A0A077ZPW7_TRITR Loading...

HTH-type transcriptional regulator frlR

AlphaFold DB , UniProt , Accession A0A077ZPW7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 667 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
1M33.2Very low48.6Very low243 Ų243133.1 Ų133.1100%1.19767%0.669SS**  099.20-95.6175.1150.200105.9D3M1-D3 PolarHBondContact O-N 3.14Å
2E33.4Very low51Low195 Ų195128.8 Ų128.891%0.91165%0.649SS**  trans-65.6127.9175.2-78.1173.1152.400109.5K4E2-K4 PolarHBondContact O-N 3.18Å
3D36.5Very low53.5Low145 Ų145125.7 Ų125.778%0.77563%0.631SS**  trans-65.899.4-175.5-117.4-36.9000110.2M1 K5M1-D3 PolarHBondContact O-N 3.14Å; D3-K5 VanDerWaalsContact C-N 3.29Å; D3-K5 PolarHBondContact O-N 2.94Å
4K35.6Very low56.2Low202 Ų202116.8 Ų116.888%0.87859%0.587SS**  trans-71.781.5168.1-75.4-178.7176.6177.20109.5E2E2-K4 PolarHBondContact O-N 3.18Å
5K34Very low58.4Low168 Ų168109.1 Ų109.173%0.7355%0.548SS*.  trans-132.7113.5169.1-76.5-175.6178.8170.50112.8D3D3-K5 VanDerWaalsContact C-N 3.29Å; D3-K5 PolarHBondContact O-N 2.94Å
6T36.7Very low59.7Low114 Ų114105.8 Ų105.870%0.69954%0.543SS*.  trans72.445.216144.20000119.1K8T6-K8 PolarHBondContact O-N 3.22Å
7T37Very low61.5Low133 Ų133103.1 Ų103.182%0.81653%0.528SS*.  trans-67.5110.5151.3-12.50000107.9A9T7-A9 PolarHBondContact O-N 2.87Å
8K50.1Low63.1Low88 Ų8897.4 Ų97.438%0.38350%0.498SS..  trans-48.5136.8160.2-91.9-176.2173.4-173.60107T6 K10 G292 F293 K294T6-K8 PolarHBondContact O-N 3.22Å; K8-K10 PolarHBondContact O-N 2.9Å; K8-G292 PolarHBondContact NZ-O 3.04Å; K8-G292 VanDerWaalsContact NZ-O 3.17Å; K8-F293 WeakPolarHBondContact CE-O 3.04Å; K8-F293 PolarHBondContact NZ-O 2.82Å; K8-K294 VanDerWaalsContact NZ-N 3.12Å
9A68.5Low64.2Low51 Ų5194.8 Ų94.842%0.42148%0.484SS..  trans-60.7110-177.300000107.9T7 F11 N12T7-A9 PolarHBondContact O-N 2.87Å; A9-F11 HydrophobicContact CB-CD1 3.39Å; A9-F11 HydrophobicContact CB-CE1 3.37Å; A9-F11 PolarHBondContact O-N 2.89Å; A9-N12 PolarHBondContact O-N 3.4Å
10K80.8Confident64.9Low77 Ų7795.4 Ų95.434%0.33548%0.483SS..Hα-helixtrans-44.1-20.1-175.1-177.977.5170.3-177.30114K8 V14 F43 D44 C45 T49K8-K10 PolarHBondContact O-N 2.9Å; K10-V14 VanDerWaalsContact O-CG2 3.31Å; K10-V14 WeakPolarHBondContact O-CG2 3.32Å; K10-V14 PolarHBondContact O-N 3.39Å; K10-F43 WeakPolarHBondContact CE-O 3.47Å; K10-F43 PolarHBondContact NZ-O 3.45Å; K10-D44 WeakPolarHBondContact CE-O 3.39Å; K10-C45 HydrophobicContact CD-CB 4.34Å; K10-C45 HydrophobicContact CG-CB 3.59Å; K10-T49 VanDerWaalsContact C-CG2 3.43Å; K10-T49 HydrophobicContact CB-CG2 3.64Å; K10-T49 HydrophobicContact CG-CG2 3.77Å
11F88.5Confident66Low48 Ų4892.4 Ų92.421%0.21147%0.466CS..Hα-helixtrans-67.7-34175.986.2-92.4000114A9 Q13 V14 S15 T49 K52 A53A9-F11 HydrophobicContact CB-CD1 3.39Å; A9-F11 HydrophobicContact CB-CE1 3.37Å; A9-F11 PolarHBondContact O-N 2.89Å; F11-Q13 VanDerWaalsContact C-N 3.32Å; F11-Q13 PolarHBondContact O-N 2.8Å; F11-V14 PolarHBondContact O-N 3.29Å; F11-S15 WeakPolarHBondContact O-CB 3.33Å; F11-S15 PolarHBondContact O-N 3.05Å; F11-T49 HydrophobicContact CB-CG2 3.77Å; F11-T49 VanDerWaalsContact CB-O 3.31Å; F11-T49 WeakPolarHBondContact CB-O 3.34Å; F11-K52 HydrophobicContact CB-CB 3.76Å; F11-K52 HydrophobicContact CD1-CB 4.4Å; F11-K52 HydrophobicContact CD1-CD 4.22Å; F11-K52 HydrophobicContact CD2-CB 3.95Å; F11-K52 HydrophobicContact CG-CB 3.79Å; F11-K52 HydrophobicContact CG-CD 4.42Å; F11-A53 HydrophobicContact CB-CB 4.29Å; F11-A53 WeakPolarHBondContact O-CB 3.38Å
12N78.1Confident68.3Low81 Ų8181.2 Ų81.243%0.43341%0.411SS..Hα-helixtrans-64.1-39.8177.5-78.3-6.7000111.3A9 S15 A16A9-N12 PolarHBondContact O-N 3.4Å; N12-S15 PolarHBondContact O-N 3.03Å; N12-A16 PolarHBondContact O-N 2.68Å
13Q83.2Confident69.8Low89 Ų8975.5 Ų75.542%0.41638%0.384SS..Hα-helixtrans-64.7-46.7176.4-69.3173.7-19.500111.1F11 S15 A16 E17F11-Q13 VanDerWaalsContact C-N 3.32Å; F11-Q13 PolarHBondContact O-N 2.8Å; Q13-S15 VanDerWaalsContact C-N 3.29Å; Q13-S15 PolarHBondContact O-N 3.28Å; Q13-A16 PolarHBondContact O-N 3.38Å; Q13-E17 WeakPolarHBondContact O-CB 3.26Å; Q13-E17 PolarHBondContact O-N 3.4Å
14V91Very high71.4Confident1 Ų173.6 Ų73.61%0.00637%0.37CS..Hα-helixtrans-59.9-42.21761750000110.8K10 F11 I18 F43 I50 A53K10-V14 VanDerWaalsContact O-CG2 3.31Å; K10-V14 WeakPolarHBondContact O-CG2 3.32Å; K10-V14 PolarHBondContact O-N 3.39Å; F11-V14 PolarHBondContact O-N 3.29Å; V14-I18 HydrophobicContact CG1-CD1 3.77Å; V14-I18 HydrophobicContact CG1-CG1 4.43Å; V14-I18 VanDerWaalsContact O-CG1 3.3Å; V14-I18 WeakPolarHBondContact O-CG1 3.28Å; V14-I18 PolarHBondContact O-N 2.58Å; V14-F43 HydrophobicContact CB-CD1 4.41Å; V14-F43 HydrophobicContact CG1-CD2 4.22Å; V14-F43 HydrophobicContact CG1-CE2 4.26Å; V14-F43 HydrophobicContact CG1-CG 4.37Å; V14-F43 HydrophobicContact CG1-CZ 4.42Å; V14-F43 HydrophobicContact CG2-CB 3.93Å; V14-F43 HydrophobicContact CG2-CD1 3.76Å; V14-F43 HydrophobicContact CG2-CD2 4.44Å; V14-F43 HydrophobicContact CG2-CE1 4.34Å; V14-F43 HydrophobicContact CG2-CG 3.79Å; V14-I50 HydrophobicContact CB-CD1 4.46Å; V14-I50 HydrophobicContact CG1-CD1 3.62Å; V14-I50 HydrophobicContact CG2-CD1 4Å; V14-A53 HydrophobicContact CB-CB 3.72Å; V14-A53 HydrophobicContact CG1-CB 3.5Å
15S89.2Confident73Confident2 Ų264.9 Ų64.91%0.01434%0.337CS..Hα-helixtrans-62.2-52179.4-173.80000111.7F11 N12 Q13 E17 I18 E19 D56 L57F11-S15 WeakPolarHBondContact O-CB 3.33Å; F11-S15 PolarHBondContact O-N 3.05Å; N12-S15 PolarHBondContact O-N 3.03Å; Q13-S15 VanDerWaalsContact C-N 3.29Å; Q13-S15 PolarHBondContact O-N 3.28Å; S15-E17 VanDerWaalsContact C-N 3.31Å; S15-E17 PolarHBondContact O-N 3.11Å; S15-I18 PolarHBondContact O-N 2.71Å; S15-E19 WeakPolarHBondContact O-CB 3.48Å; S15-E19 PolarHBondContact O-N 3.43Å; S15-D56 PolarHBondContact OG-OD2 3.32Å; S15-L57 WeakPolarHBondContact OG-CD2 3.35Å; S15-L57 WeakPolarHBondContact OG-CG 3.44Å
