3.46Å; N446-G448 WeakPolarHBondContact OD1-CA 3.35Å; N446-G448 PolarHBondContact OD1-N 2.8Å; N446-G448 PolarHBondContact OD1-O 3.34Å; N446-V605 HydrophobicContact CB-CG1 4.49Å
447N77Confident66.5Low23 Ų2378 Ų7812%0.12338%0.376CS..  trans-85.615.5-178.4-83.8-38.2000112Q445 P490 L564 L606 H607Q445-N447 VanDerWaalsContact C-N 3.31Å; Q445-N447 PolarHBondContact O-N 3.27Å; N447-P490 VanDerWaalsContact O-CD 3.22Å; N447-P490 WeakPolarHBondContact O-CD 3.35Å; N447-L564 VanDerWaalsContact CB-O 3.32Å; N447-L564 WeakPolarHBondContact CB-O 3.31Å; N447-L606 HydrophobicContact CB-CB 4.18Å; N447-L606 PolarHBondContact N-O 2.93Å; N447-H607 VanDerWaalsContact ND2-C 3.35Å; N447-H607 PolarHBondContact ND2-OXT 3.26Å
448G84.1Confident68.5Low0 Ų072.4 Ų72.40%035%0.351CS..  trans118.2-177.5177.900000112.6N446 K487 N488 L606N446-G448 PolarHBondContact O-N 3.46Å; N446-G448 WeakPolarHBondContact OD1-CA 3.35Å; N446-G448 PolarHBondContact OD1-N 2.8Å; N446-G448 PolarHBondContact OD1-O 3.34Å; G448-K487 CarbonylContact C-O 3.57Å; G448-K487 VanDerWaalsContact CA-O 3.25Å; G448-K487 WeakPolarHBondContact CA-O 3.41Å; G448-N488 WeakPolarHBondContact CA-O 3.41Å; G448-L606 WeakPolarHBondContact O-CB 3.34Å; G448-L606 PolarHBondContact O-N 3.29Å
449E89.2Confident70.5Confident42 Ų4266.3 Ų66.320%0.19633%0.331CS..EExtended strand (participates in β ladder)trans-121.8134.8176.7-68.3166.3-10500110A486 K487 T603 L604E449-A486 CarbonylContact O-C 3.59Å; E449-A486 WeakPolarHBondContact O-CA 3Å; E449-A486 WeakPolarHBondContact O-CB 3.34Å; E449-K487 HydrophobicContact CB-CG 3.97Å; E449-K487 PolarHBondContact N-O 2.76Å; E449-K487 PolarHBondContact O-N 2.85Å; E449-K487 WeakPolarHBondContact OE1-CE 3.36Å; E449-K487 IonicContact OE1-NZ 2.69Å; E449-K487 PolarHBondContact OE1-NZ 2.84Å; E449-K487 WeakPolarHBondContact OE2-CE 3.38Å; E449-K487 IonicContact OE2-NZ 3.78Å; E449-K487 PolarHBondContact OE2-NZ 3.15Å; E449-T603 HydrophobicContact CB-CG2 3.93Å; E449-T603 HydrophobicContact CG-CG2 4.23Å; E449-T603 WeakPolarHBondContact OE2-CG2 3.4Å; E449-L604 CarbonylContact C-O 3.48Å; E449-L604 WeakPolarHBondContact CA-O 3.3Å
450L93.6Very high72Confident0 Ų062 Ų620%034%0.335CS..EExtended strand (participates in β ladder)trans-108.6116.2176.1-175.570.2000109.5V452 V483 A486 V501 W528 L549 V551 L604 L606L450-V452 HydrophobicContact CD2-CG1 4.07Å; L450-V452 HydrophobicContact CG-CG1 3.93Å; L450-V483 HydrophobicContact CD1-CG1 3.94Å; L450-A486 HydrophobicContact CD1-CB 3.97Å; L450-V501 HydrophobicContact CD1-CG2 4.29Å; L450-W528 HydrophobicContact CD1-CZ3 3.9Å; L450-L549 HydrophobicContact CD2-CB 4.04Å; L450-L549 HydrophobicContact CD2-CD1 4.06Å; L450-V551 HydrophobicContact CD1-CG2 4.06Å; L450-V551 HydrophobicContact CD2-CG2 4.23Å; L450-L604 HydrophobicContact CB-CB 4.44Å; L450-L604 PolarHBondContact N-O 3.18Å; L450-L604 PolarHBondContact O-N 2.97Å; L450-L606 HydrophobicContact CB-CD1 4.3Å; L450-L606 HydrophobicContact CB-CD2 4.01Å; L450-L606 HydrophobicContact CB-CG 4.2Å; L450-L606 HydrophobicContact CD2-CD2 4.44Å
451A93.4Very high73.3Confident33 Ų3355 Ų5527%0.27331%0.314SS..EExtended strand (participates in β ladder)trans-87.5125.4175.400000110.2L484 G485A451-L484 HydrophobicContact CB-CB 4.21Å; A451-L484 HydrophobicContact CB-CD1 4.36Å; A451-L484 WeakPolarHBondContact O-CB 3.06Å; A451-L484 PolarHBondContact O-N 3.11Å; A451-G485 PolarHBondContact N-O 3.47Å; A451-G485 PolarHBondContact O-N 3.03Å
452V94.9Very high74Confident1 Ų154.6 Ų54.61%0.00632%0.322CS..EExtended strand (participates in β ladder)trans-136.5157.2-179.8-55.30000111.6L450 L481 V482 L549 M602 L604L450-V452 HydrophobicContact CD2-CG1 4.07Å; L450-V452 HydrophobicContact CG-CG1 3.93Å; V452-L481 HydrophobicContact CB-CD1 4Å; V452-L481 HydrophobicContact CG2-CD1 4.11Å; V452-V482 CarbonylContact C-O 3.55Å; V452-V482 WeakPolarHBondContact CA-O 3.49Å; V452-L549 HydrophobicContact CG1-CD1 4.06Å; V452-M602 HydrophobicContact CG2-CB 3.97Å; V452-M602 HydrophobicContact CG2-CE 3.71Å; V452-M602 PolarHBondContact N-O 3.03Å; V452-M602 PolarHBondContact O-N 2.82Å; V452-L604 HydrophobicContact CG1-CD1 4.29Å; V452-L604 HydrophobicContact CG2-CD1 3.84Å; V452-L604 HydrophobicContact CG2-CG 4.22Å
453R94.1Very high74.4Confident93 Ų9360 Ų6035%0.35133%0.332SS..EExtended strand (participates in β ladder)trans-129.4125.7174.4164179.2-65176.91.2108.8L481 V482 L484 W599 T600 D601R453-L481 CarbonylContact O-C 3.58Å; R453-L481 WeakPolarHBondContact O-CA 3.29Å; R453-V482 HydrophobicContact CB-CB 4.35Å; R453-V482 PolarHBondContact N-O 3.42Å; R453-V482 PolarHBondContact O-N 2.98Å; R453-L484 HydrophobicContact CB-CD1 4.42Å; R453-W599 HydrophobicContact CG-CB 4.12Å; R453-W599 HydrophobicContact CG-CD2 3.9Å; R453-W599 HydrophobicContact CG-CE3 3.35Å; R453-W599 HydrophobicContact CG-CG 4.27Å; R453-W599 HydrophobicContact CG-CZ3 3.96Å; R453-T600 CarbonylContact C-O 3.51Å; R453-T600 WeakPolarHBondContact CA-O 3.43Å; R453-D601 WeakPolarHBondContact CB-OD1 3.36Å; R453-D601 VanDerWaalsContact CG-OD1 3.25Å; R453-D601 WeakPolarHBondContact CG-OD1 3.44Å; R453-D601 IonicContact CZ-OD1 2.63Å; R453-D601 IonicContact CZ-OD2 2.99Å; R453-D601 IonicContact NE-OD1 3.53Å; R453-D601 PolarHBondContact NE-OD1 3.01Å; R453-D601 IonicContact NE-OD2 3.48Å; R453-D601 PolarHBondContact NE-OD2 3.17Å; R453-D601 IonicContact NH2-OD1 3.6Å; R453-D601 PolarHBondContact NH2-OD1 3.45Å; R453-D601 IonicContact NH2-OD2 4Å; R453-D601 PolarHBondContact NH2-OD2 2.99Å
454A94Very high74.5Confident1 Ų162.7 Ų62.71%0.00834%0.34CS..EExtended strand (participates in β ladder)trans-121.6149-175.700000112.5C480 L481 V592 T600 M602A454-C480 CarbonylContact C-O 3.59Å; A454-C480 WeakPolarHBondContact CA-O 3.31Å; A454-L481 HydrophobicContact CB-CD1 3.76Å; A454-V592 HydrophobicContact CB-CB 4.45Å; A454-V592 HydrophobicContact CB-CG1 3.77Å; A454-V592 HydrophobicContact CB-CG2 3.72Å; A454-T600 PolarHBondContact N-O 3.26Å; A454-T600 PolarHBondContact O-N 2.84Å; A454-M602 HydrophobicContact CB-CE 3.7Å
455K92.4Very high74Confident47 Ų4765.4 Ų65.420%0.20436%0.357CS..EExtended strand (participates in β ladder)trans-148.8127175.8166.8164.6161.61550109.9V457 C480 N597 L598 W599K455-V457 HydrophobicContact CD-CG2 4.46Å; K455-V457 HydrophobicContact CG-CG2 4.09Å; K455-C480 PolarHBondContact N-O 2.77Å; K455-C480 PolarHBondContact O-N 3.3Å; K455-N597 WeakPolarHBondContact CE-O 3.19Å; K455-N597 PolarHBondContact NZ-O 2.72Å; K455-L598 WeakPolarHBondContact CA-O 3.12Å; K455-L598 VanDerWaalsContact CB-O 3.29Å; K455-L598 WeakPolarHBondContact CB-O 3.45Å; K455-L598 WeakPolarHBondContact CG-O 2.8Å; K455-W599 HydrophobicContact CB-CD2 3.67Å; K455-W599 HydrophobicContact CB-CE3 3.26Å; K455-W599 HydrophobicContact CB-CG 4.35Å; K455-W599 HydrophobicContact CB-CH2 4.25Å; K455-W599 HydrophobicContact CB-CZ3 3.59Å; K455-W599 HydrophobicContact CD-CD2 3.84Å; K455-W599 HydrophobicContact CD-CE3 4.29Å; K455-W599 HydrophobicContact CD-CG 4.13Å; K455-W599 HydrophobicContact CD-CZ2 4.29Å; K455-W599 HydrophobicContact CG-CD2 4.41Å; K455-W599 HydrophobicContact CG-CE3 4.4Å
456L90.6Very high73.1Confident0 Ų069.8 Ų69.80%038%0.378CS..EExtended strand (participates in β ladder)trans-87.5112.4166.9174.854.9000108.8L458 L542 L593 N597L456-L458 HydrophobicContact CD1-CD2 4.11Å; L456-L458 HydrophobicContact CD2-CD2 4.25Å; L456-L458 HydrophobicContact CD2-CG 4.49Å; L456-L458 HydrophobicContact CG-CD2 4.07Å; L456-L458 HydrophobicContact CG-CG 4.19Å; L456-L542 HydrophobicContact CD1-CD1 3.49Å; L456-L542 VanDerWaalsContact CD1-CD1 3.49Å; L456-L542 HydrophobicContact CD2-CD1 4.09Å; L456-L542 HydrophobicContact CG-CD1 4.37Å; L456-L593 HydrophobicContact CD2-CD2 4.03Å; L456-N597 PolarHBondContact O-N 3.46Å
457V87.5Confident71.5Confident39 Ų3975.4 Ų75.424%0.23640%0.401CS..EExtended strand (participates in β ladder)trans-87.6123.9171.6-172.80000108.5K455 G477 Q478 N597K455-V457 HydrophobicContact CD-CG2 4.46Å; K455-V457 HydrophobicContact CG-CG2 4.09Å; V457-G477 CarbonylContact O-C 3.58Å; V457-G477 WeakPolarHBondContact O-CA 3.24Å; V457-Q478 HydrophobicContact CB-CB 4.25Å; V457-Q478 PolarHBondContact N-O 3.2Å; V457-Q478 PolarHBondContact O-N 3.03Å; V457-N597 WeakPolarHBondContact CA-OD1 3.25Å
458L83.8Confident69.5Low47 Ų4778.3 Ų78.325%0.24643%0.429CS..  trans-112.2135.2170.3-62.9178.5000108.5L456 A460 P596 N597L456-L458 HydrophobicContact CD1-CD2 4.11Å; L456-L458 HydrophobicContact CD2-CD2 4.25Å; L456-L458 HydrophobicContact CD2-CG 4.49Å; L456-L458 HydrophobicContact CG-CD2 4.07Å; L456-L458 HydrophobicContact CG-CG 4.19Å; L458-A460 PolarHBondContact O-N 2.98Å; L458-P596 HydrophobicContact CD1-CB 3.77Å; L458-P596 HydrophobicContact CD1-CG 4.35Å; L458-P596 HydrophobicContact CG-CB 4.15Å; L458-N597 PolarHBondContact N-OD1 3.27Å
459P74.2Confident67.2Low65 Ų6587.4 Ų87.442%0.42247%0.471SS..PPolyproline II helixtrans-60.1134.6174.920.6-26.8000109.9G461 L475 N476P459-G461 PolarHBondContact O-N 3.34Å; P459-L475 HydrophobicContact CG-CD2 4.07Å; P459-N476 WeakPolarHBondContact CD-O 3.45Å
460A61.8Low64.4Low100 Ų10095.6 Ų95.683%0.82651%0.509SS*.PPolyproline II helixtrans-63.9126.5171.300000108.6L458L458-A460 PolarHBondContact O-N 2.98Å
461G57.8Low61.4Low44 Ų4498.1 Ų98.145%0.45454%0.536SS..PPolyproline II helixtrans-60.6156.9-18000000112.5P459 R463P459-G461 PolarHBondContact O-N 3.34Å; G461-R463 PolarHBondContact O-N 2.96Å
462P46Very low58.5Low118 Ų118106.1 Ų106.177%0.76657%0.568SS**PPolyproline II helixtrans-59.3131.5178.225.3-33.5000110.6K464P462-K464 PolarHBondContact O-N 2.85Å
463R42.3Very low55.7Low250 Ų250113.3 Ų113.394%0.94361%0.605SS**SBendtrans-7522.9-178.3-71.5-177.5171.4172.6-3.9114.2G461G461-R463 PolarHBondContact O-N 2.96Å
464K41.1Very low53.6Low170 Ų170111.8 Ų111.874%0.73961%0.613SS**  trans-139.6120.2177.2-70.3-167.4174.3-1740110.1P462 Q466P462-K464 PolarHBondContact O-N 2.85Å; K464-Q466 PolarHBondContact O-N 2.82Å
465P35.1Very low51.9Low135 Ų135117 Ų11788%0.87764%0.639SS**  trans-88.274.7176.135.3-32.8000110.2
466Q35Very low50.9Low173 Ų173119.6 Ų119.681%0.80866%0.656SS**SBendtrans-155.4139.5169.7-105.5152.916.300108.1K464K464-Q466 PolarHBondContact O-N 2.82Å
467E34.4Very low50.4Low202 Ų202119.6 Ų119.694%0.94466%0.656SS**  trans6365.8178.4-57.6-177.3171.600116.2
468A34Very low50.5Low85 Ų85121.8 Ų121.870%0.70266%0.664SS**  trans-128.5108.3152.600000108.7
469Q35.7Very low50.8Low190 Ų190119.6 Ų119.689%0.88865%0.652SS**  trans-57.7143.3171.8-79.2176.3-24.100110.3G471Q469-G471 VanDerWaalsContact C-N 3.34Å; Q469-G471 PolarHBondContact O-N 3.49Å
470E29.7Very low51.7Low214 Ų214117.6 Ų117.6100%164%0.639SS**SBendtrans-65.889.2177.7-65.4-177.3122.900110.6
471G30.7Very low53.2Low54 Ų54112.9 Ų112.956%0.55760%0.6SS**SBendtrans-162.564.4-169.600000114Q469 L473Q469-G471 VanDerWaalsContact C-N 3.34Å; Q469-G471 PolarHBondContact O-N 3.49Å; G471-L473 VanDerWaalsContact C-N 3.33Å; G471-L473 PolarHBondContact O-N 2.8Å
472Q32.6Very low55Low201 Ų201111.8 Ų111.894%0.93959%0.585SS**  trans39.146.1157.9-66.6-178.1-17.800117.7A474Q472-A474 VanDerWaalsContact C-N 3.27Å; Q472-A474 PolarHBondContact O-N 2.86Å
473L36.5Very low57.3Low151 Ų151106.1 Ų106.179%0.79155%0.548SS*.  trans-71.382.9168.8-84.9158.2000110.6G471 L475G471-L473 VanDerWaalsContact C-N 3.33Å; G471-L473 PolarHBondContact O-N 2.8Å; L473-L475 PolarHBondContact O-N 2.69Å
474A50.5Low59.7Low62 Ų6296.9 Ų96.951%0.51252%0.517SS..  trans-61.3103.1172.100000109.7Q472 N476Q472-A474 VanDerWaalsContact C-N 3.27Å; Q472-A474 PolarHBondContact O-N 2.86Å; A474-N476 PolarHBondContact O-N 3.5Å
475L57.7Low62.2Low109 Ų10989.2 Ų89.257%0.57149%0.486SS*.  trans-57.9101.9179.2-74.8160.6000110.3P459 L473 G477P459-L475 HydrophobicContact CG-CD2 4.07Å; L473-L475 PolarHBondContact O-N 2.69Å; L475-G477 PolarHBondContact O-N 2.85Å
476N71.8Confident64.9Low102 Ų10283.2 Ų83.255%0.54545%0.448SS..EExtended strand (participates in β ladder)trans-70.2112.7180-76.9-34000110P459 A474P459-N476 WeakPolarHBondContact CD-O 3.45Å; A474-N476 PolarHBondContact O-N 3.5Å
477G80.9Confident67.4Low1 Ų179.6 Ų79.61%0.0143%0.429CS..EExtended strand (participates in β ladder)trans-91.5179.9175.600000113.2V457 L475 G536 V537V457-G477 CarbonylContact O-C 3.58Å; V457-G477 WeakPolarHBondContact O-CA 3.24Å; L475-G477 PolarHBondContact O-N 2.85Å; G477-G536 PolarHBondContact O-N 3.44Å; G477-V537 CarbonylContact C-O 3.59Å; G477-V537 VanDerWaalsContact CA-O 3.29Å; G477-V537 WeakPolarHBondContact CA-O 3.5Å; G477-V537 PolarHBondContact N-O 3.01Å; G477-V537 PolarHBondContact O-N 2.91Å; G477-V537 VanDerWaalsContact O-N 3.15Å
478Q88.2Confident69.7Low85 Ų8574.8 Ų74.840%0.39741%0.41SS..EExtended strand (participates in β ladder)trans-126127.9170.9-56176.3-21.700109.3V457 V533 F534 N535V457-Q478 HydrophobicContact CB-CB 4.25Å; V457-Q478 PolarHBondContact N-O 3.2Å; V457-Q478 PolarHBondContact O-N 3.03Å; Q478-V533 HydrophobicContact CB-CG1 4.37Å; Q478-F534 CarbonylContact C-O 3.52Å; Q478-F534 WeakPolarHBondContact CA-O 3.22Å; Q478-N535 WeakPolarHBondContact CG-OD1 3.45Å; Q478-N535 PolarHBondContact NE2-OD1 3Å
479L91.1Very high72.2Confident1 Ų170.9 Ų70.91%0.00538%0.378CS..EExtended strand (participates in β ladder)trans-93.8110.8169.8178.668.8000109.2L505 V533 F534 V537 L542 W589 V592L479-L505 HydrophobicContact CD2-CD2 4.31Å; L479-V533 WeakPolarHBondContact O-CA 3.23Å; L479-F534 HydrophobicContact CB-CB 4.28Å; L479-F534 HydrophobicContact CB-CD2 4.28Å; L479-F534 HydrophobicContact CD2-CD2 4.02Å; L479-F534 HydrophobicContact CG-CD2 4.27Å; L479-F534 PolarHBondContact N-O 3.43Å; L479-F534 PolarHBondContact O-N 2.88Å; L479-V537 HydrophobicContact CB-CG2 4.17Å; L479-L542 HydrophobicContact CB-CD1 4.46Å; L479-L542 HydrophobicContact CD2-CD2 4.13Å; L479-W589 HydrophobicContact CD2-CH2 3.64Å; L479-W589 HydrophobicContact CD2-CZ3 4.13Å; L479-V592 HydrophobicContact CD1-CG1 4.14Å
480C92.3Very high74.4Confident22 Ų2262.3 Ų62.315%0.14934%0.338CS..EExtended strand (participates in β ladder)trans-96.2128.3175.4-64.70000109.9A454 K455 W599A454-C480 CarbonylContact C-O 3.59Å; A454-C480 WeakPolarHBondContact CA-O 3.31Å; K455-C480 PolarHBondContact N-O 2.77Å; K455-C480 PolarHBondContact O-N 3.3Å; C480-W599 HydrophobicContact CB-CH2 3.98Å; C480-W599 HydrophobicContact CB-CZ3 4.18Å
481L94.1Very high76.7Confident1 Ų152.6 Ų52.61%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-131.1119.2176.6-177.479.9000109.9V452 R453 A454 V483 S531 F532 L547 L549V452-L481 HydrophobicContact CB-CD1 4Å; V452-L481 HydrophobicContact CG2-CD1 4.11Å; R453-L481 CarbonylContact O-C 3.58Å; R453-L481 WeakPolarHBondContact O-CA 3.29Å; A454-L481 HydrophobicContact CB-CD1 3.76Å; L481-V483 HydrophobicContact CD2-CG2 4.32Å; L481-S531 CarbonylContact O-C 3.56Å; L481-S531 WeakPolarHBondContact O-CA 3.38Å; L481-F532 HydrophobicContact CB-CB 4.43Å; L481-F532 HydrophobicContact CD2-CD2 4.17Å; L481-F532 PolarHBondContact N-O 2.85Å; L481-F532 PolarHBondContact O-N 3.06Å; L481-L547 HydrophobicContact CD2-CD2 4.15Å; L481-L549 HydrophobicContact CD2-CD1 3.96Å; L481-L549 HydrophobicContact CD2-CD2 3.66Å; L481-L549 HydrophobicContact CD2-CG 4.44Å
482V94.8Very high78.8Confident21 Ų2152 Ų5213%0.12728%0.275CS..EExtended strand (participates in β ladder)trans-97117.2171.8-171.60000108.8V452 R453 L484 W599V452-V482 CarbonylContact C-O 3.55Å; V452-V482 WeakPolarHBondContact CA-O 3.49Å; R453-V482 HydrophobicContact CB-CB 4.35Å; R453-V482 PolarHBondContact N-O 3.42Å; R453-V482 PolarHBondContact O-N 2.98Å; V482-L484 HydrophobicContact CG1-CD2 3.88Å; V482-L484 PolarHBondContact O-N 2.74Å; V482-W599 HydrophobicContact CG2-CH2 3.77Å; V482-W599 HydrophobicContact CG2-CZ3 3.94Å
483V95Very high80.4Confident0 Ų044.6 Ų44.60%025%0.245CC..EExtended strand (participates in β ladder)trans-84.9106.5171.6-177.50000108L450 L481 V501 W528 K529 H530 F532L450-V483 HydrophobicContact CD1-CG1 3.94Å; L481-V483 HydrophobicContact CD2-CG2 4.32Å; V483-V501 HydrophobicContact CG1-CB 4.36Å; V483-V501 HydrophobicContact CG1-CG1 4.45Å; V483-V501 HydrophobicContact CG1-CG2 3.95Å; V483-V501 HydrophobicContact CG2-CG1 4.44Å; V483-W528 HydrophobicContact CG1-CD2 4.47Å; V483-W528 HydrophobicContact CG1-CE3 3.81Å; V483-W528 HydrophobicContact CG1-CZ3 4.42Å; V483-K529 CarbonylContact O-C 3.42Å; V483-K529 VanDerWaalsContact O-CA 3.27Å; V483-K529 WeakPolarHBondContact O-CA 3.43Å; V483-K529 PolarHBondContact O-N 2.82Å; V483-H530 PolarHBondContact N-O 3.31Å; V483-H530 PolarHBondContact O-N 2.93Å; V483-F532 HydrophobicContact CG2-CD2 3.97Å; V483-F532 HydrophobicContact CG2-CE2 3.66Å; V483-F532 HydrophobicContact CG2-CZ 4.35Å
484L93.3Very high82Confident56 Ų5642.2 Ų42.229%0.29323%0.233SC..EExtended strand (participates in β ladder)trans-76.8-55.1-172.6-59.2171.6000110.7A451 R453 V482 Q527 W528 K529A451-L484 HydrophobicContact CB-CB 4.21Å; A451-L484 HydrophobicContact CB-CD1 4.36Å; A451-L484 WeakPolarHBondContact O-CB 3.06Å; A451-L484 PolarHBondContact O-N 3.11Å; R453-L484 HydrophobicContact CB-CD1 4.42Å; V482-L484 HydrophobicContact CG1-CD2 3.88Å; V482-L484 PolarHBondContact O-N 2.74Å; L484-Q527 CarbonylContact O-C 3.5Å; L484-Q527 WeakPolarHBondContact O-CA 3.49Å; L484-W528 PolarHBondContact O-N 2.99Å; L484-W528 VanDerWaalsContact O-N 3.12Å; L484-K529 PolarHBondContact O-N 2.7Å; L484-K529 VanDerWaalsContact O-N 3.1Å
485G92Very high82.9Confident9 Ų940.9 Ų40.99%0.09323%0.226CC..EExtended strand (participates in β ladder)trans176.5177.5-177.600000112.7A451 P526A451-G485 PolarHBondContact N-O 3.47Å; A451-G485 PolarHBondContact O-N 3.03Å; G485-P526 CarbonylContact C-O 3.57Å; G485-P526 WeakPolarHBondContact CA-O 3.45Å
486A92.2Very high83.8Confident8 Ų837.2 Ų37.27%0.06621%0.208CC..EExtended strand (participates in β ladder)trans-135.1151.5174.800000112.4E449 L450 L489 C525 P526 W528E449-A486 CarbonylContact O-C 3.59Å; E449-A486 WeakPolarHBondContact O-CA 3Å; E449-A486 WeakPolarHBondContact O-CB 3.34Å; L450-A486 HydrophobicContact CD1-CB 3.97Å; A486-L489 HydrophobicContact CB-CD1 3.85Å; A486-L489 HydrophobicContact CB-CD2 4.09Å; A486-L489 HydrophobicContact CB-CG 3.98Å; A486-C525 WeakPolarHBondContact O-CA 3.31Å; A486-P526 HydrophobicContact CB-CG 4.23Å; A486-P526 PolarHBondContact N-O 2.76Å; A486-P526 WeakPolarHBondContact O-CD 3.22Å; A486-W528 HydrophobicContact CB-CH2 4.09Å; A486-W528 HydrophobicContact CB-CZ3 3.79Å
487K87.1Confident84.4Confident97 Ų9732.4 Ų32.442%0.42218%0.182SC..EExtended strand (participates in β ladder)trans-129.3162.4176.756.2171.7167.6133.70110.4G448 E449 L489G448-K487 CarbonylContact C-O 3.57Å; G448-K487 VanDerWaalsContact CA-O 3.25Å; G448-K487 WeakPolarHBondContact CA-O 3.41Å; E449-K487 HydrophobicContact CB-CG 3.97Å; E449-K487 PolarHBondContact N-O 2.76Å; E449-K487 PolarHBondContact O-N 2.85Å; E449-K487 WeakPolarHBondContact OE1-CE 3.36Å; E449-K487 IonicContact OE1-NZ 2.69Å; E449-K487 PolarHBondContact OE1-NZ 2.84Å; E449-K487 WeakPolarHBondContact OE2-CE 3.38Å; E449-K487 IonicContact OE2-NZ 3.78Å; E449-K487 PolarHBondContact OE2-NZ 3.15Å; K487-L489 PolarHBondContact O-N 3.36Å; K487-L489 VanDerWaalsContact O-N 3.16Å
488N83.1Confident84.8Confident101 Ų10133.1 Ų33.154%0.5419%0.186SC..SBendtrans58.623.3177.5-56.8-19.4000114.9G448G448-N488 WeakPolarHBondContact CA-O 3.41Å
489L86Confident85Confident4 Ų429 Ų292%0.02117%0.167CC..  trans-67.4148.7177.5-66.6179.1000112.2A486 K487 V491 L497 P526 V551 L564 L606A486-L489 HydrophobicContact CB-CD1 3.85Å; A486-L489 HydrophobicContact CB-CD2 4.09Å; A486-L489 HydrophobicContact CB-CG 3.98Å; K487-L489 PolarHBondContact O-N 3.36Å; K487-L489 VanDerWaalsContact O-N 3.16Å; L489-V491 PolarHBondContact O-N 3.09Å; L489-L497 HydrophobicContact CB-CD1 3.82Å; L489-L497 HydrophobicContact CD1-CD1 4.06Å; L489-P526 HydrophobicContact CD1-CG 3.71Å; L489-V551 HydrophobicContact CD1-CG1 4.1Å; L489-V551 HydrophobicContact CD2-CG1 4.19Å; L489-L564 HydrophobicContact CD1-CD1 4.29Å; L489-L606 HydrophobicContact CD2-CD1 3.5Å
490P82Confident85.1Confident9 Ų929 Ų296%0.05817%0.166CC..  trans-70.887.2174.625.9-31.9000112P352 N447 L564P352-P490 HydrophobicContact CG-CB 3.99Å; N447-P490 VanDerWaalsContact O-CD 3.22Å; N447-P490 WeakPolarHBondContact O-CD 3.35Å; P490-L564 HydrophobicContact CG-CB 4.32Å; P490-L564 HydrophobicContact CG-CD2 3.97Å; P490-L564 WeakPolarHBondContact O-CD2 3.24Å
491V79.3Confident85.3Confident11 Ų1128 Ų287%0.06716%0.159CC..  trans-64159.7177.5-62.20000113.9L489 L497 A524L489-V491 PolarHBondContact O-N 3.09Å; V491-L497 HydrophobicContact CB-CD1 4.48Å; V491-L497 HydrophobicContact CB-CG 4.3Å; V491-L497 HydrophobicContact CG1-CD1 3.9Å; V491-L497 HydrophobicContact CG1-CG 4.09Å; V491-A524 HydrophobicContact CG1-CB 4.06Å
492R74.7Confident85.4Confident41 Ų4131.1 Ų31.116%0.15517%0.173CC..  trans-70.4170.5171.1-64.3167.6177.4160.5-6.8111.4D494 G495 T496 L497 N498 D553 Q554R492-D494 PolarHBondContact O-N 3.1Å; R492-G495 PolarHBondContact O-N 3.23Å; R492-T496 VanDerWaalsContact CB-O 3.28Å; R492-T496 WeakPolarHBondContact CB-O 3.44Å; R492-T496 WeakPolarHBondContact CD-O 3.48Å; R492-T496 WeakPolarHBondContact CG-O 3.48Å; R492-T496 PolarHBondContact N-O 3.49Å; R492-L497 HydrophobicContact CG-CD2 4.2Å; R492-N498 PolarHBondContact NH1-ND2 2.92Å; R492-D553 VanDerWaalsContact CZ-CG 3.46Å; R492-D553 IonicContact CZ-OD1 3.84Å; R492-D553 IonicContact CZ-OD2 2.67Å; R492-D553 IonicContact NE-OD1 2.72Å; R492-D553 PolarHBondContact NE-OD1 3.07Å; R492-D553 IonicContact NE-OD2 2.61Å; R492-D553 PolarHBondContact NE-OD2 2.81Å; R492-D553 IonicContact NH1-OD1 2.68Å; R492-D553 IonicContact NH2-OD1 3.43Å; R492-D553 PolarHBondContact NH2-OD1 3.31Å; R492-D553 IonicContact NH2-OD2 3.55Å; R492-D553 PolarHBondContact NH2-OD2 3.27Å; R492-Q554 PolarHBondContact NH2-O 2.94Å