16A80.2Confident75.1Confident56 Ų5661.2 Ų61.246%0.46333%0.325SS..Hα-helixtrans-61.9-38.4-179.700000112.2N12 Q13 E19 K20N12-A16 PolarHBondContact O-N 2.68Å; Q13-A16 PolarHBondContact O-N 3.38Å; A16-E19 PolarHBondContact O-N 2.78Å; A16-K20 WeakPolarHBondContact O-CB 3.39Å; A16-K20 PolarHBondContact O-N 2.93Å
17E89Confident77.5Confident60 Ų6056.4 Ų56.428%0.2829%0.294SS..Hα-helixtrans-70.3-40.9178.5178.958-159.300112.4Q13 S15 E19 K20 R21 F43Q13-E17 WeakPolarHBondContact O-CB 3.26Å; Q13-E17 PolarHBondContact O-N 3.4Å; S15-E17 VanDerWaalsContact C-N 3.31Å; S15-E17 PolarHBondContact O-N 3.11Å; E17-E19 VanDerWaalsContact C-N 3.32Å; E17-E19 PolarHBondContact O-N 2.95Å; E17-K20 PolarHBondContact O-N 2.94Å; E17-R21 VanDerWaalsContact O-CG 3.27Å; E17-R21 WeakPolarHBondContact O-CG 3.32Å; E17-R21 PolarHBondContact O-N 3.38Å; E17-R21 IonicContact OE1-CZ 3.33Å; E17-R21 IonicContact OE1-NE 2.67Å; E17-R21 PolarHBondContact OE1-NE 2.89Å; E17-R21 IonicContact OE1-NH2 2.78Å; E17-R21 PolarHBondContact OE1-NH2 3.36Å; E17-F43 HydrophobicContact CB-CE1 3.78Å; E17-F43 HydrophobicContact CB-CZ 4.01Å; E17-F43 HydrophobicContact CG-CE1 3.56Å; E17-F43 HydrophobicContact CG-CZ 3.62Å
18I91.6Very high79.4Confident0 Ų051.5 Ų51.50%026%0.264CS..Hα-helixtrans-64-41174.1-68.4170.5000110.4V14 S15 R21 I22 Y27 L33 L39 F43 L57 L63V14-I18 HydrophobicContact CG1-CD1 3.77Å; V14-I18 HydrophobicContact CG1-CG1 4.43Å; V14-I18 VanDerWaalsContact O-CG1 3.3Å; V14-I18 WeakPolarHBondContact O-CG1 3.28Å; V14-I18 PolarHBondContact O-N 2.58Å; S15-I18 PolarHBondContact O-N 2.71Å; I18-R21 PolarHBondContact O-N 2.58Å; I18-I22 HydrophobicContact CG2-CD1 4.03Å; I18-I22 VanDerWaalsContact O-CG1 3.28Å; I18-I22 WeakPolarHBondContact O-CG1 3.32Å; I18-I22 PolarHBondContact O-N 2.99Å; I18-Y27 HydrophobicContact CG2-CD2 4.26Å; I18-Y27 HydrophobicContact CG2-CE2 4.35Å; I18-L33 HydrophobicContact CG2-CD1 4Å; I18-L33 HydrophobicContact CG2-CD2 4.48Å; I18-L39 HydrophobicContact CD1-CD1 4.32Å; I18-F43 HydrophobicContact CG1-CE2 4.4Å; I18-F43 HydrophobicContact CG1-CZ 4.32Å; I18-L57 HydrophobicContact CB-CD1 3.73Å; I18-L57 HydrophobicContact CD1-CD1 4.37Å; I18-L57 HydrophobicContact CG2-CD1 3.49Å; I18-L57 VanDerWaalsContact CG2-CD1 3.49Å; I18-L63 HydrophobicContact CG2-CD1 4.43Å
19E84Confident80.5Confident48 Ų4848.7 Ų48.722%0.22426%0.255CS..Hα-helixtrans-61.3-46176-175.6160.8-159.900111.8S15 A16 E17 R21 I22 H23 L57 K60 I62S15-E19 WeakPolarHBondContact O-CB 3.48Å; S15-E19 PolarHBondContact O-N 3.43Å; A16-E19 PolarHBondContact O-N 2.78Å; E17-E19 VanDerWaalsContact C-N 3.32Å; E17-E19 PolarHBondContact O-N 2.95Å; E19-R21 PolarHBondContact O-N 3.33Å; E19-I22 WeakPolarHBondContact O-CB 3.34Å; E19-I22 PolarHBondContact O-N 3.24Å; E19-I22 VanDerWaalsContact O-N 3.15Å; E19-H23 PolarHBondContact O-N 3.26Å; E19-L57 HydrophobicContact CB-CD2 3.92Å; E19-L57 HydrophobicContact CG-CD2 4.48Å; E19-K60 IonicContact OE2-NZ 2.58Å; E19-K60 PolarHBondContact OE2-NZ 3.33Å; E19-I62 VanDerWaalsContact CD-CD1 3.5Å; E19-I62 HydrophobicContact CG-CD1 3.96Å; E19-I62 WeakPolarHBondContact OE1-CD1 3.47Å
20K78.3Confident81Confident107 Ų10749.1 Ų49.147%0.46526%0.255SS..Hα-helixtrans-56.7-49172.5179.8-177.5171.1-174.70112A16 E17 I22 H23 E24A16-K20 WeakPolarHBondContact O-CB 3.39Å; A16-K20 PolarHBondContact O-N 2.93Å; E17-K20 PolarHBondContact O-N 2.94Å; K20-I22 PolarHBondContact O-N 2.81Å; K20-H23 CarbonylContact O-C 3.44Å; K20-H23 WeakPolarHBondContact O-CA 3.38Å; K20-H23 WeakPolarHBondContact O-CB 3.24Å; K20-H23 PolarHBondContact O-N 3.32Å; K20-E24 WeakPolarHBondContact CE-OE1 3.47Å; K20-E24 HydrophobicContact CG-CG 4.32Å; K20-E24 IonicContact NZ-OE1 3.64Å; K20-E24 WeakPolarHBondContact O-CG 3.42Å; K20-E24 PolarHBondContact O-N 2.85Å
21R87.9Confident81.1Confident33 Ų3348.6 Ų48.613%0.12525%0.254CS..Hα-helixtrans-60.2-32.8176.9-71.7171.5-171-166.11.3113E17 I18 E19 G25 I26 Y27 E42E17-R21 VanDerWaalsContact O-CG 3.27Å; E17-R21 WeakPolarHBondContact O-CG 3.32Å; E17-R21 PolarHBondContact O-N 3.38Å; E17-R21 IonicContact OE1-CZ 3.33Å; E17-R21 IonicContact OE1-NE 2.67Å; E17-R21 PolarHBondContact OE1-NE 2.89Å; E17-R21 IonicContact OE1-NH2 2.78Å; E17-R21 PolarHBondContact OE1-NH2 3.36Å; I18-R21 PolarHBondContact O-N 2.58Å; E19-R21 PolarHBondContact O-N 3.33Å; R21-G25 PolarHBondContact O-N 3.39Å; R21-I26 HydrophobicContact CB-CB 3.98Å; R21-I26 HydrophobicContact CB-CD1 4.37Å; R21-I26 HydrophobicContact CB-CG2 4.25Å; R21-I26 HydrophobicContact CG-CB 4.36Å; R21-I26 HydrophobicContact CG-CD1 3.99Å; R21-I26 HydrophobicContact CG-CG2 4.35Å; R21-I26 WeakPolarHBondContact O-CA 3.33Å; R21-I26 WeakPolarHBondContact O-CB 2.87Å; R21-I26 PolarHBondContact O-N 3.03Å; R21-Y27 HydrophobicContact CB-CD2 3.56Å; R21-Y27 HydrophobicContact CB-CE2 3.79Å; R21-Y27 HydrophobicContact CB-CG 4.23Å; R21-Y27 VanDerWaalsContact CD-CE2 3.45Å; R21-Y27 HydrophobicContact CG-CE2 4.29Å; R21-Y27 PolarHBondContact NH1-OH 2.95Å; R21-Y27 PolarHBondContact O-N 2.67Å; R21-E42 IonicContact CZ-OE1 3.9Å; R21-E42 IonicContact NH1-OE1 2.76Å; R21-E42 PolarHBondContact NH1-OE1 3.1Å; R21-E42 IonicContact NH1-OE2 2.66Å; R21-E42 IonicContact NH2-OE1 3.44Å; R21-E42 PolarHBondContact NH2-OE1 3.28Å
22I80.4Confident81.2Confident8 Ų851.5 Ų51.54%0.04127%0.266CS..Hα-helixtrans-69.9-43.3173.7-66.8163.7000110.4I18 E19 K20 G25 Y27 I62 L63 V73I18-I22 HydrophobicContact CG2-CD1 4.03Å; I18-I22 VanDerWaalsContact O-CG1 3.28Å; I18-I22 WeakPolarHBondContact O-CG1 3.32Å; I18-I22 PolarHBondContact O-N 2.99Å; E19-I22 WeakPolarHBondContact O-CB 3.34Å; E19-I22 PolarHBondContact O-N 3.24Å; E19-I22 VanDerWaalsContact O-N 3.15Å; K20-I22 PolarHBondContact O-N 2.81Å; I22-G25 PolarHBondContact O-N 3.16Å; I22-Y27 WeakPolarHBondContact CA-O 3.42Å; I22-Y27 HydrophobicContact CG1-CD2 4.24Å; I22-Y27 HydrophobicContact CG1-CG 4.49Å; I22-I62 HydrophobicContact CD1-CG2 3.49Å; I22-I62 VanDerWaalsContact CD1-CG2 3.49Å; I22-L63 HydrophobicContact CD1-CD2 3.81Å; I22-V73 HydrophobicContact CD1-CG1 4.33Å; I22-V73 HydrophobicContact CD1-CG2 4.01Å; I22-V73 HydrophobicContact CG1-CG1 4.38Å; I22-V73 HydrophobicContact CG1-CG2 3.91Å; I22-V73 HydrophobicContact CG2-CG1 3.94Å