493S66.2Low85.3Confident45 Ų4530.1 Ų30.132%0.31517%0.167SC..THydrogen-bonded Turntrans-60.9-9.4175.465.40000115.9
494D69.9Low85.3Confident101 Ų10130.9 Ų30.954%0.5417%0.172SC..THydrogen-bonded Turntrans-97.56.6172.964.115.9000113R492 T496R492-D494 PolarHBondContact O-N 3.1Å; D494-T496 VanDerWaalsContact C-N 3.25Å; D494-T496 PolarHBondContact O-N 2.74Å; D494-T496 WeakPolarHBondContact OD1-CA 3.42Å; D494-T496 WeakPolarHBondContact OD1-CB 3.26Å; D494-T496 PolarHBondContact OD1-N 2.93Å; D494-T496 PolarHBondContact OD1-OG1 3.11Å
495G69.1Low85.2Confident35 Ų3528.2 Ų28.236%0.36116%0.158SC..SBendtrans78.9-0.1-176.600000114.4R492 A524R492-G495 PolarHBondContact O-N 3.23Å; G495-A524 WeakPolarHBondContact O-CB 3.32Å
496T77.6Confident85.2Confident32 Ų3228.6 Ų28.620%0.19616%0.159CC..  trans-123.3163.4-170.979.10000114.2R492 D494 K522R492-T496 VanDerWaalsContact CB-O 3.28Å; R492-T496 WeakPolarHBondContact CB-O 3.44Å; R492-T496 WeakPolarHBondContact CD-O 3.48Å; R492-T496 WeakPolarHBondContact CG-O 3.48Å; R492-T496 PolarHBondContact N-O 3.49Å; D494-T496 VanDerWaalsContact C-N 3.25Å; D494-T496 PolarHBondContact O-N 2.74Å; D494-T496 WeakPolarHBondContact OD1-CA 3.42Å; D494-T496 WeakPolarHBondContact OD1-CB 3.26Å; D494-T496 PolarHBondContact OD1-N 2.93Å; D494-T496 PolarHBondContact OD1-OG1 3.11Å; T496-K522 HydrophobicContact CG2-CB 4.36Å
497L84.3Confident85Confident1 Ų128.5 Ų28.51%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-133.4157174.2-66.6164.8000110.7L489 V491 R492 K522 Q523 D553 L564L489-L497 HydrophobicContact CB-CD1 3.82Å; L489-L497 HydrophobicContact CD1-CD1 4.06Å; V491-L497 HydrophobicContact CB-CD1 4.48Å; V491-L497 HydrophobicContact CB-CG 4.3Å; V491-L497 HydrophobicContact CG1-CD1 3.9Å; V491-L497 HydrophobicContact CG1-CG 4.09Å; R492-L497 HydrophobicContact CG-CD2 4.2Å; L497-K522 WeakPolarHBondContact O-CA 3.09Å; L497-K522 PolarHBondContact O-N 3.5Å; L497-Q523 WeakPolarHBondContact CB-O 3.37Å; L497-Q523 PolarHBondContact N-O 3.19Å; L497-Q523 PolarHBondContact O-N 2.95Å; L497-D553 HydrophobicContact CD2-CB 3.96Å; L497-L564 HydrophobicContact CD1-CD1 3.73Å; L497-L564 HydrophobicContact CD1-CD2 4.47Å; L497-L564 HydrophobicContact CD2-CD1 4.11Å; L497-L564 HydrophobicContact CD2-CD2 3.88Å; L497-L564 HydrophobicContact CG-CD1 4.43Å
498N88.7Confident85Confident15 Ų1526.5 Ų26.58%0.0815%0.154CC..EExtended strand (participates in β ladder)trans-104.966.7165.2-65.4-33.1000108.9R492 V519 L520 K521 K522 D553 Q554R492-N498 PolarHBondContact NH1-ND2 2.92Å; N498-V519 HydrophobicContact CB-CG1 4.1Å; N498-V519 VanDerWaalsContact O-CG1 3.28Å; N498-V519 WeakPolarHBondContact O-CG1 3.29Å; N498-L520 CarbonylContact C-O 3.45Å; N498-L520 WeakPolarHBondContact CA-O 3.3Å; N498-K521 WeakPolarHBondContact OD1-CA 3.45Å; N498-K522 PolarHBondContact OD1-N 3.32Å; N498-D553 PolarHBondContact N-OD1 3.25Å; N498-Q554 HydrophobicContact CB-CB 3.93Å; N498-Q554 WeakPolarHBondContact CB-O 3.07Å; N498-Q554 PolarHBondContact ND2-O 2.77Å; N498-Q554 VanDerWaalsContact O-CB 3.31Å; N498-Q554 WeakPolarHBondContact O-CB 3.34Å; N498-Q554 PolarHBondContact O-N 2.8Å
499S91.9Very high85.1Confident0 Ų026.3 Ų26.30%015%0.153CC..EExtended strand (participates in β ladder)trans-86.7144.8-16158.30000114.7L520 P526 W528 W552S499-L520 PolarHBondContact N-O 3.33Å; S499-L520 PolarHBondContact O-N 3.29Å; S499-P526 VanDerWaalsContact OG-CB 3.26Å; S499-P526 WeakPolarHBondContact OG-CB 3.37Å; S499-P526 WeakPolarHBondContact OG-CG 3.34Å; S499-W528 PolarHBondContact O-NE1 2.86Å; S499-W528 VanDerWaalsContact O-NE1 3.14Å; S499-W528 WeakPolarHBondContact OG-CZ2 3.47Å; S499-W552 CarbonylContact C-O 3.57Å; S499-W552 WeakPolarHBondContact CA-O 3.39Å
500F94.6Very high85Confident0 Ų032.9 Ų32.90%018%0.184CC..EExtended strand (participates in β ladder)trans-145160.1171.666.2-93.1000110.7K502 K516 V519 W552 Q554 D561F500-K502 HydrophobicContact CD2-CG 4.24Å; F500-K502 HydrophobicContact CE2-CD 4.27Å; F500-K502 HydrophobicContact CE2-CG 3.86Å; F500-K516 HydrophobicContact CD2-CD 3.72Å; F500-K516 HydrophobicContact CD2-CG 4.05Å; F500-K516 VanDerWaalsContact CD2-NZ 3.27Å; F500-K516 VanDerWaalsContact CE1-NZ 3.31Å; F500-K516 HydrophobicContact CE2-CD 3.87Å; F500-K516 HydrophobicContact CG-CD 4.45Å; F500-V519 HydrophobicContact CB-CG2 4.05Å; F500-V519 HydrophobicContact CD1-CG1 4.39Å; F500-V519 HydrophobicContact CD1-CG2 3.86Å; F500-V519 HydrophobicContact CG-CG2 4.21Å; F500-W552 HydrophobicContact CD1-CB 4.14Å; F500-W552 HydrophobicContact CD2-CB 3.99Å; F500-W552 HydrophobicContact CD2-CG 4.4Å; F500-W552 HydrophobicContact CE1-CB 3.64Å; F500-W552 HydrophobicContact CE2-CB 3.45Å; F500-W552 VanDerWaalsContact CE2-CB 3.45Å; F500-W552 AromaticContact CE2-CD1 3.75Å; F500-W552 HydrophobicContact CE2-CD2 4.5Å; F500-W552 AromaticContact CE2-CG 3.61Å; F500-W552 HydrophobicContact CE2-CG 3.61Å; F500-W552 HydrophobicContact CG-CB 4.31Å; F500-W552 HydrophobicContact CZ-CB 3.26Å; F500-W552 HydrophobicContact CZ-CD2 4.39Å; F500-W552 AromaticContact CZ-CG 3.71Å; F500-W552 HydrophobicContact CZ-CG 3.71Å; F500-W552 PolarHBondContact N-O 3.21Å; F500-W552 PolarHBondContact O-N 3.05Å; F500-Q554 HydrophobicContact CD1-CB 4.03Å; F500-Q554 HydrophobicContact CE1-CB 3.9Å; F500-D561 HydrophobicContact CE1-CB 4.35Å; F500-D561 WeakPolarHBondContact CE1-OD2 3.41Å; F500-D561 HydrophobicContact CZ-CB 4.17Å; F500-D561 WeakPolarHBondContact CZ-OD2 3.26Å
501V95.5Very high85.3Confident0 Ų037.2 Ų37.20%020%0.203CC..EExtended strand (participates in β ladder)trans-112.8139177.7-175.60000109.4L450 V483 K516 S517 W528 F532 T550 V551L450-V501 HydrophobicContact CD1-CG2 4.29Å; V483-V501 HydrophobicContact CG1-CB 4.36Å; V483-V501 HydrophobicContact CG1-CG1 4.45Å; V483-V501 HydrophobicContact CG1-CG2 3.95Å; V483-V501 HydrophobicContact CG2-CG1 4.44Å; V501-K516 CarbonylContact O-C 3.48Å; V501-K516 WeakPolarHBondContact O-CA 3.48Å; V501-S517 PolarHBondContact N-OG 3.29Å; V501-S517 PolarHBondContact O-N 3.23Å; V501-W528 HydrophobicContact CG2-CD2 3.93Å; V501-W528 HydrophobicContact CG2-CE3 3.8Å; V501-W528 HydrophobicContact CG2-CH2 3.54Å; V501-W528 HydrophobicContact CG2-CZ2 3.68Å; V501-W528 HydrophobicContact CG2-CZ3 3.61Å; V501-F532 HydrophobicContact CG1-CE2 4.38Å; V501-T550 CarbonylContact C-O 3.58Å; V501-T550 WeakPolarHBondContact CA-O 3.48Å; V501-V551 HydrophobicContact CG2-CG1 4.43Å; V501-V551 HydrophobicContact CG2-CG2 4.17Å
502K95.5Very high85.8Confident67 Ų6741.8 Ų41.829%0.29122%0.222SC..EExtended strand (participates in β ladder)trans-108.7135.6164.6-63.2176.4-176.9121.90108.4F500 V515 K516 L549 T550F500-K502 HydrophobicContact CD2-CG 4.24Å; F500-K502 HydrophobicContact CE2-CD 4.27Å; F500-K502 HydrophobicContact CE2-CG 3.86Å; K502-V515 CarbonylContact C-O 3.54Å; K502-V515 WeakPolarHBondContact CA-O 3.24Å; K502-K516 HydrophobicContact CG-CB 4.39Å; K502-K516 HydrophobicContact CG-CD 4.42Å; K502-K516 HydrophobicContact CG-CG 4.49Å; K502-L549 WeakPolarHBondContact O-CA 3.37Å; K502-T550 PolarHBondContact N-O 2.93Å; K502-T550 PolarHBondContact O-N 2.94Å
503G93.6Very high86.5Confident1 Ų141.8 Ų41.81%0.0123%0.225CC..EExtended strand (participates in β ladder)trans-107.3139.2165.900000110.5R514 V515 E548G503-R514 WeakPolarHBondContact O-CA 3.29Å; G503-V515 PolarHBondContact N-O 2.89Å; G503-V515 WeakPolarHBondContact O-CG2 3.47Å; G503-V515 PolarHBondContact O-N 3.01Å; G503-E548 CarbonylContact C-O 3.59Å; G503-E548 WeakPolarHBondContact CA-O 3.39Å
504C93.7Very high87.8Confident15 Ų1548.7 Ų48.710%0.10124%0.244CC..EExtended strand (participates in β ladder)trans-134.5106.8174.3-172.40000109.2L513 R514 E548C504-L513 CarbonylContact C-O 3.6Å; C504-L513 WeakPolarHBondContact CA-O 3.12Å; C504-R514 HydrophobicContact CB-CG 4.34Å; C504-E548 HydrophobicContact CB-CB 4.38Å; C504-E548 PolarHBondContact N-O 3.15Å; C504-E548 PolarHBondContact O-N 2.68Å
505L92.4Very high88.8Confident0 Ų045.6 Ų45.60%023%0.229CC..EExtended strand (participates in β ladder)trans-89.2115.1170.7-178.266.1000108.4L479 L507 K512 L513 F534 V537 L542 T546 L547 W589L479-L505 HydrophobicContact CD2-CD2 4.31Å; L505-L507 HydrophobicContact CD2-CD2 4.04Å; L505-L507 HydrophobicContact CG-CD2 4.12Å; L505-K512 WeakPolarHBondContact O-CA 3.18Å; L505-L513 HydrophobicContact CB-CB 4.39Å; L505-L513 HydrophobicContact CD2-CD1 4.45Å; L505-L513 PolarHBondContact N-O 3.36Å; L505-L513 PolarHBondContact O-N 3.39Å; L505-F534 HydrophobicContact CB-CD1 3.87Å; L505-F534 HydrophobicContact CB-CE1 3.74Å; L505-F534 HydrophobicContact CB-CE2 4.41Å; L505-F534 HydrophobicContact CB-CG 4.25Å; L505-F534 HydrophobicContact CB-CZ 4.02Å; L505-F534 HydrophobicContact CD2-CB 3.89Å; L505-F534 HydrophobicContact CD2-CD1 4.18Å; L505-F534 HydrophobicContact CD2-CD2 4.25Å; L505-F534 HydrophobicContact CD2-CG 3.86Å; L505-V537 HydrophobicContact CD2-CG1 4.03Å; L505-L542 HydrophobicContact CD1-CD2 4.26Å; L505-L542 HydrophobicContact CD2-CD2 3.94Å; L505-T546 WeakPolarHBondContact CA-O 3.15Å; L505-L547 HydrophobicContact CB-CD1 4.36Å; L505-L547 HydrophobicContact CD1-CB 4.09Å; L505-W589 HydrophobicContact CD1-CH2 4.32Å
506T91.8Very high90Very high17 Ų1748.3 Ų48.310%0.10423%0.231CC..EExtended strand (participates in β ladder)trans-96.5115.8174-50.60000108.7Q511 K512 S545 T546T506-Q511 WeakPolarHBondContact CA-O 3.49Å; T506-K512 HydrophobicContact CG2-CG 4.01Å; T506-S545 VanDerWaalsContact O-CA 3.27Å; T506-S545 WeakPolarHBondContact O-CA 3.43Å; T506-S545 VanDerWaalsContact O-CB 3.3Å; T506-S545 WeakPolarHBondContact O-CB 3.4Å; T506-T546 PolarHBondContact N-O 2.88Å; T506-T546 PolarHBondContact O-N 2.88Å
507L88.8Confident90.8Very high7 Ų747 Ų474%0.03722%0.223CC..  trans-83.8164.8177.8-62.2-178.9000111.1L505 N509 Q510 Q511 L513 V537 S545L505-L507 HydrophobicContact CD2-CD2 4.04Å; L505-L507 HydrophobicContact CG-CD2 4.12Å; L507-N509 WeakPolarHBondContact CB-OD1 3.23Å; L507-N509 PolarHBondContact O-N 3.03Å; L507-Q510 PolarHBondContact O-N 2.91Å; L507-Q511 HydrophobicContact CB-CB 4.41Å; L507-Q511 HydrophobicContact CD1-CB 4.43Å; L507-Q511 PolarHBondContact N-O 2.81Å; L507-L513 HydrophobicContact CD1-CD1 4.21Å; L507-L513 HydrophobicContact CD1-CG 4.43Å; L507-V537 HydrophobicContact CD1-CG1 4.49Å; L507-V537 HydrophobicContact CD2-CG1 3.98Å; L507-S545 WeakPolarHBondContact CD2-OG 3.39Å