23H65.1Low81.9Confident75 Ų7547.8 Ų47.835%0.34725%0.247SC..Hα-helixtrans-63.6-40.2178-167.393.9000112.5E19 K20 G25 R83 S84E19-H23 PolarHBondContact O-N 3.26Å; K20-H23 CarbonylContact O-C 3.44Å; K20-H23 WeakPolarHBondContact O-CA 3.38Å; K20-H23 WeakPolarHBondContact O-CB 3.24Å; K20-H23 PolarHBondContact O-N 3.32Å; H23-G25 PolarHBondContact O-N 3.15Å; H23-R83 PolarHBondContact CE1-O 2.85Å; H23-S84 PolarHBondContact CE1-OG 3.16Å; H23-S84 VanDerWaalsContact NE2-CB 3.34Å; H23-S84 WeakPolarHBondContact NE2-CB 3.36Å; H23-S84 PolarHBondContact NE2-OG 3.15Å
24E70.3Confident82.4Confident105 Ų10545.8 Ų45.849%0.49124%0.241SC..THydrogen-bonded Turntrans-76.3-1.8176.9-67.9176.716400113.4K20 I26K20-E24 WeakPolarHBondContact CE-OE1 3.47Å; K20-E24 HydrophobicContact CG-CG 4.32Å; K20-E24 IonicContact NZ-OE1 3.64Å; K20-E24 WeakPolarHBondContact O-CG 3.42Å; K20-E24 PolarHBondContact O-N 2.85Å; E24-I26 VanDerWaalsContact C-N 3.26Å; E24-I26 HydrophobicContact CB-CD1 4.3Å; E24-I26 HydrophobicContact CB-CG1 4.29Å; E24-I26 PolarHBondContact O-N 3.43Å; E24-I26 WeakPolarHBondContact OE2-CD1 3.5Å
25G68.2Low82.4Confident18 Ų1848.1 Ų48.119%0.18626%0.258CS..THydrogen-bonded Turntrans72.213.7-178.700000114.7R21 I22 H23 Y27 V28R21-G25 PolarHBondContact O-N 3.39Å; I22-G25 PolarHBondContact O-N 3.16Å; H23-G25 PolarHBondContact O-N 3.15Å; G25-Y27 VanDerWaalsContact C-N 3.34Å; G25-V28 WeakPolarHBondContact O-CG1 3.29Å
26I79.8Confident82.5Confident91 Ų9149.6 Ų49.647%0.46726%0.264SS..SBendtrans-67.7-39.5170-62.6169.4000109.9R21 E24 Q31R21-I26 HydrophobicContact CB-CB 3.98Å; R21-I26 HydrophobicContact CB-CD1 4.37Å; R21-I26 HydrophobicContact CB-CG2 4.25Å; R21-I26 HydrophobicContact CG-CB 4.36Å; R21-I26 HydrophobicContact CG-CD1 3.99Å; R21-I26 HydrophobicContact CG-CG2 4.35Å; R21-I26 WeakPolarHBondContact O-CA 3.33Å; R21-I26 WeakPolarHBondContact O-CB 2.87Å; R21-I26 PolarHBondContact O-N 3.03Å; E24-I26 VanDerWaalsContact C-N 3.26Å; E24-I26 HydrophobicContact CB-CD1 4.3Å; E24-I26 HydrophobicContact CB-CG1 4.29Å; E24-I26 PolarHBondContact O-N 3.43Å; E24-I26 WeakPolarHBondContact OE2-CD1 3.5Å; I26-Q31 PolarHBondContact O-OE1 3.42Å
27Y85.8Confident83.1Confident14 Ų1454 Ų546%0.05527%0.27CS..SBendtrans-112.3103.9169.8-61.8-34.7000110.3I18 R21 I22 G25 Q31 L33 P34I18-Y27 HydrophobicContact CG2-CD2 4.26Å; I18-Y27 HydrophobicContact CG2-CE2 4.35Å; R21-Y27 HydrophobicContact CB-CD2 3.56Å; R21-Y27 HydrophobicContact CB-CE2 3.79Å; R21-Y27 HydrophobicContact CB-CG 4.23Å; R21-Y27 VanDerWaalsContact CD-CE2 3.45Å; R21-Y27 HydrophobicContact CG-CE2 4.29Å; R21-Y27 PolarHBondContact NH1-OH 2.95Å; R21-Y27 PolarHBondContact O-N 2.67Å; I22-Y27 WeakPolarHBondContact CA-O 3.42Å; I22-Y27 HydrophobicContact CG1-CD2 4.24Å; I22-Y27 HydrophobicContact CG1-CG 4.49Å; G25-Y27 VanDerWaalsContact C-N 3.34Å; Y27-Q31 VanDerWaalsContact CA-OE1 3.3Å; Y27-L33 HydrophobicContact CD1-CD2 4.02Å; Y27-L33 HydrophobicContact CD2-CD2 3.41Å; Y27-L33 VanDerWaalsContact CD2-CD2 3.41Å; Y27-L33 HydrophobicContact CE1-CD2 4.33Å; Y27-L33 HydrophobicContact CE2-CD2 3.76Å; Y27-L33 HydrophobicContact CG-CD2 3.56Å; Y27-P34 HydrophobicContact CE1-CG 4.34Å
28V77Confident83.3Confident30 Ų3054.8 Ų54.818%0.18228%0.276CS..  trans-85.2167-174.2-58.10000112.8G25 S30 Q31 V73G25-V28 WeakPolarHBondContact O-CG1 3.29Å; V28-S30 PolarHBondContact O-N 3.39Å; V28-Q31 HydrophobicContact CG2-CB 3.89Å; V28-Q31 WeakPolarHBondContact O-CB 3.26Å; V28-Q31 PolarHBondContact O-N 3.37Å; V28-V73 VanDerWaalsContact O-CB 3.29Å; V28-V73 WeakPolarHBondContact O-CB 3.48Å; V28-V73 WeakPolarHBondContact O-CG2 3.46Å
29S73.3Confident83.4Confident28 Ų2854.8 Ų54.820%0.19628%0.276CS..THydrogen-bonded Turntrans-49.6136.7176.1-177.30000112Q31S29-Q31 PolarHBondContact O-N 2.82Å
30S78.9Confident83.9Confident60 Ų6053 Ų5342%0.4227%0.269SS..THydrogen-bonded Turntrans62.40.5-178-49.10000116V28 Y72 V73 S75V28-S30 PolarHBondContact O-N 3.39Å; S30-Y72 WeakPolarHBondContact O-CD1 3.48Å; S30-V73 VanDerWaalsContact CA-O 3.32Å; S30-V73 WeakPolarHBondContact CA-O 3.27Å; S30-V73 PolarHBondContact N-O 2.99Å; S30-V73 VanDerWaalsContact N-O 3.15Å; S30-S75 WeakPolarHBondContact OG-CB 3.47Å
31Q83.8Confident84.6Confident66 Ų6655.5 Ų55.531%0.30828%0.28SS..PPolyproline II helixtrans-66.1138.7176.3-175.9175.7-14.600110.4I26 Y27 V28 S29 Y72 V73I26-Q31 PolarHBondContact O-OE1 3.42Å; Y27-Q31 VanDerWaalsContact CA-OE1 3.3Å; V28-Q31 HydrophobicContact CG2-CB 3.89Å; V28-Q31 WeakPolarHBondContact O-CB 3.26Å; V28-Q31 PolarHBondContact O-N 3.37Å; S29-Q31 PolarHBondContact O-N 2.82Å; Q31-Y72 CarbonylContact O-C 3.6Å; Q31-Y72 VanDerWaalsContact O-CA 3.26Å; Q31-Y72 WeakPolarHBondContact O-CA 3.49Å; Q31-V73 PolarHBondContact O-N 3.01Å
32K90.8Very high84.9Confident109 Ų10958.6 Ų58.647%0.47430%0.296SS..BIsolated β-bridgetrans-75.1126.1169.1-171.5-179.7163.9169.90109.1K69 Y72K32-K69 WeakPolarHBondContact CE-O 3.2Å; K32-K69 PolarHBondContact NZ-O 3.36Å; K32-Y72 HydrophobicContact CB-CD1 3.82Å; K32-Y72 HydrophobicContact CB-CE1 3.51Å; K32-Y72 HydrophobicContact CD-CE1 4.33Å; K32-Y72 HydrophobicContact CG-CD1 4.34Å; K32-Y72 HydrophobicContact CG-CE1 3.9Å; K32-Y72 HydrophobicContact CG-CE2 4.25Å
33L92.5Very high85.4Confident4 Ų459.6 Ų59.62%0.02130%0.3CS..PPolyproline II helixtrans-66.9156.3171.3-66.2-173.6000111.3I18 Y27 L63 S71 V73I18-L33 HydrophobicContact CG2-CD1 4Å; I18-L33 HydrophobicContact CG2-CD2 4.48Å; Y27-L33 HydrophobicContact CD1-CD2 4.02Å; Y27-L33 HydrophobicContact CD2-CD2 3.41Å; Y27-L33 VanDerWaalsContact CD2-CD2 3.41Å; Y27-L33 HydrophobicContact CE1-CD2 4.33Å; Y27-L33 HydrophobicContact CE2-CD2 3.76Å; Y27-L33 HydrophobicContact CG-CD2 3.56Å; L33-L63 HydrophobicContact CD1-CD1 3.48Å; L33-L63 VanDerWaalsContact CD1-CD1 3.48Å; L33-L63 HydrophobicContact CD1-CD2 3.77Å; L33-L63 HydrophobicContact CD1-CG 4.29Å; L33-L63 HydrophobicContact CG-CD2 4.28Å; L33-S71 PolarHBondContact N-O 2.74Å; L33-V73 HydrophobicContact CD2-CG2 4.22Å
34P92.8Very high86.7Confident46 Ų4662.4 Ų62.430%0.29932%0.318SS..PPolyproline II helixtrans-51.8155.9166.8-21.631.7000111.6Y27 D38 L39Y27-P34 HydrophobicContact CE1-CG 4.34Å; P34-D38 HydrophobicContact CB-CB 4.04Å; P34-L39 HydrophobicContact CB-CD2 4Å; P34-L39 HydrophobicContact CB-CG 4.02Å; P34-L39 HydrophobicContact CG-CD2 4.06Å; P34-L39 WeakPolarHBondContact O-CD1 3.43Å
35S91.8Very high87.7Confident51 Ų5158.7 Ų58.736%0.35730%0.303SS..PPolyproline II helixtrans-63.8158.3-174.477.50000111.7Y37 D38 L39S35-Y37 PolarHBondContact O-N 3.01Å; S35-Y37 PolarHBondContact OG-N 3.03Å; S35-D38 VanDerWaalsContact CB-OD2 3.28Å; S35-D38 WeakPolarHBondContact CB-OD2 3.48Å; S35-D38 PolarHBondContact N-OD2 2.92Å; S35-D38 PolarHBondContact O-N 3.25Å; S35-D38 PolarHBondContact OG-N 2.89Å; S35-D38 VanDerWaalsContact OG-N 3.11Å; S35-D38 PolarHBondContact OG-OD2 3.02Å; S35-L39 PolarHBondContact O-N 3.44Å
36E91.9Very high88.8Confident33 Ų3360.7 Ų60.715%0.15431%0.314CS..Hα-helixtrans-54.1-28.1173.8-70.4-178.3178.800111.9A40 R47 I50 R51 I54 K65E36-A40 WeakPolarHBondContact O-CB 3.46Å; E36-A40 PolarHBondContact O-N 2.95Å; E36-A40 VanDerWaalsContact O-N 3.1Å; E36-R47 IonicContact OE2-CZ 2.95Å; E36-R47 IonicContact OE2-NE 2.77Å; E36-R47 IonicContact OE2-NH2 3.16Å; E36-R47 PolarHBondContact OE2-NH2 2.93Å; E36-I50 HydrophobicContact CB-CG2 4.42Å; E36-I50 HydrophobicContact CG-CG2 4.44Å; E36-R51 IonicContact OE1-NE 3.29Å; E36-R51 PolarHBondContact OE1-NE 3.4Å; E36-R51 IonicContact OE1-NH2 3.82Å; E36-R51 IonicContact OE2-CZ 3.65Å; E36-R51 IonicContact OE2-NE 3.63Å; E36-R51 IonicContact OE2-NH2 2.8Å; E36-R51 PolarHBondContact OE2-NH2 3.34Å; E36-I54 HydrophobicContact CG-CD1 4.27Å; E36-K65 IonicContact OE1-NZ 3.4Å; E36-K65 PolarHBondContact OE1-NZ 2.92Å
37Y91.1Very high89.4Confident147 Ų14762.4 Ų62.458%0.57632%0.315SS*.Hα-helixtrans-74.6-45.4176.1175.9-93.8000111.9S35 A40 K41S35-Y37 PolarHBondContact O-N 3.01Å; S35-Y37 PolarHBondContact OG-N 3.03Å; Y37-A40 PolarHBondContact O-N 3.23Å; Y37-K41 WeakPolarHBondContact O-CB 3.06Å; Y37-K41 PolarHBondContact O-N 3.36Å
38D93.4Very high89.6Confident77 Ų7767.1 Ų67.141%0.41234%0.341SS..Hα-helixtrans-66.5-45.1180-56.6-44.7000110.7P34 S35 A40 K41 E42P34-D38 HydrophobicContact CB-CB 4.04Å; S35-D38 VanDerWaalsContact CB-OD2 3.28Å; S35-D38 WeakPolarHBondContact CB-OD2 3.48Å; S35-D38 PolarHBondContact N-OD2 2.92Å; S35-D38 PolarHBondContact O-N 3.25Å; S35-D38 PolarHBondContact OG-N 2.89Å; S35-D38 VanDerWaalsContact OG-N 3.11Å; S35-D38 PolarHBondContact OG-OD2 3.02Å; D38-A40 VanDerWaalsContact C-N 3.32Å; D38-A40 PolarHBondContact O-N 3.2Å; D38-K41 PolarHBondContact O-N 3.14Å; D38-E42 VanDerWaalsContact O-CB 3.28Å; D38-E42 WeakPolarHBondContact O-CB 3.08Å; D38-E42 PolarHBondContact O-N 3.1Å
39L94.6Very high90.2Very high0 Ų066.9 Ų66.90%034%0.339CS..Hα-helixtrans-62.2-40.4173.7-66.7173.4000111.1I18 P34 S35 K41 E42 F43 I50 I54I18-L39 HydrophobicContact CD1-CD1 4.32Å; P34-L39 HydrophobicContact CB-CD2 4Å; P34-L39 HydrophobicContact CB-CG 4.02Å; P34-L39 HydrophobicContact CG-CD2 4.06Å; P34-L39 WeakPolarHBondContact O-CD1 3.43Å; S35-L39 PolarHBondContact O-N 3.44Å; L39-K41 VanDerWaalsContact C-N 3.3Å; L39-K41 PolarHBondContact O-N 3.49Å; L39-E42 PolarHBondContact O-N 3.27Å; L39-F43 HydrophobicContact CB-CD2 4.34Å; L39-F43 HydrophobicContact CD2-CD2 4.36Å; L39-F43 HydrophobicContact CD2-CE2 3.97Å; L39-F43 WeakPolarHBondContact O-CB 3.39Å; L39-F43 VanDerWaalsContact O-CD2 3.3Å; L39-F43 WeakPolarHBondContact O-CD2 3.31Å; L39-F43 PolarHBondContact O-N 3.38Å; L39-I50 HydrophobicContact CB-CD1 3.89Å; L39-I50 HydrophobicContact CB-CG1 4.12Å; L39-I50 HydrophobicContact CB-CG2 3.86Å; L39-I50 HydrophobicContact CD1-CG2 3.94Å; L39-I54 HydrophobicContact CD1-CD1 4.39Å
40A93.5Very high91.2Very high10 Ų1065.6 Ų65.68%0.08333%0.33CS..Hα-helixtrans-63.4-39.4178.100000111.8E36 Y37 D38 D44 C45 R47 I50E36-A40 WeakPolarHBondContact O-CB 3.46Å; E36-A40 PolarHBondContact O-N 2.95Å; E36-A40 VanDerWaalsContact O-N 3.1Å; Y37-A40 PolarHBondContact O-N 3.23Å; D38-A40 VanDerWaalsContact C-N 3.32Å; D38-A40 PolarHBondContact O-N 3.2Å; A40-D44 WeakPolarHBondContact O-CA 3.37Å; A40-D44 PolarHBondContact O-N 3.07Å; A40-C45 WeakPolarHBondContact CB-O 3.17Å; A40-C45 PolarHBondContact O-N 2.87Å; A40-R47 HydrophobicContact CB-CG 3.77Å; A40-I50 HydrophobicContact CB-CG1 3.83Å
41K93.5Very high91.8Very high160 Ų16066.4 Ų66.470%0.69632%0.324SS*.Hα-helixtrans-68.6-43.6175.1-173.4-177.3178.9-172.90111.7Y37 D38 L39 D44Y37-K41 WeakPolarHBondContact O-CB 3.06Å; Y37-K41 PolarHBondContact O-N 3.36Å; D38-K41 PolarHBondContact O-N 3.14Å; L39-K41 VanDerWaalsContact C-N 3.3Å; L39-K41 PolarHBondContact O-N 3.49Å; K41-D44 PolarHBondContact O-N 2.85Å
42E93.7Very high92.1Very high99 Ų9969.3 Ų69.346%0.46334%0.335SS..Hα-helixtrans-65.2-49.5-179.4-172.8-167.1152.900111.9R21 D38 L39 D44R21-E42 IonicContact CZ-OE1 3.9Å; R21-E42 IonicContact NH1-OE1 2.76Å; R21-E42 PolarHBondContact NH1-OE1 3.1Å; R21-E42 IonicContact NH1-OE2 2.66Å; R21-E42 IonicContact NH2-OE1 3.44Å; R21-E42 PolarHBondContact NH2-OE1 3.28Å; D38-E42 VanDerWaalsContact O-CB 3.28Å; D38-E42 WeakPolarHBondContact O-CB 3.08Å; D38-E42 PolarHBondContact O-N 3.1Å; L39-E42 PolarHBondContact O-N 3.27Å; E42-D44 PolarHBondContact O-N 3.33Å