508P85.5Confident91.2Very high54 Ų5450.5 Ų50.535%0.35125%0.246SC..THydrogen-bonded Turntrans-62-28.3-175.8-25.637.7000114.2Q510 Q544P508-Q510 PolarHBondContact O-N 2.83Å; P508-Q544 HydrophobicContact CB-CB 4.3Å; P508-Q544 HydrophobicContact CG-CB 3.55Å
509N86.2Confident91.4Very high97 Ų9751.5 Ų51.552%0.51925%0.252SS..THydrogen-bonded Turntrans-76.416.3173.467.6-11.6000113.8L507 Q511L507-N509 WeakPolarHBondContact CB-OD1 3.23Å; L507-N509 PolarHBondContact O-N 3.03Å; N509-Q511 PolarHBondContact ND2-OE1 3.41Å; N509-Q511 VanDerWaalsContact ND2-OE1 3.09Å; N509-Q511 PolarHBondContact O-N 2.84Å; N509-Q511 VanDerWaalsContact O-N 3.08Å; N509-Q511 WeakPolarHBondContact OD1-CB 3.17Å; N509-Q511 PolarHBondContact OD1-N 2.9Å; N509-Q511 VanDerWaalsContact OD1-N 3.08Å
510Q83.8Confident91.2Very high142 Ų14253.4 Ų53.466%0.66426%0.262SS*.SBendtrans62.24.1-173.6-61.4-68.5-2600115.7L507 P508 K512L507-Q510 PolarHBondContact O-N 2.91Å; P508-Q510 PolarHBondContact O-N 2.83Å; Q510-K512 PolarHBondContact O-N 2.93Å
511Q87.7Confident90.9Very high100 Ų10060.1 Ų60.147%0.46729%0.291SS..  trans-67.9131.3176.6-170.4178.48.500110.4T506 L507 N509 L513T506-Q511 WeakPolarHBondContact CA-O 3.49Å; L507-Q511 HydrophobicContact CB-CB 4.41Å; L507-Q511 HydrophobicContact CD1-CB 4.43Å; L507-Q511 PolarHBondContact N-O 2.81Å; N509-Q511 PolarHBondContact ND2-OE1 3.41Å; N509-Q511 VanDerWaalsContact ND2-OE1 3.09Å; N509-Q511 PolarHBondContact O-N 2.84Å; N509-Q511 VanDerWaalsContact O-N 3.08Å; N509-Q511 WeakPolarHBondContact OD1-CB 3.17Å; N509-Q511 PolarHBondContact OD1-N 2.9Å; N509-Q511 VanDerWaalsContact OD1-N 3.08Å; Q511-L513 HydrophobicContact CG-CD2 4.44Å
512K90Very high90.3Very high107 Ų10768 Ų6847%0.46533%0.325SS..EExtended strand (participates in β ladder)trans-112.5102.3-176.5-69.4-174.2-179.7-176.40111.2L505 T506 Q510L505-K512 WeakPolarHBondContact O-CA 3.18Å; T506-K512 HydrophobicContact CG2-CG 4.01Å; Q510-K512 PolarHBondContact O-N 2.93Å
513L89.3Confident89.5Confident42 Ų4268.5 Ų68.522%0.2233%0.329CS..EExtended strand (participates in β ladder)trans-81120.7173.1-54.2-178.8000108.8C504 L505 L507 Q511 F534 V537C504-L513 CarbonylContact C-O 3.6Å; C504-L513 WeakPolarHBondContact CA-O 3.12Å; L505-L513 HydrophobicContact CB-CB 4.39Å; L505-L513 HydrophobicContact CD2-CD1 4.45Å; L505-L513 PolarHBondContact N-O 3.36Å; L505-L513 PolarHBondContact O-N 3.39Å; L507-L513 HydrophobicContact CD1-CD1 4.21Å; L507-L513 HydrophobicContact CD1-CG 4.43Å; Q511-L513 HydrophobicContact CG-CD2 4.44Å; L513-F534 HydrophobicContact CB-CD1 3.69Å; L513-F534 HydrophobicContact CB-CE1 4.09Å; L513-F534 HydrophobicContact CD1-CB 4.29Å; L513-F534 HydrophobicContact CD1-CD1 4.26Å; L513-V537 HydrophobicContact CD1-CG1 4.04Å
514R93.1Very high88.6Confident189 Ų18970.4 Ų70.471%0.71335%0.345SS*.EExtended strand (participates in β ladder)trans-119.2136.1-172.2-68.4178.8178171.80.8112.2G503 C504G503-R514 WeakPolarHBondContact O-CA 3.29Å; C504-R514 HydrophobicContact CB-CG 4.34Å
515V92.9Very high88.1Confident36 Ų3673.6 Ų73.622%0.21837%0.366CS..EExtended strand (participates in β ladder)trans-135.9153.7-178.8-68.70000109.7K502 G503 F532 F534K502-V515 CarbonylContact C-O 3.54Å; K502-V515 WeakPolarHBondContact CA-O 3.24Å; G503-V515 PolarHBondContact N-O 2.89Å; G503-V515 WeakPolarHBondContact O-CG2 3.47Å; G503-V515 PolarHBondContact O-N 3.01Å; V515-F532 HydrophobicContact CB-CB 4.25Å; V515-F532 HydrophobicContact CB-CD1 3.66Å; V515-F532 HydrophobicContact CB-CD2 4.31Å; V515-F532 HydrophobicContact CB-CE1 4Å; V515-F532 HydrophobicContact CB-CG 3.83Å; V515-F532 HydrophobicContact CB-CZ 4.49Å; V515-F532 HydrophobicContact CG1-CB 4.41Å; V515-F532 HydrophobicContact CG1-CD1 4.47Å; V515-F532 HydrophobicContact CG2-CB 3.81Å; V515-F532 HydrophobicContact CG2-CD1 3.72Å; V515-F532 HydrophobicContact CG2-CD2 3.43Å; V515-F532 VanDerWaalsContact CG2-CD2 3.43Å; V515-F532 HydrophobicContact CG2-CE1 4.07Å; V515-F532 HydrophobicContact CG2-CE2 3.83Å; V515-F532 HydrophobicContact CG2-CG 3.38Å; V515-F532 HydrophobicContact CG2-CZ 4.14Å; V515-F534 HydrophobicContact CG1-CD1 4.49Å; V515-F534 HydrophobicContact CG1-CE1 3.95Å; V515-F534 HydrophobicContact CG1-CZ 4.35Å; V515-F534 HydrophobicContact CG2-CE1 3.85Å; V515-F534 HydrophobicContact CG2-CE2 4.49Å; V515-F534 HydrophobicContact CG2-CZ 3.55Å
516K94.1Very high87.9Confident92 Ų9273.6 Ų73.640%0.437%0.366SS..EExtended strand (participates in β ladder)trans-145.8135.5179.6167.6166.6169.3157.90110.9F500 V501 K502 F532F500-K516 HydrophobicContact CD2-CD 3.72Å; F500-K516 HydrophobicContact CD2-CG 4.05Å; F500-K516 VanDerWaalsContact CD2-NZ 3.27Å; F500-K516 VanDerWaalsContact CE1-NZ 3.31Å; F500-K516 HydrophobicContact CE2-CD 3.87Å; F500-K516 HydrophobicContact CG-CD 4.45Å; V501-K516 CarbonylContact O-C 3.48Å; V501-K516 WeakPolarHBondContact O-CA 3.48Å; K502-K516 HydrophobicContact CG-CB 4.39Å; K502-K516 HydrophobicContact CG-CD 4.42Å; K502-K516 HydrophobicContact CG-CG 4.49Å; K516-F532 VanDerWaalsContact C-CE1 3.47Å
517S93.4Very high87.8Confident4 Ų478.6 Ų78.63%0.02839%0.389CS..  trans-79.5161.3176.173.70000112.6V501 W528V501-S517 PolarHBondContact N-OG 3.29Å; V501-S517 PolarHBondContact O-N 3.23Å; S517-W528 VanDerWaalsContact OG-CD1 3.31Å
518P92.8Very high87.9Confident75 Ų7579.2 Ų79.249%0.48739%0.39SS..  trans-55.7150.3167.4-2535000112.2L520 W528P518-L520 PolarHBondContact O-N 3.22Å; P518-W528 PolarHBondContact O-NE1 3.25Å
519V92.7Very high88.2Confident36 Ų3683.4 Ų83.422%0.21840%0.403CS..  trans-83.5115.1176.5-172.10000109.9N498 F500 K521 Q554N498-V519 HydrophobicContact CB-CG1 4.1Å; N498-V519 VanDerWaalsContact O-CG1 3.28Å; N498-V519 WeakPolarHBondContact O-CG1 3.29Å; F500-V519 HydrophobicContact CB-CG2 4.05Å; F500-V519 HydrophobicContact CD1-CG1 4.39Å; F500-V519 HydrophobicContact CD1-CG2 3.86Å; F500-V519 HydrophobicContact CG-CG2 4.21Å; V519-K521 HydrophobicContact CG1-CG 4.37Å; V519-Q554 HydrophobicContact CG1-CB 3.82Å
520L88.2Confident88.5Confident40 Ų4081.6 Ų81.621%0.20939%0.391CS..EExtended strand (participates in β ladder)trans-85121.4171.5-62.6179.5000108.8N498 S499 P518 P526 Q527 W528N498-L520 CarbonylContact C-O 3.45Å; N498-L520 WeakPolarHBondContact CA-O 3.3Å; S499-L520 PolarHBondContact N-O 3.33Å; S499-L520 PolarHBondContact O-N 3.29Å; P518-L520 PolarHBondContact O-N 3.22Å; L520-P526 HydrophobicContact CD1-CB 3.85Å; L520-Q527 WeakPolarHBondContact CD1-O 3.37Å; L520-W528 HydrophobicContact CD1-CB 4.42Å; L520-W528 VanDerWaalsContact CD1-CD1 3.48Å; L520-W528 HydrophobicContact CD1-CD2 4.19Å; L520-W528 HydrophobicContact CD1-CG 3.81Å; L520-W528 HydrophobicContact CG-CG 4.4Å
521K88.1Confident89Confident141 Ų14178.4 Ų78.461%0.61339%0.385SS*.EExtended strand (participates in β ladder)trans-99139.2-172.3-65.8176.3-176.4171.20111.1N498 V519N498-K521 WeakPolarHBondContact OD1-CA 3.45Å; V519-K521 HydrophobicContact CG1-CG 4.37Å
522K82.9Confident89.3Confident165 Ų16573.9 Ų73.972%0.71736%0.363SS*.EExtended strand (participates in β ladder)trans5644.2176.9-55.5-177.6178.7-177.50114.9T496 L497 N498T496-K522 HydrophobicContact CG2-CB 4.36Å; L497-K522 WeakPolarHBondContact O-CA 3.09Å; L497-K522 PolarHBondContact O-N 3.5Å; N498-K522 PolarHBondContact OD1-N 3.32Å
523Q79.2Confident89.4Confident78 Ų7871.9 Ų71.936%0.36436%0.36SS..EExtended strand (participates in β ladder)trans-120143.5176.6-69.3-174.8-18.800111.8L497L497-Q523 WeakPolarHBondContact CB-O 3.37Å; L497-Q523 PolarHBondContact N-O 3.19Å; L497-Q523 PolarHBondContact O-N 2.95Å
524A73.5Confident89.5Confident41 Ų4170.1 Ų70.134%0.33935%0.351SS..SBendtrans-87.4-45.3173.200000111.9V491 G495 P526V491-A524 HydrophobicContact CG1-CB 4.06Å; G495-A524 WeakPolarHBondContact O-CB 3.32Å; A524-P526 VanDerWaalsContact O-CD 3.23Å; A524-P526 WeakPolarHBondContact O-CD 3.44Å
525C83.3Confident89.1Confident83 Ų8365.8 Ų65.856%0.56134%0.342SS*.SBendtrans-113.781.5178.9-610000109.4A486A486-C525 WeakPolarHBondContact O-CA 3.31Å
526P87.9Confident88.6Confident0 Ų066.1 Ų66.10%035%0.353CS..  trans-66.1137.7-175.327.3-36.6000112.6G485 A486 L489 S499 L520 A524 W528G485-P526 CarbonylContact C-O 3.57Å; G485-P526 WeakPolarHBondContact CA-O 3.45Å; A486-P526 HydrophobicContact CB-CG 4.23Å; A486-P526 PolarHBondContact N-O 2.76Å; A486-P526 WeakPolarHBondContact O-CD 3.22Å; L489-P526 HydrophobicContact CD1-CG 3.71Å; S499-P526 VanDerWaalsContact OG-CB 3.26Å; S499-P526 WeakPolarHBondContact OG-CB 3.37Å; S499-P526 WeakPolarHBondContact OG-CG 3.34Å; L520-P526 HydrophobicContact CD1-CB 3.85Å; A524-P526 VanDerWaalsContact O-CD 3.23Å; A524-P526 WeakPolarHBondContact O-CD 3.44Å; P526-W528 HydrophobicContact CB-CD2 4.28Å; P526-W528 HydrophobicContact CB-CE3 4.33Å; P526-W528 HydrophobicContact CB-CH2 3.73Å; P526-W528 HydrophobicContact CB-CZ2 3.64Å; P526-W528 HydrophobicContact CB-CZ3 4.07Å; P526-W528 HydrophobicContact CG-CE3 4.46Å; P526-W528 HydrophobicContact CG-CH2 3.26Å; P526-W528 HydrophobicContact CG-CZ2 3.63Å; P526-W528 HydrophobicContact CG-CZ3 3.73Å
527Q89.6Confident88Confident122 Ų12261.8 Ų61.857%0.5733%0.333SS*.  trans-119.293.2171.5-66.4-169.83.700109.9L484 L520L484-Q527 CarbonylContact O-C 3.5Å; L484-Q527 WeakPolarHBondContact O-CA 3.49Å; L520-Q527 WeakPolarHBondContact CD1-O 3.37Å
528W91.8Very high87.6Confident20 Ų2061.9 Ų61.98%0.07633%0.334CS..  trans-74.3-35.4-179.2-63.1-82.4000113.1L450 V483 L484 A486 S499 V501 S517 P518 L520 P526 H530 V551L450-W528 HydrophobicContact CD1-CZ3 3.9Å; V483-W528 HydrophobicContact CG1-CD2 4.47Å; V483-W528 HydrophobicContact CG1-CE3 3.81Å; V483-W528 HydrophobicContact CG1-CZ3 4.42Å; L484-W528 PolarHBondContact O-N 2.99Å; L484-W528 VanDerWaalsContact O-N 3.12Å; A486-W528 HydrophobicContact CB-CH2 4.09Å; A486-W528 HydrophobicContact CB-CZ3 3.79Å; S499-W528 PolarHBondContact O-NE1 2.86Å; S499-W528 VanDerWaalsContact O-NE1 3.14Å; S499-W528 WeakPolarHBondContact OG-CZ2 3.47Å; V501-W528 HydrophobicContact CG2-CD2 3.93Å; V501-W528 HydrophobicContact CG2-CE3 3.8Å; V501-W528 HydrophobicContact CG2-CH2 3.54Å; V501-W528 HydrophobicContact CG2-CZ2 3.68Å; V501-W528 HydrophobicContact CG2-CZ3 3.61Å; S517-W528 VanDerWaalsContact OG-CD1 3.31Å; P518-W528 PolarHBondContact O-NE1 3.25Å; L520-W528 HydrophobicContact CD1-CB 4.42Å; L520-W528 VanDerWaalsContact CD1-CD1 3.48Å; L520-W528 HydrophobicContact CD1-CD2 4.19Å; L520-W528 HydrophobicContact CD1-CG 3.81Å; L520-W528 HydrophobicContact CG-CG 4.4Å; P526-W528 HydrophobicContact CB-CD2 4.28Å; P526-W528 HydrophobicContact CB-CE3 4.33Å; P526-W528 HydrophobicContact CB-CH2 3.73Å; P526-W528 HydrophobicContact CB-CZ2 3.64Å; P526-W528 HydrophobicContact CB-CZ3 4.07Å; P526-W528 HydrophobicContact CG-CE3 4.46Å; P526-W528 HydrophobicContact CG-CH2 3.26Å; P526-W528 HydrophobicContact CG-CZ2 3.63Å; P526-W528 HydrophobicContact CG-CZ3 3.73Å; W528-H530 HydrophobicContact CB-CB 3.97Å; W528-H530 PolarHBondContact O-N 3.08Å; W528-V551 HydrophobicContact CH2-CG1 3.81Å; W528-V551 HydrophobicContact CZ2-CG1 4.31Å