43F92.5Very high92.2Very high28 Ų2864.1 Ų64.112%0.12331%0.313CS..THydrogen-bonded Turntrans-80.90.1-179.5-76.6-82.3000113.6K10 V14 E17 I18 L39 I50K10-F43 WeakPolarHBondContact CE-O 3.47Å; K10-F43 PolarHBondContact NZ-O 3.45Å; V14-F43 HydrophobicContact CB-CD1 4.41Å; V14-F43 HydrophobicContact CG1-CD2 4.22Å; V14-F43 HydrophobicContact CG1-CE2 4.26Å; V14-F43 HydrophobicContact CG1-CG 4.37Å; V14-F43 HydrophobicContact CG1-CZ 4.42Å; V14-F43 HydrophobicContact CG2-CB 3.93Å; V14-F43 HydrophobicContact CG2-CD1 3.76Å; V14-F43 HydrophobicContact CG2-CD2 4.44Å; V14-F43 HydrophobicContact CG2-CE1 4.34Å; V14-F43 HydrophobicContact CG2-CG 3.79Å; E17-F43 HydrophobicContact CB-CE1 3.78Å; E17-F43 HydrophobicContact CB-CZ 4.01Å; E17-F43 HydrophobicContact CG-CE1 3.56Å; E17-F43 HydrophobicContact CG-CZ 3.62Å; I18-F43 HydrophobicContact CG1-CE2 4.4Å; I18-F43 HydrophobicContact CG1-CZ 4.32Å; L39-F43 HydrophobicContact CB-CD2 4.34Å; L39-F43 HydrophobicContact CD2-CD2 4.36Å; L39-F43 HydrophobicContact CD2-CE2 3.97Å; L39-F43 WeakPolarHBondContact O-CB 3.39Å; L39-F43 VanDerWaalsContact O-CD2 3.3Å; L39-F43 WeakPolarHBondContact O-CD2 3.31Å; L39-F43 PolarHBondContact O-N 3.38Å; F43-I50 HydrophobicContact CB-CD1 4.16Å; F43-I50 HydrophobicContact CD2-CD1 4.12Å; F43-I50 HydrophobicContact CG-CD1 4.39Å
44D91.4Very high92.2Very high135 Ų13564 Ų6472%0.72231%0.312SS*.THydrogen-bonded Turntrans47.262.4-174.2-172.335.7000112K10 A40 K41 E42K10-D44 WeakPolarHBondContact CE-O 3.39Å; A40-D44 WeakPolarHBondContact O-CA 3.37Å; A40-D44 PolarHBondContact O-N 3.07Å; K41-D44 PolarHBondContact O-N 2.85Å; E42-D44 PolarHBondContact O-N 3.33Å
45C91.7Very high92Very high26 Ų2665.6 Ų65.618%0.17632%0.318CS..SBendtrans-150.7171.2179.772.80000113.5K10 A40 T49 I50K10-C45 HydrophobicContact CD-CB 4.34Å; K10-C45 HydrophobicContact CG-CB 3.59Å; A40-C45 WeakPolarHBondContact CB-O 3.17Å; A40-C45 PolarHBondContact O-N 2.87Å; C45-T49 HydrophobicContact CB-CG2 4.12Å; C45-I50 WeakPolarHBondContact SG-CD1 3.28Å
46S91.7Very high91.7Very high60 Ų6065.7 Ų65.742%0.4232%0.315SS..  trans-67.2149.1176.784.40000111.5L48 T49 I50S46-L48 PolarHBondContact O-N 2.9Å; S46-L48 VanDerWaalsContact O-N 3.14Å; S46-L48 PolarHBondContact OG-N 3.43Å; S46-T49 WeakPolarHBondContact O-CA 3.3Å; S46-T49 WeakPolarHBondContact O-CB 3.34Å; S46-T49 PolarHBondContact O-N 3.26Å; S46-T49 PolarHBondContact OG-N 3.17Å; S46-T49 VanDerWaalsContact OG-N 3.1Å; S46-T49 PolarHBondContact OG-OG1 2.81Å; S46-I50 PolarHBondContact O-N 3.31Å
47R91.7Very high91.6Very high127 Ų12764.1 Ų64.148%0.47931%0.308SS..Hα-helixtrans-58-27.2170.7-68.7-179.157.5-154.1-6113.4E36 A40 T49 R51E36-R47 IonicContact OE2-CZ 2.95Å; E36-R47 IonicContact OE2-NE 2.77Å; E36-R47 IonicContact OE2-NH2 3.16Å; E36-R47 PolarHBondContact OE2-NH2 2.93Å; A40-R47 HydrophobicContact CB-CG 3.77Å; R47-T49 VanDerWaalsContact C-N 3.3Å; R47-R51 WeakPolarHBondContact O-CB 3.49Å; R47-R51 PolarHBondContact O-N 2.63Å
48L89.3Confident91.2Very high114 Ų11459.6 Ų59.660%0.59729%0.293SS*.Hα-helixtrans-66.5-35.8173.9-70170.6000111.4S46 R51 K52S46-L48 PolarHBondContact O-N 2.9Å; S46-L48 VanDerWaalsContact O-N 3.14Å; S46-L48 PolarHBondContact OG-N 3.43Å; L48-R51 PolarHBondContact O-N 3.01Å; L48-K52 WeakPolarHBondContact O-CG 3.32Å; L48-K52 PolarHBondContact O-N 2.93Å
49T90.1Very high90Very high25 Ų2559 Ų5915%0.15330%0.304CS..Hα-helixtrans-65.4-48.9174.9-53.10000110.9K10 F11 C45 S46 R47 R51 K52 A53K10-T49 VanDerWaalsContact C-CG2 3.43Å; K10-T49 HydrophobicContact CB-CG2 3.64Å; K10-T49 HydrophobicContact CG-CG2 3.77Å; F11-T49 HydrophobicContact CB-CG2 3.77Å; F11-T49 VanDerWaalsContact CB-O 3.31Å; F11-T49 WeakPolarHBondContact CB-O 3.34Å; C45-T49 HydrophobicContact CB-CG2 4.12Å; S46-T49 WeakPolarHBondContact O-CA 3.3Å; S46-T49 WeakPolarHBondContact O-CB 3.34Å; S46-T49 PolarHBondContact O-N 3.26Å; S46-T49 PolarHBondContact OG-N 3.17Å; S46-T49 VanDerWaalsContact OG-N 3.1Å; S46-T49 PolarHBondContact OG-OG1 2.81Å; R47-T49 VanDerWaalsContact C-N 3.3Å; T49-R51 VanDerWaalsContact C-N 3.28Å; T49-R51 PolarHBondContact O-N 2.89Å; T49-K52 PolarHBondContact O-N 2.7Å; T49-A53 PolarHBondContact O-N 2.93Å
50I93.9Very high89.1Confident0 Ų063.5 Ų63.50%032%0.324CS..Hα-helixtrans-58.1-42.9174.6-61.2-55.7000111.1V14 E36 L39 A40 F43 C45 S46 K52 A53 I54V14-I50 HydrophobicContact CB-CD1 4.46Å; V14-I50 HydrophobicContact CG1-CD1 3.62Å; V14-I50 HydrophobicContact CG2-CD1 4Å; E36-I50 HydrophobicContact CB-CG2 4.42Å; E36-I50 HydrophobicContact CG-CG2 4.44Å; L39-I50 HydrophobicContact CB-CD1 3.89Å; L39-I50 HydrophobicContact CB-CG1 4.12Å; L39-I50 HydrophobicContact CB-CG2 3.86Å; L39-I50 HydrophobicContact CD1-CG2 3.94Å; A40-I50 HydrophobicContact CB-CG1 3.83Å; F43-I50 HydrophobicContact CB-CD1 4.16Å; F43-I50 HydrophobicContact CD2-CD1 4.12Å; F43-I50 HydrophobicContact CG-CD1 4.39Å; C45-I50 WeakPolarHBondContact SG-CD1 3.28Å; S46-I50 PolarHBondContact O-N 3.31Å; I50-K52 PolarHBondContact O-N 3.23Å; I50-A53 WeakPolarHBondContact O-CB 3.44Å; I50-A53 PolarHBondContact O-N 3.34Å; I50-I54 HydrophobicContact CG2-CD1 3.75Å; I50-I54 HydrophobicContact CG2-CG1 4.32Å; I50-I54 WeakPolarHBondContact O-CG1 3.45Å; I50-I54 PolarHBondContact O-N 2.92Å
51R92.3Very high88.2Confident78 Ų7868.6 Ų68.629%0.29435%0.35SS..Hα-helixtrans-61.8-45179.1-170.7173.9-59135.69.2112.1E36 R47 L48 T49 A53 I54 D55E36-R51 IonicContact OE1-NE 3.29Å; E36-R51 PolarHBondContact OE1-NE 3.4Å; E36-R51 IonicContact OE1-NH2 3.82Å; E36-R51 IonicContact OE2-CZ 3.65Å; E36-R51 IonicContact OE2-NE 3.63Å; E36-R51 IonicContact OE2-NH2 2.8Å; E36-R51 PolarHBondContact OE2-NH2 3.34Å; R47-R51 WeakPolarHBondContact O-CB 3.49Å; R47-R51 PolarHBondContact O-N 2.63Å; L48-R51 PolarHBondContact O-N 3.01Å; T49-R51 VanDerWaalsContact C-N 3.28Å; T49-R51 PolarHBondContact O-N 2.89Å; R51-A53 VanDerWaalsContact C-N 3.31Å; R51-A53 PolarHBondContact O-N 2.64Å; R51-I54 PolarHBondContact O-N 2.86Å; R51-D55 WeakPolarHBondContact O-CB 3.22Å; R51-D55 PolarHBondContact O-N 3.17Å
52K90.9Very high87.4Confident126 Ų12662.4 Ų62.455%0.54832%0.324SS..Hα-helixtrans-59.5-41.1174.9-76.9-175.4175.5-172.10112.4F11 L48 T49 I50 D55 D56F11-K52 HydrophobicContact CB-CB 3.76Å; F11-K52 HydrophobicContact CD1-CB 4.4Å; F11-K52 HydrophobicContact CD1-CD 4.22Å; F11-K52 HydrophobicContact CD2-CB 3.95Å; F11-K52 HydrophobicContact CG-CB 3.79Å; F11-K52 HydrophobicContact CG-CD 4.42Å; L48-K52 WeakPolarHBondContact O-CG 3.32Å; L48-K52 PolarHBondContact O-N 2.93Å; T49-K52 PolarHBondContact O-N 2.7Å; I50-K52 PolarHBondContact O-N 3.23Å; K52-D55 PolarHBondContact O-N 3.02Å; K52-D56 PolarHBondContact O-N 3.33Å
53A92.2Very high87.1Confident0 Ų057.8 Ų57.80%030%0.303CS..Hα-helixtrans-64.4-43.6176.300000112F11 V14 T49 I50 R51 D56 L57F11-A53 HydrophobicContact CB-CB 4.29Å; F11-A53 WeakPolarHBondContact O-CB 3.38Å; V14-A53 HydrophobicContact CB-CB 3.72Å; V14-A53 HydrophobicContact CG1-CB 3.5Å; T49-A53 PolarHBondContact O-N 2.93Å; I50-A53 WeakPolarHBondContact O-CB 3.44Å; I50-A53 PolarHBondContact O-N 3.34Å; R51-A53 VanDerWaalsContact C-N 3.31Å; R51-A53 PolarHBondContact O-N 2.64Å; A53-D56 PolarHBondContact O-N 3.25Å; A53-L57 WeakPolarHBondContact O-CG 3.32Å; A53-L57 PolarHBondContact O-N 2.85Å; A53-L57 VanDerWaalsContact O-N 3.1Å
54I92.7Very high86.8Confident2 Ų258.9 Ų58.91%0.0131%0.311CS..Hα-helixtrans-62.8-43.1174.8-72.3172.4000110.9E36 L39 I50 R51 D56 L57 I58 L63 S71E36-I54 HydrophobicContact CG-CD1 4.27Å; L39-I54 HydrophobicContact CD1-CD1 4.39Å; I50-I54 HydrophobicContact CG2-CD1 3.75Å; I50-I54 HydrophobicContact CG2-CG1 4.32Å; I50-I54 WeakPolarHBondContact O-CG1 3.45Å; I50-I54 PolarHBondContact O-N 2.92Å; R51-I54 PolarHBondContact O-N 2.86Å; I54-D56 VanDerWaalsContact C-N 3.34Å; I54-L57 PolarHBondContact O-N 3Å; I54-I58 HydrophobicContact CG2-CD1 3.73Å; I54-I58 HydrophobicContact CG2-CG1 4.38Å; I54-I58 VanDerWaalsContact O-CG1 3.24Å; I54-I58 WeakPolarHBondContact O-CG1 3.24Å; I54-I58 PolarHBondContact O-N 3.42Å; I54-L63 HydrophobicContact CG1-CD1 4.35Å; I54-L63 HydrophobicContact CG2-CD1 4.39Å; I54-S71 VanDerWaalsContact CG2-OG 3.32Å; I54-S71 WeakPolarHBondContact CG2-OG 3.1Å
55D88.4Confident86.5Confident79 Ų7956.9 Ų56.942%0.42230%0.296SS..Hα-helixtrans-66-36.1179.9-65.5-21.8000111.4R51 K52 I58 G59R51-D55 WeakPolarHBondContact O-CB 3.22Å; R51-D55 PolarHBondContact O-N 3.17Å; K52-D55 PolarHBondContact O-N 3.02Å; D55-I58 PolarHBondContact O-N 2.8Å; D55-G59 PolarHBondContact O-N 3.13Å
56D86.3Confident86.1Confident54 Ų5461.2 Ų61.229%0.28931%0.309SS..Hα-helixtrans-59.6-50170.8-174.974.9000111.6S15 K52 A53 I54 I58 G59 K60S15-D56 PolarHBondContact OG-OD2 3.32Å; K52-D56 PolarHBondContact O-N 3.33Å; A53-D56 PolarHBondContact O-N 3.25Å; I54-D56 VanDerWaalsContact C-N 3.34Å; D56-I58 VanDerWaalsContact C-N 3.3Å; D56-I58 PolarHBondContact O-N 2.92Å; D56-G59 CarbonylContact O-C 3.6Å; D56-G59 WeakPolarHBondContact O-CA 3.37Å; D56-G59 PolarHBondContact O-N 3.39Å; D56-K60 PolarHBondContact O-N 3.39Å; D56-K60 WeakPolarHBondContact OD2-CE 3.33Å; D56-K60 IonicContact OD2-NZ 2.99Å; D56-K60 PolarHBondContact OD2-NZ 3.22Å
57L88.7Confident85.3Confident0 Ų070.3 Ų70.30%033%0.334CS..Hα-helixtrans-66.8-28.9178.5-65.4171.6000113.3S15 I18 E19 A53 I54 K60 N61 I62 L63S15-L57 WeakPolarHBondContact OG-CD2 3.35Å; S15-L57 WeakPolarHBondContact OG-CG 3.44Å; I18-L57 HydrophobicContact CB-CD1 3.73Å; I18-L57 HydrophobicContact CD1-CD1 4.37Å; I18-L57 HydrophobicContact CG2-CD1 3.49Å; I18-L57 VanDerWaalsContact CG2-CD1 3.49Å; E19-L57 HydrophobicContact CB-CD2 3.92Å; E19-L57 HydrophobicContact CG-CD2 4.48Å; A53-L57 WeakPolarHBondContact O-CG 3.32Å; A53-L57 PolarHBondContact O-N 2.85Å; A53-L57 VanDerWaalsContact O-N 3.1Å; I54-L57 PolarHBondContact O-N 3Å; L57-K60 HydrophobicContact CD2-CD 4.32Å; L57-N61 PolarHBondContact O-N 2.83Å; L57-I62 HydrophobicContact CB-CB 4.41Å; L57-I62 HydrophobicContact CD2-CB 4.48Å; L57-I62 HydrophobicContact CD2-CD1 3.93Å; L57-I62 HydrophobicContact CD2-CG2 4.46Å; L57-I62 WeakPolarHBondContact O-CB 3.45Å; L57-I62 PolarHBondContact O-N 2.85Å; L57-L63 HydrophobicContact CB-CB 4.19Å; L57-L63 HydrophobicContact CB-CD1 3.7Å; L57-L63 HydrophobicContact CB-CG 3.73Å; L57-L63 HydrophobicContact CD1-CD1 3.6Å; L57-L63 HydrophobicContact CD1-CG 4.16Å; L57-L63 HydrophobicContact CG-CD1 4.32Å; L57-L63 PolarHBondContact O-N 2.87Å; L57-L63 VanDerWaalsContact O-N 3.16Å
58I82.7Confident84.7Confident52 Ų5268.5 Ų68.527%0.26736%0.355SS..Hα-helixtrans-68-43.5169.4-69163.5000109.8I54 D55 D56 K60 N61 L63 K65I54-I58 HydrophobicContact CG2-CD1 3.73Å; I54-I58 HydrophobicContact CG2-CG1 4.38Å; I54-I58 VanDerWaalsContact O-CG1 3.24Å; I54-I58 WeakPolarHBondContact O-CG1 3.24Å; I54-I58 PolarHBondContact O-N 3.42Å; D55-I58 PolarHBondContact O-N 2.8Å; D56-I58 VanDerWaalsContact C-N 3.3Å; D56-I58 PolarHBondContact O-N 2.92Å; I58-K60 PolarHBondContact O-N 2.66Å; I58-N61 PolarHBondContact O-N 2.85Å; I58-L63 WeakPolarHBondContact CA-O 3.48Å; I58-L63 HydrophobicContact CG1-CB 3.94Å; I58-L63 WeakPolarHBondContact CG1-O 3.45Å; I58-K65 HydrophobicContact CD1-CB 3.82Å; I58-K65 HydrophobicContact CD1-CD 4.5Å
59G69.3Low84.4Confident63 Ų6369.6 Ų69.665%0.64936%0.355SS*.Hα-helixtrans-58.2-35.1174.400000113.2D55 D56 N61D55-G59 PolarHBondContact O-N 3.13Å; D56-G59 CarbonylContact O-C 3.6Å; D56-G59 WeakPolarHBondContact O-CA 3.37Å; D56-G59 PolarHBondContact O-N 3.39Å; G59-N61 PolarHBondContact O-N 2.94Å