529K91.5Very high87.1Confident142 Ų14259.5 Ų59.562%0.61732%0.319SS*.  trans43.339.1-173.4-59.9178.5-176.6172.10112.4V483 L484V483-K529 CarbonylContact O-C 3.42Å; V483-K529 VanDerWaalsContact O-CA 3.27Å; V483-K529 WeakPolarHBondContact O-CA 3.43Å; V483-K529 PolarHBondContact O-N 2.82Å; L484-K529 PolarHBondContact O-N 2.7Å; L484-K529 VanDerWaalsContact O-N 3.1Å
530H92.4Very high86.6Confident59 Ų5961.3 Ų61.327%0.27333%0.334SS..EExtended strand (participates in β ladder)trans-113.1131.5-163.5-178.675.3000111.7V483 W528 F532V483-H530 PolarHBondContact N-O 3.31Å; V483-H530 PolarHBondContact O-N 2.93Å; W528-H530 HydrophobicContact CB-CB 3.97Å; W528-H530 PolarHBondContact O-N 3.08Å; H530-F532 AromaticContact CD2-CD1 3.7Å; H530-F532 AromaticContact CD2-CE1 3.34Å; H530-F532 WeakPolarHBondContact CD2-CE1 3.34Å; H530-F532 AromaticContact NE2-CD1 3.86Å; H530-F532 AromaticContact NE2-CE1 3.62Å
531S93.9Very high86.6Confident74 Ų7462.3 Ų62.352%0.51734%0.337SS..EExtended strand (participates in β ladder)trans-91126.5-175.7-550000112.2L481L481-S531 CarbonylContact O-C 3.56Å; L481-S531 WeakPolarHBondContact O-CA 3.38Å
532F94.2Very high86.5Confident5 Ų555.6 Ų55.62%0.02231%0.308CS..EExtended strand (participates in β ladder)trans-100.9140.2162.5-61.2-30.2000109.5L481 V483 V501 V515 K516 H530 F534L481-F532 HydrophobicContact CB-CB 4.43Å; L481-F532 HydrophobicContact CD2-CD2 4.17Å; L481-F532 PolarHBondContact N-O 2.85Å; L481-F532 PolarHBondContact O-N 3.06Å; V483-F532 HydrophobicContact CG2-CD2 3.97Å; V483-F532 HydrophobicContact CG2-CE2 3.66Å; V483-F532 HydrophobicContact CG2-CZ 4.35Å; V501-F532 HydrophobicContact CG1-CE2 4.38Å; V515-F532 HydrophobicContact CB-CB 4.25Å; V515-F532 HydrophobicContact CB-CD1 3.66Å; V515-F532 HydrophobicContact CB-CD2 4.31Å; V515-F532 HydrophobicContact CB-CE1 4Å; V515-F532 HydrophobicContact CB-CG 3.83Å; V515-F532 HydrophobicContact CB-CZ 4.49Å; V515-F532 HydrophobicContact CG1-CB 4.41Å; V515-F532 HydrophobicContact CG1-CD1 4.47Å; V515-F532 HydrophobicContact CG2-CB 3.81Å; V515-F532 HydrophobicContact CG2-CD1 3.72Å; V515-F532 HydrophobicContact CG2-CD2 3.43Å; V515-F532 VanDerWaalsContact CG2-CD2 3.43Å; V515-F532 HydrophobicContact CG2-CE1 4.07Å; V515-F532 HydrophobicContact CG2-CE2 3.83Å; V515-F532 HydrophobicContact CG2-CG 3.38Å; V515-F532 HydrophobicContact CG2-CZ 4.14Å; K516-F532 VanDerWaalsContact C-CE1 3.47Å; H530-F532 AromaticContact CD2-CD1 3.7Å; H530-F532 AromaticContact CD2-CE1 3.34Å; H530-F532 WeakPolarHBondContact CD2-CE1 3.34Å; H530-F532 AromaticContact NE2-CD1 3.86Å; H530-F532 AromaticContact NE2-CE1 3.62Å; F532-F534 HydrophobicContact CB-CE2 4.45Å
533V92.5Very high86.7Confident66 Ų6654.4 Ų54.440%0.430%0.299SS..EExtended strand (participates in β ladder)trans-130.5123.4176.5-174.70000108.4Q478 L479 N535Q478-V533 HydrophobicContact CB-CG1 4.37Å; L479-V533 WeakPolarHBondContact O-CA 3.23Å; V533-N535 WeakPolarHBondContact CG1-OD1 3.45Å
534F90.7Very high87Confident4 Ų457.5 Ų57.52%0.01831%0.314CS..EExtended strand (participates in β ladder)trans-104.7108.5171.9-55-82.4000108.3Q478 L479 L505 L513 V515 F532 V537 L547Q478-F534 CarbonylContact C-O 3.52Å; Q478-F534 WeakPolarHBondContact CA-O 3.22Å; L479-F534 HydrophobicContact CB-CB 4.28Å; L479-F534 HydrophobicContact CB-CD2 4.28Å; L479-F534 HydrophobicContact CD2-CD2 4.02Å; L479-F534 HydrophobicContact CG-CD2 4.27Å; L479-F534 PolarHBondContact N-O 3.43Å; L479-F534 PolarHBondContact O-N 2.88Å; L505-F534 HydrophobicContact CB-CD1 3.87Å; L505-F534 HydrophobicContact CB-CE1 3.74Å; L505-F534 HydrophobicContact CB-CE2 4.41Å; L505-F534 HydrophobicContact CB-CG 4.25Å; L505-F534 HydrophobicContact CB-CZ 4.02Å; L505-F534 HydrophobicContact CD2-CB 3.89Å; L505-F534 HydrophobicContact CD2-CD1 4.18Å; L505-F534 HydrophobicContact CD2-CD2 4.25Å; L505-F534 HydrophobicContact CD2-CG 3.86Å; L513-F534 HydrophobicContact CB-CD1 3.69Å; L513-F534 HydrophobicContact CB-CE1 4.09Å; L513-F534 HydrophobicContact CD1-CB 4.29Å; L513-F534 HydrophobicContact CD1-CD1 4.26Å; V515-F534 HydrophobicContact CG1-CD1 4.49Å; V515-F534 HydrophobicContact CG1-CE1 3.95Å; V515-F534 HydrophobicContact CG1-CZ 4.35Å; V515-F534 HydrophobicContact CG2-CE1 3.85Å; V515-F534 HydrophobicContact CG2-CE2 4.49Å; V515-F534 HydrophobicContact CG2-CZ 3.55Å; F532-F534 HydrophobicContact CB-CE2 4.45Å; F534-V537 WeakPolarHBondContact O-CG2 3.31Å; F534-L547 HydrophobicContact CE2-CD1 3.95Å; F534-L547 HydrophobicContact CZ-CD1 3.96Å
535N85.9Confident87.8Confident99 Ų9955.5 Ų55.553%0.52930%0.297SS..EExtended strand (participates in β ladder)trans-88.1154.7-179.7-68.4-31.7000111.5Q478 V533Q478-N535 WeakPolarHBondContact CG-OD1 3.45Å; Q478-N535 PolarHBondContact NE2-OD1 3Å; V533-N535 WeakPolarHBondContact CG1-OD1 3.45Å
536G81.1Confident88.1Confident43 Ų4353.5 Ų53.544%0.44328%0.283SS..EExtended strand (participates in β ladder)trans73.532.7171.300000113.5G477G477-G536 PolarHBondContact O-N 3.44Å
537V83.3Confident88.4Confident0 Ų053.6 Ų53.60%028%0.283CS..EExtended strand (participates in β ladder)trans-113.6119.9-177.8-66.80000110.3G477 L479 L505 L507 L513 F534 L542G477-V537 CarbonylContact C-O 3.59Å; G477-V537 VanDerWaalsContact CA-O 3.29Å; G477-V537 WeakPolarHBondContact CA-O 3.5Å; G477-V537 PolarHBondContact N-O 3.01Å; G477-V537 PolarHBondContact O-N 2.91Å; G477-V537 VanDerWaalsContact O-N 3.15Å; L479-V537 HydrophobicContact CB-CG2 4.17Å; L505-V537 HydrophobicContact CD2-CG1 4.03Å; L507-V537 HydrophobicContact CD1-CG1 4.49Å; L507-V537 HydrophobicContact CD2-CG1 3.98Å; L513-V537 HydrophobicContact CD1-CG1 4.04Å; F534-V537 WeakPolarHBondContact O-CG2 3.31Å; V537-L542 HydrophobicContact CB-CD1 4.41Å; V537-L542 HydrophobicContact CB-CD2 4.16Å; V537-L542 HydrophobicContact CB-CG 4.16Å; V537-L542 HydrophobicContact CG2-CD1 3.99Å; V537-L542 HydrophobicContact CG2-CD2 4.19Å; V537-L542 HydrophobicContact CG2-CG 4.24Å
538S83.3Confident88.6Confident7 Ų749.9 Ų49.95%0.04927%0.266CS..EExtended strand (participates in β ladder)trans-79.3155.1177.481.30000111.4S540 Q541 L542S538-S540 PolarHBondContact O-N 3.47Å; S538-S540 PolarHBondContact OG-OG 2.86Å; S538-Q541 PolarHBondContact O-N 3.45Å; S538-Q541 WeakPolarHBondContact OG-CB 3.48Å; S538-Q541 VanDerWaalsContact OG-CG 3.31Å; S538-Q541 WeakPolarHBondContact OG-CG 3.2Å; S538-Q541 PolarHBondContact OG-N 3.38Å; S538-Q541 PolarHBondContact OG-OE1 2.79Å; S538-L542 WeakPolarHBondContact O-CG 3.38Å; S538-L542 PolarHBondContact O-N 3.44Å
539S83.1Confident88.7Confident24 Ų2449 Ų4917%0.16826%0.262CS..Hα-helixtrans-59.7-33.5174.3-178.80000112.5R543S539-R543 PolarHBondContact O-N 3.45Å; S539-R543 PolarHBondContact OG-NH2 3.27Å
540S83.1Confident88.8Confident75 Ų7542.6 Ų42.652%0.52424%0.235SC..Hα-helixtrans-68.6-42.3175.5520000112.4S538 R543S538-S540 PolarHBondContact O-N 3.47Å; S538-S540 PolarHBondContact OG-OG 2.86Å; S540-R543 PolarHBondContact O-N 3.03Å
541Q86.4Confident88.9Confident60 Ų6039.8 Ų39.828%0.2822%0.222SC..Hα-helixtrans-61.9-45.9173.6-73.7168.3-2600111.3S538 R543 Q544 S545S538-Q541 PolarHBondContact O-N 3.45Å; S538-Q541 WeakPolarHBondContact OG-CB 3.48Å; S538-Q541 VanDerWaalsContact OG-CG 3.31Å; S538-Q541 WeakPolarHBondContact OG-CG 3.2Å; S538-Q541 PolarHBondContact OG-N 3.38Å; S538-Q541 PolarHBondContact OG-OE1 2.79Å; Q541-R543 VanDerWaalsContact C-N 3.31Å; Q541-R543 PolarHBondContact O-N 3.16Å; Q541-Q544 CarbonylContact O-C 3.54Å; Q541-Q544 PolarHBondContact O-N 3.14Å; Q541-S545 VanDerWaalsContact C-OG 3.31Å; Q541-S545 PolarHBondContact O-N 2.72Å; Q541-S545 PolarHBondContact O-OG 2.88Å
542L87.2Confident88.9Confident0 Ų038.9 Ų38.90%021%0.208CC..Hα-helixtrans-62.6-33.3-177.9-72.9174.9000113.6L456 L479 L505 V537 S538 Q544 S545 W589 L593L456-L542 HydrophobicContact CD1-CD1 3.49Å; L456-L542 VanDerWaalsContact CD1-CD1 3.49Å; L456-L542 HydrophobicContact CD2-CD1 4.09Å; L456-L542 HydrophobicContact CG-CD1 4.37Å; L479-L542 HydrophobicContact CB-CD1 4.46Å; L479-L542 HydrophobicContact CD2-CD2 4.13Å; L505-L542 HydrophobicContact CD1-CD2 4.26Å; L505-L542 HydrophobicContact CD2-CD2 3.94Å; V537-L542 HydrophobicContact CB-CD1 4.41Å; V537-L542 HydrophobicContact CB-CD2 4.16Å; V537-L542 HydrophobicContact CB-CG 4.16Å; V537-L542 HydrophobicContact CG2-CD1 3.99Å; V537-L542 HydrophobicContact CG2-CD2 4.19Å; V537-L542 HydrophobicContact CG2-CG 4.24Å; S538-L542 WeakPolarHBondContact O-CG 3.38Å; S538-L542 PolarHBondContact O-N 3.44Å; L542-Q544 PolarHBondContact O-N 3.09Å; L542-S545 PolarHBondContact O-N 3.26Å; L542-W589 HydrophobicContact CD2-CH2 4.48Å; L542-W589 HydrophobicContact CD2-CZ2 4.32Å; L542-W589 PolarHBondContact O-NE1 3.32Å; L542-L593 HydrophobicContact CB-CD1 4.36Å; L542-L593 HydrophobicContact CB-CD2 3.75Å; L542-L593 HydrophobicContact CD1-CD2 4.05Å
543R86.2Confident88.7Confident140 Ų14039 Ų3953%0.52821%0.208SC..Hα-helixtrans-61.6-25.3173-82.9-172.7-100.8-108.42.5113.8S539 S540 Q541 S571 L593S539-R543 PolarHBondContact O-N 3.45Å; S539-R543 PolarHBondContact OG-NH2 3.27Å; S540-R543 PolarHBondContact O-N 3.03Å; Q541-R543 VanDerWaalsContact C-N 3.31Å; Q541-R543 PolarHBondContact O-N 3.16Å; R543-S571 WeakPolarHBondContact O-CB 3.32Å; R543-L593 HydrophobicContact CG-CD1 3.98Å
544Q86.6Confident88.6Confident143 Ų14338.8 Ų38.867%0.66820%0.203SC*.Hα-helixtrans-106.6-2.6177.7-67.7178.92.200113.1P508 Q541 L542P508-Q544 HydrophobicContact CB-CB 4.3Å; P508-Q544 HydrophobicContact CG-CB 3.55Å; Q541-Q544 CarbonylContact O-C 3.54Å; Q541-Q544 PolarHBondContact O-N 3.14Å; L542-Q544 PolarHBondContact O-N 3.09Å
545S89.2Confident88.2Confident0 Ų039.8 Ų39.80%021%0.212CC..  trans-84.2162.5-178-610000112.6T506 L507 Q541 L542T506-S545 VanDerWaalsContact O-CA 3.27Å; T506-S545 WeakPolarHBondContact O-CA 3.43Å; T506-S545 VanDerWaalsContact O-CB 3.3Å; T506-S545 WeakPolarHBondContact O-CB 3.4Å; L507-S545 WeakPolarHBondContact CD2-OG 3.39Å; Q541-S545 VanDerWaalsContact C-OG 3.31Å; Q541-S545 PolarHBondContact O-N 2.72Å; Q541-S545 PolarHBondContact O-OG 2.88Å; L542-S545 PolarHBondContact O-N 3.26Å