60K75Confident84.3Confident96 Ų9669.8 Ų69.842%0.41736%0.362SS..THydrogen-bonded Turntrans-781.6173.4-67.8170.3173.5169.10114.6E19 D56 L57 I58 I62E19-K60 IonicContact OE2-NZ 2.58Å; E19-K60 PolarHBondContact OE2-NZ 3.33Å; D56-K60 PolarHBondContact O-N 3.39Å; D56-K60 WeakPolarHBondContact OD2-CE 3.33Å; D56-K60 IonicContact OD2-NZ 2.99Å; D56-K60 PolarHBondContact OD2-NZ 3.22Å; L57-K60 HydrophobicContact CD2-CD 4.32Å; I58-K60 PolarHBondContact O-N 2.66Å; K60-I62 HydrophobicContact CB-CD1 3.73Å; K60-I62 HydrophobicContact CB-CG1 3.94Å; K60-I62 HydrophobicContact CD-CD1 3.96Å; K60-I62 PolarHBondContact O-N 3.42Å
61N74.3Confident84.2Confident116 Ų11670.3 Ų70.362%0.6237%0.365SS*.THydrogen-bonded Turntrans59.927.5-174.2-62.1-57.7000114.6L57 I58 G59 M74L57-N61 PolarHBondContact O-N 2.83Å; I58-N61 PolarHBondContact O-N 2.85Å; G59-N61 PolarHBondContact O-N 2.94Å; N61-M74 HydrophobicContact CB-CE 3.81Å; N61-M74 VanDerWaalsContact O-CE 3.26Å; N61-M74 WeakPolarHBondContact O-CE 3.47Å; N61-M74 WeakPolarHBondContact O-CG 3.31Å
62I76Confident84Confident30 Ų3068.2 Ų68.215%0.15436%0.358CS..SBendtrans-94-39.1179-63.7169.9000111.1E19 I22 L57 K60 M74E19-I62 VanDerWaalsContact CD-CD1 3.5Å; E19-I62 HydrophobicContact CG-CD1 3.96Å; E19-I62 WeakPolarHBondContact OE1-CD1 3.47Å; I22-I62 HydrophobicContact CD1-CG2 3.49Å; I22-I62 VanDerWaalsContact CD1-CG2 3.49Å; L57-I62 HydrophobicContact CB-CB 4.41Å; L57-I62 HydrophobicContact CD2-CB 4.48Å; L57-I62 HydrophobicContact CD2-CD1 3.93Å; L57-I62 HydrophobicContact CD2-CG2 4.46Å; L57-I62 WeakPolarHBondContact O-CB 3.45Å; L57-I62 PolarHBondContact O-N 2.85Å; K60-I62 HydrophobicContact CB-CD1 3.73Å; K60-I62 HydrophobicContact CB-CG1 3.94Å; K60-I62 HydrophobicContact CD-CD1 3.96Å; K60-I62 PolarHBondContact O-N 3.42Å; I62-M74 WeakPolarHBondContact O-CB 3.45Å; I62-M74 PolarHBondContact O-N 3.44Å
63L88.2Confident83.5Confident3 Ų362.5 Ų62.52%0.01633%0.333CS..EExtended strand (participates in β ladder)trans-114.9157.3177.7-63.8-175.8000111.5I18 I22 L33 I54 L57 I58 Y72 V73I18-L63 HydrophobicContact CG2-CD1 4.43Å; I22-L63 HydrophobicContact CD1-CD2 3.81Å; L33-L63 HydrophobicContact CD1-CD1 3.48Å; L33-L63 VanDerWaalsContact CD1-CD1 3.48Å; L33-L63 HydrophobicContact CD1-CD2 3.77Å; L33-L63 HydrophobicContact CD1-CG 4.29Å; L33-L63 HydrophobicContact CG-CD2 4.28Å; I54-L63 HydrophobicContact CG1-CD1 4.35Å; I54-L63 HydrophobicContact CG2-CD1 4.39Å; L57-L63 HydrophobicContact CB-CB 4.19Å; L57-L63 HydrophobicContact CB-CD1 3.7Å; L57-L63 HydrophobicContact CB-CG 3.73Å; L57-L63 HydrophobicContact CD1-CD1 3.6Å; L57-L63 HydrophobicContact CD1-CG 4.16Å; L57-L63 HydrophobicContact CG-CD1 4.32Å; L57-L63 PolarHBondContact O-N 2.87Å; L57-L63 VanDerWaalsContact O-N 3.16Å; I58-L63 WeakPolarHBondContact CA-O 3.48Å; I58-L63 HydrophobicContact CG1-CB 3.94Å; I58-L63 WeakPolarHBondContact CG1-O 3.45Å; L63-Y72 CarbonylContact C-O 3.49Å; L63-Y72 VanDerWaalsContact CA-O 3.32Å; L63-Y72 WeakPolarHBondContact CA-O 3.33Å; L63-V73 HydrophobicContact CD2-CB 4.45Å; L63-V73 HydrophobicContact CD2-CG2 4.14Å
64V85.7Confident82.8Confident50 Ų5065.6 Ų65.630%0.30335%0.348SS..EExtended strand (participates in β ladder)trans-130.4134.4169.763.90000110.2Y72 M74V64-Y72 PolarHBondContact N-O 3.1Å; V64-Y72 PolarHBondContact O-N 3.32Å; V64-M74 HydrophobicContact CB-CG 4.04Å; V64-M74 HydrophobicContact CB-SD 3.99Å; V64-M74 HydrophobicContact CG1-CG 4.4Å
65K84.9Confident81.4Confident93 Ų9368.8 Ų68.840%0.40437%0.371SS..EExtended strand (participates in β ladder)trans-92.7122.8175.9-158.5167.4-166.8162.10110.2E36 I58E36-K65 IonicContact OE1-NZ 3.4Å; E36-K65 PolarHBondContact OE1-NZ 2.92Å; I58-K65 HydrophobicContact CD1-CB 3.82Å; I58-K65 HydrophobicContact CD1-CD 4.5Å
66R83Confident80.2Confident118 Ų11867.8 Ų67.845%0.44536%0.364SS..EExtended strand (participates in β ladder)trans-101.2118.5172.5-64.7-174.5-179.8179.7-1.5109.2G68 K69 G70 Y72R66-G68 PolarHBondContact O-N 2.98Å; R66-K69 HydrophobicContact CB-CB 4.02Å; R66-K69 PolarHBondContact O-N 2.91Å; R66-G70 PolarHBondContact N-O 2.87Å; R66-G70 PolarHBondContact O-N 3.46Å; R66-Y72 HydrophobicContact CB-CD2 4.07Å; R66-Y72 HydrophobicContact CB-CE2 3.88Å; R66-Y72 HydrophobicContact CG-CD2 3.79Å; R66-Y72 HydrophobicContact CG-CE2 3.97Å
67R76.9Confident79Confident250 Ų25071 Ų7194%0.94339%0.388SS*.THydrogen-bonded Turntrans-51.2123.3-176-170.7177.8-179.8-177.90.1111K69R67-K69 PolarHBondContact O-N 3.03Å; R67-K69 VanDerWaalsContact O-N 3.14Å
68G78.8Confident78.3Confident89 Ų8974.9 Ų74.992%0.91841%0.405SS*.THydrogen-bonded Turntrans72.1-7.2-179.600000116.2R66R66-G68 PolarHBondContact O-N 2.98Å
69K82.1Confident77.9Confident138 Ų13872.9 Ų72.960%0.640%0.395SS*.THydrogen-bonded Turntrans-108.4-24.5-175.6-64.3-171.6178.6-175.60113.9K32 R66 R67 Y72K32-K69 WeakPolarHBondContact CE-O 3.2Å; K32-K69 PolarHBondContact NZ-O 3.36Å; R66-K69 HydrophobicContact CB-CB 4.02Å; R66-K69 PolarHBondContact O-N 2.91Å; R67-K69 PolarHBondContact O-N 3.03Å; R67-K69 VanDerWaalsContact O-N 3.14Å; K69-Y72 HydrophobicContact CB-CE2 4.12Å
70G89.1Confident78Confident29 Ų2971.6 Ų71.630%0.29937%0.372SS..EExtended strand (participates in β ladder)trans119.6-166.117800000113.1R66R66-G70 PolarHBondContact N-O 2.87Å; R66-G70 PolarHBondContact O-N 3.46Å
71S91.8Very high77.8Confident10 Ų1068 Ų687%0.0736%0.358CS..EExtended strand (participates in β ladder)trans-101.5138.9176.6-58.20000110.3L33 I54L33-S71 PolarHBondContact N-O 2.74Å; I54-S71 VanDerWaalsContact CG2-OG 3.32Å; I54-S71 WeakPolarHBondContact CG2-OG 3.1Å