546T91.2Very high87.5Confident41 Ų4139.9 Ų39.925%0.25221%0.212SC..EExtended strand (participates in β ladder)trans-125.9128.7169.756.50000110.7L505 T506 L569L505-T546 WeakPolarHBondContact CA-O 3.15Å; T506-T546 PolarHBondContact N-O 2.88Å; T506-T546 PolarHBondContact O-N 2.88Å; T546-L569 CarbonylContact C-O 3.5Å; T546-L569 WeakPolarHBondContact CA-O 3.28Å
547L92.9Very high86.5Confident2 Ų246.1 Ų46.11%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-101.7113.3174.1173.763.7000109L481 L505 F534 L549 R568 L569 W589L481-L547 HydrophobicContact CD2-CD2 4.15Å; L505-L547 HydrophobicContact CB-CD1 4.36Å; L505-L547 HydrophobicContact CD1-CB 4.09Å; F534-L547 HydrophobicContact CE2-CD1 3.95Å; F534-L547 HydrophobicContact CZ-CD1 3.96Å; L547-L549 HydrophobicContact CD1-CD2 4.11Å; L547-L549 HydrophobicContact CG-CD2 4.29Å; L547-L549 HydrophobicContact CG-CG 4.35Å; L547-R568 WeakPolarHBondContact O-CA 3.39Å; L547-L569 HydrophobicContact CB-CB 4.3Å; L547-L569 HydrophobicContact CD2-CD1 4.26Å; L547-L569 PolarHBondContact N-O 2.88Å; L547-L569 PolarHBondContact O-N 3.17Å; L547-W589 HydrophobicContact CB-CH2 3.94Å; L547-W589 HydrophobicContact CB-CZ3 3.96Å; L547-W589 HydrophobicContact CD2-CH2 4.29Å; L547-W589 HydrophobicContact CD2-CZ3 3.76Å
548E93.5Very high85.2Confident43 Ų4350.5 Ų50.520%0.20127%0.272CS..EExtended strand (participates in β ladder)trans-100.9128.1175.8-173.4-171.5115.900109.5G503 C504 T550 E566 R568G503-E548 CarbonylContact C-O 3.59Å; G503-E548 WeakPolarHBondContact CA-O 3.39Å; C504-E548 HydrophobicContact CB-CB 4.38Å; C504-E548 PolarHBondContact N-O 3.15Å; C504-E548 PolarHBondContact O-N 2.68Å; E548-T550 HydrophobicContact CG-CG2 4.32Å; E548-E566 HydrophobicContact CG-CG 4.19Å; E548-R568 VanDerWaalsContact CD-NH2 3.31Å; E548-R568 HydrophobicContact CG-CG 4.32Å; E548-R568 IonicContact OE2-CZ 3.56Å; E548-R568 IonicContact OE2-NH1 2.65Å; E548-R568 PolarHBondContact OE2-NH1 2.96Å; E548-R568 IonicContact OE2-NH2 2.66Å; E548-R568 PolarHBondContact OE2-NH2 3.34Å
549L94.8Very high84.4Confident1 Ų156.8 Ų56.81%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-119116.5176.7-61.2178.8000108.8L450 V452 L481 K502 L547 E566 A567 L604L450-L549 HydrophobicContact CD2-CB 4.04Å; L450-L549 HydrophobicContact CD2-CD1 4.06Å; V452-L549 HydrophobicContact CG1-CD1 4.06Å; L481-L549 HydrophobicContact CD2-CD1 3.96Å; L481-L549 HydrophobicContact CD2-CD2 3.66Å; L481-L549 HydrophobicContact CD2-CG 4.44Å; K502-L549 WeakPolarHBondContact O-CA 3.37Å; L547-L549 HydrophobicContact CD1-CD2 4.11Å; L547-L549 HydrophobicContact CG-CD2 4.29Å; L547-L549 HydrophobicContact CG-CG 4.35Å; L549-E566 WeakPolarHBondContact O-CA 3.19Å; L549-A567 PolarHBondContact N-O 3.2Å; L549-A567 PolarHBondContact O-N 2.93Å; L549-L604 HydrophobicContact CD1-CD1 3.6Å
550T94.3Very high84.1Confident8 Ų863 Ų635%0.04933%0.334CS..EExtended strand (participates in β ladder)trans-117129.4179.646.50000110.5V501 K502 E548 W552 L563 E566V501-T550 CarbonylContact C-O 3.58Å; V501-T550 WeakPolarHBondContact CA-O 3.48Å; K502-T550 PolarHBondContact N-O 2.93Å; K502-T550 PolarHBondContact O-N 2.94Å; E548-T550 HydrophobicContact CG-CG2 4.32Å; T550-W552 VanDerWaalsContact O-CD1 3.28Å; T550-W552 PolarHBondContact OG1-NE1 2.84Å; T550-L563 HydrophobicContact CG2-CD1 3.89Å; T550-E566 HydrophobicContact CG2-CB 3.97Å; T550-E566 HydrophobicContact CG2-CG 3.64Å
551V94.1Very high84.2Confident0 Ų062 Ų620%032%0.322CS..EExtended strand (participates in β ladder)trans-97130.3175.8-169.70000108.5L450 L489 V501 W528 L564 G565 L606L450-V551 HydrophobicContact CD1-CG2 4.06Å; L450-V551 HydrophobicContact CD2-CG2 4.23Å; L489-V551 HydrophobicContact CD1-CG1 4.1Å; L489-V551 HydrophobicContact CD2-CG1 4.19Å; V501-V551 HydrophobicContact CG2-CG1 4.43Å; V501-V551 HydrophobicContact CG2-CG2 4.17Å; W528-V551 HydrophobicContact CH2-CG1 3.81Å; W528-V551 HydrophobicContact CZ2-CG1 4.31Å; V551-L564 HydrophobicContact CB-CB 4.43Å; V551-L564 HydrophobicContact CG1-CB 4.42Å; V551-L564 HydrophobicContact CG1-CD1 4.1Å; V551-L564 WeakPolarHBondContact O-CB 3.46Å; V551-L564 PolarHBondContact O-N 3.36Å; V551-G565 PolarHBondContact N-O 2.92Å; V551-G565 PolarHBondContact O-N 2.84Å; V551-L606 HydrophobicContact CB-CD1 4.35Å; V551-L606 HydrophobicContact CG2-CD1 3.73Å; V551-L606 HydrophobicContact CG2-CD2 3.88Å; V551-L606 HydrophobicContact CG2-CG 4.49Å
552W93.5Very high84.3Confident56 Ų5662.6 Ų62.621%0.21232%0.322CS..EExtended strand (participates in β ladder)trans-128.5150.6-173.5-64.777.7000111.2S499 F500 T550 D561 R562 L563S499-W552 CarbonylContact C-O 3.57Å; S499-W552 WeakPolarHBondContact CA-O 3.39Å; F500-W552 HydrophobicContact CD1-CB 4.14Å; F500-W552 HydrophobicContact CD2-CB 3.99Å; F500-W552 HydrophobicContact CD2-CG 4.4Å; F500-W552 HydrophobicContact CE1-CB 3.64Å; F500-W552 HydrophobicContact CE2-CB 3.45Å; F500-W552 VanDerWaalsContact CE2-CB 3.45Å; F500-W552 AromaticContact CE2-CD1 3.75Å; F500-W552 HydrophobicContact CE2-CD2 4.5Å; F500-W552 AromaticContact CE2-CG 3.61Å; F500-W552 HydrophobicContact CE2-CG 3.61Å; F500-W552 HydrophobicContact CG-CB 4.31Å; F500-W552 HydrophobicContact CZ-CB 3.26Å; F500-W552 HydrophobicContact CZ-CD2 4.39Å; F500-W552 AromaticContact CZ-CG 3.71Å; F500-W552 HydrophobicContact CZ-CG 3.71Å; F500-W552 PolarHBondContact N-O 3.21Å; F500-W552 PolarHBondContact O-N 3.05Å; T550-W552 VanDerWaalsContact O-CD1 3.28Å; T550-W552 PolarHBondContact OG1-NE1 2.84Å; W552-D561 HydrophobicContact CE3-CB 3.86Å; W552-D561 HydrophobicContact CZ3-CB 4.49Å; W552-D561 WeakPolarHBondContact CZ3-O 3.09Å; W552-R562 CarbonylContact C-O 3.58Å; W552-R562 VanDerWaalsContact CA-O 3.28Å; W552-R562 WeakPolarHBondContact CA-O 3.49Å; W552-L563 HydrophobicContact CD2-CD1 4.15Å; W552-L563 HydrophobicContact CE3-CB 4.26Å; W552-L563 HydrophobicContact CH2-CB 4.25Å; W552-L563 HydrophobicContact CH2-CD1 4.45Å; W552-L563 HydrophobicContact CZ2-CD1 3.89Å; W552-L563 HydrophobicContact CZ3-CB 4.13Å
553D90.9Very high84.4Confident7 Ų766.2 Ų66.24%0.03734%0.341CS..EExtended strand (participates in β ladder)trans-103.8114.4169.4177.743.1000110.1R492 L497 N498 A555 D561 R562 L564R492-D553 VanDerWaalsContact CZ-CG 3.46Å; R492-D553 IonicContact CZ-OD1 3.84Å; R492-D553 IonicContact CZ-OD2 2.67Å; R492-D553 IonicContact NE-OD1 2.72Å; R492-D553 PolarHBondContact NE-OD1 3.07Å; R492-D553 IonicContact NE-OD2 2.61Å; R492-D553 PolarHBondContact NE-OD2 2.81Å; R492-D553 IonicContact NH1-OD1 2.68Å; R492-D553 IonicContact NH2-OD1 3.43Å; R492-D553 PolarHBondContact NH2-OD1 3.31Å; R492-D553 IonicContact NH2-OD2 3.55Å; R492-D553 PolarHBondContact NH2-OD2 3.27Å; L497-D553 HydrophobicContact CD2-CB 3.96Å; N498-D553 PolarHBondContact N-OD1 3.25Å; D553-A555 PolarHBondContact O-N 2.98Å; D553-D561 WeakPolarHBondContact O-CA 3.48Å; D553-R562 HydrophobicContact CB-CB 4.28Å; D553-R562 PolarHBondContact N-O 2.84Å; D553-R562 PolarHBondContact O-N 3.19Å; D553-L564 HydrophobicContact CB-CD1 3.94Å; D553-L564 HydrophobicContact CB-CD2 3.89Å; D553-L564 HydrophobicContact CB-CG 3.9Å
554Q90.3Very high84.5Confident61 Ų6159.8 Ų59.829%0.28532%0.317SS..PPolyproline II helixtrans-68117.6178.4177.3169.971.300110.5R492 N498 F500 V519 D561R492-Q554 PolarHBondContact NH2-O 2.94Å; N498-Q554 HydrophobicContact CB-CB 3.93Å; N498-Q554 WeakPolarHBondContact CB-O 3.07Å; N498-Q554 PolarHBondContact ND2-O 2.77Å; N498-Q554 VanDerWaalsContact O-CB 3.31Å; N498-Q554 WeakPolarHBondContact O-CB 3.34Å; N498-Q554 PolarHBondContact O-N 2.8Å; F500-Q554 HydrophobicContact CD1-CB 4.03Å; F500-Q554 HydrophobicContact CE1-CB 3.9Å; V519-Q554 HydrophobicContact CG1-CB 3.82Å; Q554-D561 WeakPolarHBondContact CA-OD1 3.31Å
555A81.5Confident84.6Confident25 Ų2553 Ų5321%0.20729%0.285CS..PPolyproline II helixtrans-72.7150.8-178.200000112D553 M559 N560 D561D553-A555 PolarHBondContact O-N 2.98Å; A555-M559 HydrophobicContact CB-CB 3.75Å; A555-M559 WeakPolarHBondContact CB-O 3.47Å; A555-N560 VanDerWaalsContact CB-O 3.3Å; A555-N560 WeakPolarHBondContact CB-O 3.4Å; A555-D561 PolarHBondContact N-OD1 2.98Å
556I71.5Confident84.8Confident102 Ų10255.1 Ų55.152%0.52330%0.296SS..SBendtrans-93.6116.7-178.4-63.8172.1000108.4
557F59.5Low84.8Confident174 Ų17453.5 Ų53.576%0.76329%0.286SS*.SBendtrans55.499.5178.2-68.6-70.6000116.4M559F557-M559 PolarHBondContact O-N 3.14Å
558G55.4Low84.7Confident92 Ų9259.3 Ų59.395%0.94831%0.308SS*.SBendtrans69.22.916100000116.8
559M67.2Low84.5Confident138 Ų13857.3 Ų57.368%0.6830%0.299SS*.SBendtrans-93.8157.3170.5-66.6-17869.500110.3A555 F557A555-M559 HydrophobicContact CB-CB 3.75Å; A555-M559 WeakPolarHBondContact CB-O 3.47Å; F557-M559 PolarHBondContact O-N 3.14Å
560N76Confident84Confident156 Ų15657.6 Ų57.683%0.83430%0.302SS*.PPolyproline II helixtrans-71.9142.3175.1-66.9-22.4000111.1A555A555-N560 VanDerWaalsContact CB-O 3.3Å; A555-N560 WeakPolarHBondContact CB-O 3.4Å
561D86.9Confident82.9Confident53 Ų5359.9 Ų59.928%0.28332%0.318SS..PPolyproline II helixtrans-56.5136.2169.7-66-21.3000110.1F500 W552 D553 Q554 A555F500-D561 HydrophobicContact CE1-CB 4.35Å; F500-D561 WeakPolarHBondContact CE1-OD2 3.41Å; F500-D561 HydrophobicContact CZ-CB 4.17Å; F500-D561 WeakPolarHBondContact CZ-OD2 3.26Å; W552-D561 HydrophobicContact CE3-CB 3.86Å; W552-D561 HydrophobicContact CZ3-CB 4.49Å; W552-D561 WeakPolarHBondContact CZ3-O 3.09Å; D553-D561 WeakPolarHBondContact O-CA 3.48Å; Q554-D561 WeakPolarHBondContact CA-OD1 3.31Å; A555-D561 PolarHBondContact N-OD1 2.98Å
562R86.8Confident81.5Confident73 Ų7368.7 Ų68.728%0.27536%0.356SS..EExtended strand (participates in β ladder)trans-91.1128.7179.7166.4-179.8-178.7164.45.5109.7P352 D353 W552 D553 L564P352-R562 PolarHBondContact O-NH2 2.68Å; D353-R562 IonicContact OD1-CZ 2.97Å; D353-R562 IonicContact OD1-NH1 3.1Å; D353-R562 PolarHBondContact OD1-NH1 2.78Å; W552-R562 CarbonylContact C-O 3.58Å; W552-R562 VanDerWaalsContact CA-O 3.28Å; W552-R562 WeakPolarHBondContact CA-O 3.49Å; D553-R562 HydrophobicContact CB-CB 4.28Å; D553-R562 PolarHBondContact N-O 2.84Å; D553-R562 PolarHBondContact O-N 3.19Å; R562-L564 PolarHBondContact O-N 2.73Å
563L90Very high79.4Confident75 Ų7568.3 Ų68.339%0.39337%0.37SS..EExtended strand (participates in β ladder)trans-66.8130.1165.6-175.868000108.6T550 W552T550-L563 HydrophobicContact CG2-CD1 3.89Å; W552-L563 HydrophobicContact CD2-CD1 4.15Å; W552-L563 HydrophobicContact CE3-CB 4.26Å; W552-L563 HydrophobicContact CH2-CB 4.25Å; W552-L563 HydrophobicContact CH2-CD1 4.45Å; W552-L563 HydrophobicContact CZ2-CD1 3.89Å; W552-L563 HydrophobicContact CZ3-CB 4.13Å
564L88.2Confident77.2Confident5 Ų570.8 Ų70.83%0.02640%0.397CS..EExtended strand (participates in β ladder)trans-96.5-35.4175.5-65.9173.2000111.5N447 L489 P490 L497 V551 D553 R562N447-L564 VanDerWaalsContact CB-O 3.32Å; N447-L564 WeakPolarHBondContact CB-O 3.31Å; L489-L564 HydrophobicContact CD1-CD1 4.29Å; P490-L564 HydrophobicContact CG-CB 4.32Å; P490-L564 HydrophobicContact CG-CD2 3.97Å; P490-L564 WeakPolarHBondContact O-CD2 3.24Å; L497-L564 HydrophobicContact CD1-CD1 3.73Å; L497-L564 HydrophobicContact CD1-CD2 4.47Å; L497-L564 HydrophobicContact CD2-CD1 4.11Å; L497-L564 HydrophobicContact CD2-CD2 3.88Å; L497-L564 HydrophobicContact CG-CD1 4.43Å; V551-L564 HydrophobicContact CB-CB 4.43Å; V551-L564 HydrophobicContact CG1-CB 4.42Å; V551-L564 HydrophobicContact CG1-CD1 4.1Å; V551-L564 WeakPolarHBondContact O-CB 3.46Å; V551-L564 PolarHBondContact O-N 3.36Å; D553-L564 HydrophobicContact CB-CD1 3.94Å; D553-L564 HydrophobicContact CB-CD2 3.89Å; D553-L564 HydrophobicContact CB-CG 3.9Å; R562-L564 PolarHBondContact O-N 2.73Å
565G88.9Confident74.6Confident1 Ų172.8 Ų72.81%0.0142%0.424CS..EExtended strand (participates in β ladder)trans173.4170.1172.500000112.4V551 H607V551-G565 PolarHBondContact N-O 2.92Å; V551-G565 PolarHBondContact O-N 2.84Å; G565-H607 CarbonylContact C-O 3.49Å; G565-H607 WeakPolarHBondContact CA-O 3.2Å
566E92.8Very high72.3Confident45 Ų4576.8 Ų76.821%0.2146%0.457CS..EExtended strand (participates in β ladder)trans-134.2143.4-172-176.9-179.1125.700112.8E548 L549 T550 R568 L606 H607E548-E566 HydrophobicContact CG-CG 4.19Å; L549-E566 WeakPolarHBondContact O-CA 3.19Å; T550-E566 HydrophobicContact CG2-CB 3.97Å; T550-E566 HydrophobicContact CG2-CG 3.64Å; E566-R568 IonicContact OE1-CZ 2.73Å; E566-R568 IonicContact OE1-NE 3.77Å; E566-R568 PolarHBondContact OE1-NE 2.92Å; E566-R568 IonicContact OE1-NH2 3.43Å; E566-R568 PolarHBondContact OE1-NH2 3.25Å; E566-R568 IonicContact OE2-NH2 2.73Å; E566-L606 WeakPolarHBondContact O-CA 3.19Å; E566-H607 PolarHBondContact N-O 3.17Å; E566-H607 PolarHBondContact O-N 3.3Å
567A91.5Very high70.8Confident7 Ų774.9 Ų74.96%0.05846%0.462CS..EExtended strand (participates in β ladder)trans-128.9144.416700000111L549 L604 L606L549-A567 PolarHBondContact N-O 3.2Å; L549-A567 PolarHBondContact O-N 2.93Å; A567-L604 HydrophobicContact CB-CB 3.76Å; A567-L604 HydrophobicContact CB-CD1 3.99Å; A567-L604 HydrophobicContact CB-CG 4.4Å; A567-L606 HydrophobicContact CB-CD2 4.13Å
568R90.8Very high69.7Low123 Ų12369.3 Ų69.346%0.46444%0.444SS..EExtended strand (participates in β ladder)trans-123.7131.5177.4-66.7-178-176.7-85.1-13.3110.9L547 E548 E566 S585L547-R568 WeakPolarHBondContact O-CA 3.39Å; E548-R568 VanDerWaalsContact CD-NH2 3.31Å; E548-R568 HydrophobicContact CG-CG 4.32Å; E548-R568 IonicContact OE2-CZ 3.56Å; E548-R568 IonicContact OE2-NH1 2.65Å; E548-R568 PolarHBondContact OE2-NH1 2.96Å; E548-R568 IonicContact OE2-NH2 2.66Å; E548-R568 PolarHBondContact OE2-NH2 3.34Å; E566-R568 IonicContact OE1-CZ 2.73Å; E566-R568 IonicContact OE1-NE 3.77Å; E566-R568 PolarHBondContact OE1-NE 2.92Å; E566-R568 IonicContact OE1-NH2 3.43Å; E566-R568 PolarHBondContact OE1-NH2 3.25Å; E566-R568 IonicContact OE2-NH2 2.73Å; R568-S585 WeakPolarHBondContact O-CB 3.34Å
569L89.7Confident69.1Low2 Ų270.1 Ų70.11%0.0143%0.433CS..EExtended strand (participates in β ladder)trans-115.4135.9171.1-71169.1000109T546 L547 S585 Q588 W589 M602 L604T546-L569 CarbonylContact C-O 3.5Å; T546-L569 WeakPolarHBondContact CA-O 3.28Å; L547-L569 HydrophobicContact CB-CB 4.3Å; L547-L569 HydrophobicContact CD2-CD1 4.26Å; L547-L569 PolarHBondContact N-O 2.88Å; L547-L569 PolarHBondContact O-N 3.17Å; L569-S585 WeakPolarHBondContact CD2-O 3.38Å; L569-Q588 HydrophobicContact CD2-CB 4.08Å; L569-W589 HydrophobicContact CB-CB 4.32Å; L569-W589 HydrophobicContact CB-CD2 4.15Å; L569-W589 HydrophobicContact CB-CE3 3.69Å; L569-W589 HydrophobicContact CB-CG 4.46Å; L569-W589 HydrophobicContact CB-CZ3 4.32Å; L569-W589 HydrophobicContact CD1-CE3 4.29Å; L569-W589 HydrophobicContact CD2-CB 4.4Å; L569-M602 HydrophobicContact CD1-CE 3.76Å; L569-M602 HydrophobicContact CD1-SD 4.48Å; L569-L604 HydrophobicContact CD1-CD1 4.16Å; L569-L604 HydrophobicContact CD1-CD2 4.13Å; L569-L604 HydrophobicContact CD2-CD2 3.78Å; L569-L604 HydrophobicContact CG-CD2 4.04Å
570G84.8Confident68.1Low6 Ų669.2 Ų69.26%0.06243%0.431CS..EExtended strand (participates in β ladder)trans169.3172.9-177.800000113.7
571S70.2Confident66.8Low57 Ų5763.8 Ų63.840%0.39941%0.405SS..SBendtrans-83.2-32.4179.8-172.50000113.5R543 G573 K586R543-S571 WeakPolarHBondContact O-CB 3.32Å; S571-G573 PolarHBondContact O-N 2.94Å; S571-K586 VanDerWaalsContact O-CE 3.26Å; S571-K586 WeakPolarHBondContact O-CE 3.34Å; S571-K586 PolarHBondContact O-NZ 2.85Å
572K64.6Low65.1Low184 Ų18462.3 Ų62.380%0.840%0.403SS*.SBendtrans-74.1118.8164.3-97.3-177171.81790108.7
573G50.2Low64Low48 Ų4861.7 Ų61.750%0.49541%0.409SS..PPolyproline II helixtrans-60.6157.9169.600000111.3S571S571-G573 PolarHBondContact O-N 2.94Å
574G44.5Very low63.3Low60 Ų6062.7 Ų62.762%0.61941%0.412SS*.PPolyproline II helixtrans-59.1162.8176.900000112.9
575A36.2Very low62.7Low102 Ų10263.9 Ų63.984%0.84342%0.421SS*.SBendtrans-56.6149.8176.400000111.6G577A575-G577 PolarHBondContact O-N 3.26Å
576A32.2Very low62.4Low110 Ų11068.7 Ų68.791%0.90944%0.442SS*.SBendtrans-53.8127.1-172.800000112.6
577G40Very low62.1Low61 Ų6172.1 Ų72.163%0.62946%0.461SS*.SBendtrans172.4-29.7177.100000115.8A575A575-G577 PolarHBondContact O-N 3.26Å
578C37.2Very low61.8Low57 Ų5772.8 Ų72.839%0.38546%0.463SS..  trans-150.8125.4177.3-1680000111.2
579P42.6Very low61.8Low109 Ų10967.2 Ų67.271%0.70844%0.442SS*.Hα-helixtrans-70.2-31.2-175.225.7-32.9000113.8
580D46.3Very low61.7Low120 Ų12073.1 Ų73.164%0.64247%0.469SS*.Hα-helixtrans-87.2-40.4-165.4-63.9-26.1000114.5G582 S583 Q584D580-G582 VanDerWaalsContact C-N 3.34Å; D580-G582 PolarHBondContact O-N 2.96Å; D580-S583 PolarHBondContact O-N 3.1Å; D580-S583 PolarHBondContact O-OG 2.76Å; D580-Q584 PolarHBondContact O-N 2.91Å
581S47.7Very low61.9Low41 Ų4179.5 Ų79.529%0.28749%0.491SS..Hα-helixtrans-69.7-30.8-176.864.50000113.5S583 S585S581-S583 VanDerWaalsContact C-N 3.3Å; S581-S583 PolarHBondContact O-N 3.19Å; S581-S585 PolarHBondContact O-N 2.96Å; S581-S585 PolarHBondContact O-OG 2.84Å
582G52.6Low62.8Low23 Ų2376.8 Ų76.824%0.23747%0.472CS..Hα-helixtrans-66.7-30.2174.500000113.2D580 K586D580-G582 VanDerWaalsContact C-N 3.34Å; D580-G582 PolarHBondContact O-N 2.96Å; G582-K586 WeakPolarHBondContact O-CB 3.49Å; G582-K586 PolarHBondContact O-N 2.85Å
583S62.8Low63.9Low59 Ų5968.8 Ų68.841%0.41344%0.438SS..Hα-helixtrans-72-49.3179.677.50000111.9D580 S581 S585 K586 L587D580-S583 PolarHBondContact O-N 3.1Å; D580-S583 PolarHBondContact O-OG 2.76Å; S581-S583 VanDerWaalsContact C-N 3.3Å; S581-S583 PolarHBondContact O-N 3.19Å; S583-S585 PolarHBondContact O-N 3.47Å; S583-K586 PolarHBondContact O-N 2.82Å; S583-L587 WeakPolarHBondContact O-CG 3.06Å; S583-L587 PolarHBondContact O-N 2.61Å
584Q74.8Confident65.7Low97 Ų9769.7 Ų69.745%0.45344%0.437SS..Hα-helixtrans-62.5-45.3-176.6-170.1-175.540.500111.4D580 K586 L587 Q588D580-Q584 PolarHBondContact O-N 2.91Å; Q584-K586 VanDerWaalsContact C-N 3.32Å; Q584-K586 PolarHBondContact O-N 2.89Å; Q584-L587 PolarHBondContact O-N 2.96Å; Q584-Q588 WeakPolarHBondContact O-CB 3.42Å; Q584-Q588 WeakPolarHBondContact O-CG 3.5Å; Q584-Q588 PolarHBondContact O-N 3.42Å
585S77.4Confident67.7Low30 Ų3068.4 Ų68.421%0.2142%0.418CS..Hα-helixtrans-63.6-36.8179.6-54.90000112.2R568 L569 S581 S583 W589R568-S585 WeakPolarHBondContact O-CB 3.34Å; L569-S585 WeakPolarHBondContact CD2-O 3.38Å; S581-S585 PolarHBondContact O-N 2.96Å; S581-S585 PolarHBondContact O-OG 2.84Å; S583-S585 PolarHBondContact O-N 3.47Å; S585-W589 WeakPolarHBondContact O-CB 3.39Å; S585-W589 PolarHBondContact O-N 3.06Å
586K81.4Confident70Confident102 Ų10266 Ų6644%0.44339%0.394SS..Hα-helixtrans-71.1-42.3176.3-175173.1178.3172.20112.2S571 G582 S583 Q584 W589 H590S571-K586 VanDerWaalsContact O-CE 3.26Å; S571-K586 WeakPolarHBondContact O-CE 3.34Å; S571-K586 PolarHBondContact O-NZ 2.85Å; G582-K586 WeakPolarHBondContact O-CB 3.49Å; G582-K586 PolarHBondContact O-N 2.85Å; S583-K586 PolarHBondContact O-N 2.82Å; Q584-K586 VanDerWaalsContact C-N 3.32Å; Q584-K586 PolarHBondContact O-N 2.89Å; K586-W589 PolarHBondContact O-N 3.01Å; K586-H590 WeakPolarHBondContact O-CB 3.36Å; K586-H590 PolarHBondContact O-N 3.1Å
587L85.6Confident72.5Confident117 Ų11764.4 Ų64.461%0.61337%0.37SS*.Hα-helixtrans-62.4-43.5174.9-72.2167.8000111.7S583 Q584 H590 R591S583-L587 WeakPolarHBondContact O-CG 3.06Å; S583-L587 PolarHBondContact O-N 2.61Å; Q584-L587 PolarHBondContact O-N 2.96Å; L587-H590 PolarHBondContact O-N 3.28Å; L587-R591 WeakPolarHBondContact O-CB 3.2Å; L587-R591 PolarHBondContact O-N 3.48Å
588Q87.2Confident74.9Confident21 Ų2166.8 Ų66.810%0.09837%0.368CS..Hα-helixtrans-59.8-49.2174.2-80.4-177.55.400111.6L569 Q584 H590 R591 V592 M602 T603L569-Q588 HydrophobicContact CD2-CB 4.08Å; Q584-Q588 WeakPolarHBondContact O-CB 3.42Å; Q584-Q588 WeakPolarHBondContact O-CG 3.5Å; Q584-Q588 PolarHBondContact O-N 3.42Å; Q588-H590 PolarHBondContact O-N 3.03Å; Q588-R591 WeakPolarHBondContact O-CB 3.4Å; Q588-R591 PolarHBondContact O-N 3.22Å; Q588-V592 WeakPolarHBondContact O-CG2 3.29Å; Q588-V592 PolarHBondContact O-N 2.89Å; Q588-M602 HydrophobicContact CB-CG 4.29Å; Q588-M602 HydrophobicContact CB-SD 3.69Å; Q588-M602 HydrophobicContact CG-CB 4.5Å; Q588-M602 HydrophobicContact CG-CG 4.22Å; Q588-M602 HydrophobicContact CG-SD 4.27Å; Q588-T603 PolarHBondContact NE2-O 2.98Å; Q588-T603 VanDerWaalsContact NE2-O 3.07Å
589W89.4Confident77.5Confident6 Ų669.8 Ų69.82%0.02337%0.371CS..Hα-helixtrans-59.9-44175.9-171.4-116.9000112.4L479 L505 L542 L547 L569 S585 K586 R591 V592 L593L479-W589 HydrophobicContact CD2-CH2 3.64Å; L479-W589 HydrophobicContact CD2-CZ3 4.13Å; L505-W589 HydrophobicContact CD1-CH2 4.32Å; L542-W589 HydrophobicContact CD2-CH2 4.48Å; L542-W589 HydrophobicContact CD2-CZ2 4.32Å; L542-W589 PolarHBondContact O-NE1 3.32Å; L547-W589 HydrophobicContact CB-CH2 3.94Å; L547-W589 HydrophobicContact CB-CZ3 3.96Å; L547-W589 HydrophobicContact CD2-CH2 4.29Å; L547-W589 HydrophobicContact CD2-CZ3 3.76Å; L569-W589 HydrophobicContact CB-CB 4.32Å; L569-W589 HydrophobicContact CB-CD2 4.15Å; L569-W589 HydrophobicContact CB-CE3 3.69Å; L569-W589 HydrophobicContact CB-CG 4.46Å; L569-W589 HydrophobicContact CB-CZ3 4.32Å; L569-W589 HydrophobicContact CD1-CE3 4.29Å; L569-W589 HydrophobicContact CD2-CB 4.4Å; S585-W589 WeakPolarHBondContact O-CB 3.39Å; S585-W589 PolarHBondContact O-N 3.06Å; K586-W589 PolarHBondContact O-N 3.01Å; W589-R591 VanDerWaalsContact C-N 3.33Å; W589-R591 PolarHBondContact O-N 2.86Å; W589-V592 PolarHBondContact O-N 3.35Å; W589-L593 WeakPolarHBondContact O-CG 3.17Å; W589-L593 PolarHBondContact O-N 3.14Å
590H88Confident79.9Confident125 Ų12565.1 Ų65.158%0.57934%0.341SS*.Hα-helixtrans-61-41.8177.6-165.4-79.2000112K586 L587 Q588 V592 L593 S594K586-H590 WeakPolarHBondContact O-CB 3.36Å; K586-H590 PolarHBondContact O-N 3.1Å; L587-H590 PolarHBondContact O-N 3.28Å; Q588-H590 PolarHBondContact O-N 3.03Å; H590-V592 VanDerWaalsContact C-N 3.33Å; H590-V592 PolarHBondContact O-N 3.01Å; H590-L593 PolarHBondContact O-N 2.81Å; H590-L593 VanDerWaalsContact O-N 3.1Å; H590-S594 WeakPolarHBondContact O-CB 3.43Å; H590-S594 PolarHBondContact O-N 2.84Å; H590-S594 PolarHBondContact O-OG 3.22Å; H590-S594 VanDerWaalsContact O-OG 3.1Å
591R88.7Confident82Confident141 Ų14163.4 Ų63.453%0.53233%0.332SS..Hα-helixtrans-58.4-42.3177.5-170.3-177.1-66.8172.2-2.6112.3L587 Q588 W589 L593 S594 S595 T600L587-R591 WeakPolarHBondContact O-CB 3.2Å; L587-R591 PolarHBondContact O-N 3.48Å; Q588-R591 WeakPolarHBondContact O-CB 3.4Å; Q588-R591 PolarHBondContact O-N 3.22Å; W589-R591 VanDerWaalsContact C-N 3.33Å; W589-R591 PolarHBondContact O-N 2.86Å; R591-L593 VanDerWaalsContact C-N 3.31Å; R591-L593 PolarHBondContact O-N 3.25Å; R591-S594 WeakPolarHBondContact CA-OG 3.48Å; R591-S594 PolarHBondContact O-N 3.18Å; R591-S594 PolarHBondContact O-OG 3.25Å; R591-S594 VanDerWaalsContact O-OG 3.14Å; R591-S595 WeakPolarHBondContact O-CB 3.47Å; R591-S595 PolarHBondContact O-N 3.27Å; R591-S595 PolarHBondContact O-OG 3.02Å; R591-T600 HydrophobicContact CB-CG2 4.33Å; R591-T600 HydrophobicContact CG-CG2 3.9Å
592V89.3Confident84.2Confident0 Ų061.8 Ų61.80%032%0.32CS..Hα-helixtrans-62.2-38.2175.6178.10000111.8A454 L479 Q588 W589 H590 T600 M602A454-V592 HydrophobicContact CB-CB 4.45Å; A454-V592 HydrophobicContact CB-CG1 3.77Å; A454-V592 HydrophobicContact CB-CG2 3.72Å; L479-V592 HydrophobicContact CD1-CG1 4.14Å; Q588-V592 WeakPolarHBondContact O-CG2 3.29Å; Q588-V592 PolarHBondContact O-N 2.89Å; W589-V592 PolarHBondContact O-N 3.35Å; H590-V592 VanDerWaalsContact C-N 3.33Å; H590-V592 PolarHBondContact O-N 3.01Å; V592-T600 HydrophobicContact CG2-CG2 4.05Å; V592-M602 HydrophobicContact CG2-CE 3.9Å; V592-M602 HydrophobicContact CG2-SD 3.59Å; V592-M602 VanDerWaalsContact CG2-SD 3.59Å
593L88.3Confident86Confident15 Ų1563.8 Ų63.88%0.07933%0.327CS..Hα-helixtrans-82-29.4-178.4-60.5-176000113.6L456 L542 R543 W589 H590 R591 S595L456-L593 HydrophobicContact CD2-CD2 4.03Å; L542-L593 HydrophobicContact CB-CD1 4.36Å; L542-L593 HydrophobicContact CB-CD2 3.75Å; L542-L593 HydrophobicContact CD1-CD2 4.05Å; R543-L593 HydrophobicContact CG-CD1 3.98Å; W589-L593 WeakPolarHBondContact O-CG 3.17Å; W589-L593 PolarHBondContact O-N 3.14Å; H590-L593 PolarHBondContact O-N 2.81Å; H590-L593 VanDerWaalsContact O-N 3.1Å; R591-L593 VanDerWaalsContact C-N 3.31Å; R591-L593 PolarHBondContact O-N 3.25Å; L593-S595 VanDerWaalsContact C-N 3.34Å
594S86.8Confident87.3Confident67 Ų6761.2 Ų61.247%0.46931%0.309SS..Hα-helixtrans-79.2-16.8177.259.40000113.7H590 R591 P596H590-S594 WeakPolarHBondContact O-CB 3.43Å; H590-S594 PolarHBondContact O-N 2.84Å; H590-S594 PolarHBondContact O-OG 3.22Å; H590-S594 VanDerWaalsContact O-OG 3.1Å; R591-S594 WeakPolarHBondContact CA-OG 3.48Å; R591-S594 PolarHBondContact O-N 3.18Å; R591-S594 PolarHBondContact O-OG 3.25Å; R591-S594 VanDerWaalsContact O-OG 3.14Å; S594-P596 WeakPolarHBondContact O-CD 3.14Å
595S86.6Confident87.9Confident34 Ų3459 Ų5924%0.23830%0.302CS..SBendtrans-117.961.8-175.9-55.80000111.2R591 L593 L598R591-S595 WeakPolarHBondContact O-CB 3.47Å; R591-S595 PolarHBondContact O-N 3.27Å; R591-S595 PolarHBondContact O-OG 3.02Å; L593-S595 VanDerWaalsContact C-N 3.34Å; S595-L598 PolarHBondContact O-N 3.31Å
596P85Confident88.4Confident52 Ų5257.5 Ų57.534%0.33829%0.292SS..THydrogen-bonded Turntrans-60.1150.1179.928.5-35.7000111L458 S594 L598L458-P596 HydrophobicContact CD1-CB 3.77Å; L458-P596 HydrophobicContact CD1-CG 4.35Å; L458-P596 HydrophobicContact CG-CB 4.15Å; S594-P596 WeakPolarHBondContact O-CD 3.14Å; P596-L598 PolarHBondContact O-N 2.91Å
597N85.7Confident88.4Confident76 Ų7657.3 Ų57.341%0.40629%0.292SS..THydrogen-bonded Turntrans61.5-1-175.1-60.5-42.9000116.1K455 L456 V457 L458K455-N597 WeakPolarHBondContact CE-O 3.19Å; K455-N597 PolarHBondContact NZ-O 2.72Å; L456-N597 PolarHBondContact O-N 3.46Å; V457-N597 WeakPolarHBondContact CA-OD1 3.25Å; L458-N597 PolarHBondContact N-OD1 3.27Å
598L90.2Very high88.6Confident110 Ų11054.3 Ų54.358%0.57628%0.276SS*.SBendtrans-100.8153.6172.9-66.2168.4000111.7K455 S595 P596K455-L598 WeakPolarHBondContact CA-O 3.12Å; K455-L598 VanDerWaalsContact CB-O 3.29Å; K455-L598 WeakPolarHBondContact CB-O 3.45Å; K455-L598 WeakPolarHBondContact CG-O 2.8Å; S595-L598 PolarHBondContact O-N 3.31Å; P596-L598 PolarHBondContact O-N 2.91Å
599W90.8Very high88.6Confident120 Ų12056.1 Ų56.146%0.45529%0.285SS..  trans-89.3133.5172.2-72.4113.6000110.1R453 K455 C480 V482R453-W599 HydrophobicContact CG-CB 4.12Å; R453-W599 HydrophobicContact CG-CD2 3.9Å; R453-W599 HydrophobicContact CG-CE3 3.35Å; R453-W599 HydrophobicContact CG-CG 4.27Å; R453-W599 HydrophobicContact CG-CZ3 3.96Å; K455-W599 HydrophobicContact CB-CD2 3.67Å; K455-W599 HydrophobicContact CB-CE3 3.26Å; K455-W599 HydrophobicContact CB-CG 4.35Å; K455-W599 HydrophobicContact CB-CH2 4.25Å; K455-W599 HydrophobicContact CB-CZ3 3.59Å; K455-W599 HydrophobicContact CD-CD2 3.84Å; K455-W599 HydrophobicContact CD-CE3 4.29Å; K455-W599 HydrophobicContact CD-CG 4.13Å; K455-W599 HydrophobicContact CD-CZ2 4.29Å; K455-W599 HydrophobicContact CG-CD2 4.41Å; K455-W599 HydrophobicContact CG-CE3 4.4Å; C480-W599 HydrophobicContact CB-CH2 3.98Å; C480-W599 HydrophobicContact CB-CZ3 4.18Å; V482-W599 HydrophobicContact CG2-CH2 3.77Å; V482-W599 HydrophobicContact CG2-CZ3 3.94Å
600T92.4Very high88.6Confident12 Ų1258.8 Ų58.87%0.07430%0.3CS..EExtended strand (participates in β ladder)trans-119.1121.9175.8-60.40000109.5R453 A454 R591 V592 M602R453-T600 CarbonylContact C-O 3.51Å; R453-T600 WeakPolarHBondContact CA-O 3.43Å; A454-T600 PolarHBondContact N-O 3.26Å; A454-T600 PolarHBondContact O-N 2.84Å; R591-T600 HydrophobicContact CB-CG2 4.33Å; R591-T600 HydrophobicContact CG-CG2 3.9Å; V592-T600 HydrophobicContact CG2-CG2 4.05Å; T600-M602 HydrophobicContact CG2-CG 4.03Å; T600-M602 HydrophobicContact CG2-SD 4.36Å
601D92Very high88.6Confident83 Ų8354.9 Ų54.944%0.44428%0.283SS..EExtended strand (participates in β ladder)trans-90.6137.6177.8-72.212.3000110.5R453R453-D601 WeakPolarHBondContact CB-OD1 3.36Å; R453-D601 VanDerWaalsContact CG-OD1 3.25Å; R453-D601 WeakPolarHBondContact CG-OD1 3.44Å; R453-D601 IonicContact CZ-OD1 2.63Å; R453-D601 IonicContact CZ-OD2 2.99Å; R453-D601 IonicContact NE-OD1 3.53Å; R453-D601 PolarHBondContact NE-OD1 3.01Å; R453-D601 IonicContact NE-OD2 3.48Å; R453-D601 PolarHBondContact NE-OD2 3.17Å; R453-D601 IonicContact NH2-OD1 3.6Å; R453-D601 PolarHBondContact NH2-OD1 3.45Å; R453-D601 IonicContact NH2-OD2 4Å; R453-D601 PolarHBondContact NH2-OD2 2.99Å
602M92.2Very high88.6Confident8 Ų849.6 Ų49.64%0.03927%0.268CS..EExtended strand (participates in β ladder)trans-144.1136.9-172-55.8-179.5-59.300110.2V452 A454 L569 Q588 V592 T600V452-M602 HydrophobicContact CG2-CB 3.97Å; V452-M602 HydrophobicContact CG2-CE 3.71Å; V452-M602 PolarHBondContact N-O 3.03Å; V452-M602 PolarHBondContact O-N 2.82Å; A454-M602 HydrophobicContact CB-CE 3.7Å; L569-M602 HydrophobicContact CD1-CE 3.76Å; L569-M602 HydrophobicContact CD1-SD 4.48Å; Q588-M602 HydrophobicContact CB-CG 4.29Å; Q588-M602 HydrophobicContact CB-SD 3.69Å; Q588-M602 HydrophobicContact CG-CB 4.5Å; Q588-M602 HydrophobicContact CG-CG 4.22Å; Q588-M602 HydrophobicContact CG-SD 4.27Å; V592-M602 HydrophobicContact CG2-CE 3.9Å; V592-M602 HydrophobicContact CG2-SD 3.59Å; V592-M602 VanDerWaalsContact CG2-SD 3.59Å; T600-M602 HydrophobicContact CG2-CG 4.03Å; T600-M602 HydrophobicContact CG2-SD 4.36Å
603T91.1Very high88.6Confident64 Ų6452.9 Ų52.939%0.39329%0.286SS..EExtended strand (participates in β ladder)trans-107.8126.4167.4-55.80000107.7E449 Q588E449-T603 HydrophobicContact CB-CG2 3.93Å; E449-T603 HydrophobicContact CG-CG2 4.23Å; E449-T603 WeakPolarHBondContact OE2-CG2 3.4Å; Q588-T603 PolarHBondContact NE2-O 2.98Å; Q588-T603 VanDerWaalsContact NE2-O 3.07Å
604L90.9Very high88.6Confident5 Ų555.6 Ų55.63%0.02630%0.301CS..EExtended strand (participates in β ladder)trans-109.9128.3-178.1-56.1173.6000109.2E449 L450 V452 L549 A567 L569E449-L604 CarbonylContact C-O 3.48Å; E449-L604 WeakPolarHBondContact CA-O 3.3Å; L450-L604 HydrophobicContact CB-CB 4.44Å; L450-L604 PolarHBondContact N-O 3.18Å; L450-L604 PolarHBondContact O-N 2.97Å; V452-L604 HydrophobicContact CG1-CD1 4.29Å; V452-L604 HydrophobicContact CG2-CD1 3.84Å; V452-L604 HydrophobicContact CG2-CG 4.22Å; L549-L604 HydrophobicContact CD1-CD1 3.6Å; A567-L604 HydrophobicContact CB-CB 3.76Å; A567-L604 HydrophobicContact CB-CD1 3.99Å; A567-L604 HydrophobicContact CB-CG 4.4Å; L569-L604 HydrophobicContact CD1-CD1 4.16Å; L569-L604 HydrophobicContact CD1-CD2 4.13Å; L569-L604 HydrophobicContact CD2-CD2 3.78Å; L569-L604 HydrophobicContact CG-CD2 4.04Å
605V87.8Confident88.7Confident50 Ų5054.7 Ų54.730%0.30329%0.288SS..EExtended strand (participates in β ladder)trans-73.2133.1168.2-1780000108.2N446N446-V605 HydrophobicContact CB-CG1 4.49Å
606L87.3Confident88.9Confident0 Ų056.4 Ų56.40%029%0.292CS..  trans-90.8130.9173.6-62.3170.5000109.1N447 G448 L450 L489 V551 E566 A567N447-L606 HydrophobicContact CB-CB 4.18Å; N447-L606 PolarHBondContact N-O 2.93Å; G448-L606 WeakPolarHBondContact O-CB 3.34Å; G448-L606 PolarHBondContact O-N 3.29Å; L450-L606 HydrophobicContact CB-CD1 4.3Å; L450-L606 HydrophobicContact CB-CD2 4.01Å; L450-L606 HydrophobicContact CB-CG 4.2Å; L450-L606 HydrophobicContact CD2-CD2 4.44Å; L489-L606 HydrophobicContact CD2-CD1 3.5Å; V551-L606 HydrophobicContact CB-CD1 4.35Å; V551-L606 HydrophobicContact CG2-CD1 3.73Å; V551-L606 HydrophobicContact CG2-CD2 3.88Å; V551-L606 HydrophobicContact CG2-CG 4.49Å; E566-L606 WeakPolarHBondContact O-CA 3.19Å; A567-L606 HydrophobicContact CB-CD2 4.13Å
607H81.7Confident89.3Confident97 Ų9756.8 Ų56.845%0.44929%0.288SS..  trans-104.70173.8-62.2-58.1000111.3N447 G565 E566N447-H607 VanDerWaalsContact ND2-C 3.35Å; N447-H607 PolarHBondContact ND2-OXT 3.26Å; G565-H607 CarbonylContact C-O 3.49Å; G565-H607 WeakPolarHBondContact CA-O 3.2Å; E566-H607 PolarHBondContact N-O 3.17Å; E566-H607 PolarHBondContact O-N 3.3Å

Retrieved 607 of 607 residues in 907.1 ms (Link to these results)

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