72Y86.2Confident77.3Confident34 Ų3464.5 Ų64.513%0.13335%0.349CS..EExtended strand (participates in β ladder)trans-126.7146.4-176.7-67.2-102.1000109.4S30 Q31 K32 L63 V64 R66 K69 M74S30-Y72 WeakPolarHBondContact O-CD1 3.48Å; Q31-Y72 CarbonylContact O-C 3.6Å; Q31-Y72 VanDerWaalsContact O-CA 3.26Å; Q31-Y72 WeakPolarHBondContact O-CA 3.49Å; K32-Y72 HydrophobicContact CB-CD1 3.82Å; K32-Y72 HydrophobicContact CB-CE1 3.51Å; K32-Y72 HydrophobicContact CD-CE1 4.33Å; K32-Y72 HydrophobicContact CG-CD1 4.34Å; K32-Y72 HydrophobicContact CG-CE1 3.9Å; K32-Y72 HydrophobicContact CG-CE2 4.25Å; L63-Y72 CarbonylContact C-O 3.49Å; L63-Y72 VanDerWaalsContact CA-O 3.32Å; L63-Y72 WeakPolarHBondContact CA-O 3.33Å; V64-Y72 PolarHBondContact N-O 3.1Å; V64-Y72 PolarHBondContact O-N 3.32Å; R66-Y72 HydrophobicContact CB-CD2 4.07Å; R66-Y72 HydrophobicContact CB-CE2 3.88Å; R66-Y72 HydrophobicContact CG-CD2 3.79Å; R66-Y72 HydrophobicContact CG-CE2 3.97Å; K69-Y72 HydrophobicContact CB-CE2 4.12Å; Y72-M74 PolarHBondContact O-N 2.67Å
73V82.3Confident76.5Confident7 Ų767.2 Ų67.24%0.04236%0.358CS..EExtended strand (participates in β ladder)trans-61.5129.6165.6-175.60000108.1I22 V28 S30 Q31 L33 L63 S75I22-V73 HydrophobicContact CD1-CG1 4.33Å; I22-V73 HydrophobicContact CD1-CG2 4.01Å; I22-V73 HydrophobicContact CG1-CG1 4.38Å; I22-V73 HydrophobicContact CG1-CG2 3.91Å; I22-V73 HydrophobicContact CG2-CG1 3.94Å; V28-V73 VanDerWaalsContact O-CB 3.29Å; V28-V73 WeakPolarHBondContact O-CB 3.48Å; V28-V73 WeakPolarHBondContact O-CG2 3.46Å; S30-V73 VanDerWaalsContact CA-O 3.32Å; S30-V73 WeakPolarHBondContact CA-O 3.27Å; S30-V73 PolarHBondContact N-O 2.99Å; S30-V73 VanDerWaalsContact N-O 3.15Å; Q31-V73 PolarHBondContact O-N 3.01Å; L33-V73 HydrophobicContact CD2-CG2 4.22Å; L63-V73 HydrophobicContact CD2-CB 4.45Å; L63-V73 HydrophobicContact CD2-CG2 4.14Å; V73-S75 PolarHBondContact O-N 2.71Å
74M76.6Confident75.1Confident64 Ų6468.4 Ų68.432%0.31537%0.367SS..  trans-54.2131179.4-86.3-99.3-82.700110.1N61 I62 V64 Y72 Q76N61-M74 HydrophobicContact CB-CE 3.81Å; N61-M74 VanDerWaalsContact O-CE 3.26Å; N61-M74 WeakPolarHBondContact O-CE 3.47Å; N61-M74 WeakPolarHBondContact O-CG 3.31Å; I62-M74 WeakPolarHBondContact O-CB 3.45Å; I62-M74 PolarHBondContact O-N 3.44Å; V64-M74 HydrophobicContact CB-CG 4.04Å; V64-M74 HydrophobicContact CB-SD 3.99Å; V64-M74 HydrophobicContact CG1-CG 4.4Å; Y72-M74 PolarHBondContact O-N 2.67Å; M74-Q76 PolarHBondContact O-N 2.96Å
75S64.4Low74.3Confident69 Ų6968 Ų6848%0.48337%0.372SS..  trans-72.3112.1172.557.30000108.4S30 V73S30-S75 WeakPolarHBondContact OG-CB 3.47Å; V73-S75 PolarHBondContact O-N 2.71Å
76Q62.2Low74Confident59 Ų5966.8 Ų66.828%0.27637%0.37SS..  trans-82.2125.3165.7-66.5-161.9-13.700108.7M74 K78 Q80 Y96M74-Q76 PolarHBondContact O-N 2.96Å; Q76-K78 PolarHBondContact O-N 2.86Å; Q76-Q80 VanDerWaalsContact OE1-CG 3.23Å; Q76-Y96 HydrophobicContact CB-CE1 4.29Å
77P61Low73.9Confident122 Ų12264.5 Ų64.579%0.79236%0.364SS*.SBendtrans-69.4-21.5-175.327-33.9000112.7
78K73.7Confident74.2Confident80 Ų8052.9 Ų52.935%0.34832%0.322SS..SBendtrans-125.2148-179.7-61.1-171-173.9-1750110.3Q76 S229 D230 R231 V233Q76-K78 PolarHBondContact O-N 2.86Å; K78-S229 WeakPolarHBondContact CE-O 3.36Å; K78-S229 PolarHBondContact NZ-O 3.34Å; K78-D230 VanDerWaalsContact CE-O 3.24Å; K78-D230 WeakPolarHBondContact CE-O 3.38Å; K78-R231 CarbonylContact C-O 3.53Å; K78-R231 WeakPolarHBondContact CA-O 3.42Å; K78-R231 WeakPolarHBondContact CB-O 3.35Å; K78-V233 HydrophobicContact CB-CG1 4.26Å
79I74.7Confident74.5Confident11 Ų1149.6 Ų49.66%0.05628%0.283CS..EExtended strand (participates in β ladder)trans-69.1132.4166.3-60.5-173.1000108.3Y96 L138 M143 R231 Y232 V233I79-Y96 HydrophobicContact CB-CE2 4.32Å; I79-Y96 HydrophobicContact CG1-CD2 4.32Å; I79-Y96 HydrophobicContact CG1-CE2 4.5Å; I79-Y96 HydrophobicContact CG2-CD2 4.13Å; I79-Y96 HydrophobicContact CG2-CE2 3.71Å; I79-L138 HydrophobicContact CD1-CD1 4.14Å; I79-L138 HydrophobicContact CD1-CD2 3.72Å; I79-L138 HydrophobicContact CD1-CG 4.48Å; I79-M143 HydrophobicContact CD1-CE 3.68Å; I79-M143 HydrophobicContact CG1-CE 4.1Å; I79-R231 PolarHBondContact N-O 3.22Å; I79-Y232 HydrophobicContact CB-CD2 3.8Å; I79-Y232 HydrophobicContact CB-CE2 3.83Å; I79-Y232 HydrophobicContact CG2-CD2 3.97Å; I79-Y232 HydrophobicContact CG2-CE2 3.44Å; I79-Y232 VanDerWaalsContact CG2-CE2 3.44Å; I79-Y232 CarbonylContact O-C 3.49Å; I79-Y232 WeakPolarHBondContact O-CA 3.41Å; I79-V233 PolarHBondContact O-N 2.81Å
80Q71.6Confident74.6Confident36 Ų3645.2 Ų45.217%0.16827%0.267CS..EExtended strand (participates in β ladder)trans-99125.1173.9-50-168.5-23.700110.4Q76 R83 Y96 V233Q76-Q80 VanDerWaalsContact OE1-CG 3.23Å; Q80-R83 HydrophobicContact CB-CB 4.39Å; Q80-Y96 WeakPolarHBondContact CB-OH 3.33Å; Q80-Y96 PolarHBondContact N-OH 2.98Å; Q80-V233 WeakPolarHBondContact CA-O 3.01Å; Q80-V233 HydrophobicContact CB-CG1 4.08Å; Q80-V233 HydrophobicContact CG-CG1 3.59Å
81S71.2Confident74.3Confident20 Ų2047.3 Ų47.314%0.1427%0.27CS..EExtended strand (participates in β ladder)trans-74.4153.2162.6163.60000110.7R83 Y232 V233S81-R83 PolarHBondContact O-N 2.96Å; S81-Y232 VanDerWaalsContact CB-CE1 3.46Å; S81-V233 PolarHBondContact N-O 3.01Å
82G63.3Low73.8Confident42 Ų4247.2 Ų47.243%0.43327%0.269SS..SBendtrans76.6-4.2173.600000115.3S84 G85G82-S84 PolarHBondContact O-N 3.46Å; G82-S84 VanDerWaalsContact O-N 3.08Å; G82-G85 PolarHBondContact O-N 3.3Å; G82-G85 VanDerWaalsContact O-N 3.15Å
83R59.6Low73.6Confident88 Ų8845.6 Ų45.633%0.33226%0.263SS..THydrogen-bonded Turntrans-55.9-31.4-174.4-177.1174.8176.1-171.9-5.6113.8H23 Q80 S81H23-R83 PolarHBondContact CE1-O 2.85Å; Q80-R83 HydrophobicContact CB-CB 4.39Å; S81-R83 PolarHBondContact O-N 2.96Å
84S58.7Low73.5Confident28 Ų2852.9 Ų52.920%0.19629%0.294CS..THydrogen-bonded Turntrans-127.929.1-178.7-63.20000111.4H23 G82 Q87H23-S84 PolarHBondContact CE1-OG 3.16Å; H23-S84 VanDerWaalsContact NE2-CB 3.34Å; H23-S84 WeakPolarHBondContact NE2-CB 3.36Å; H23-S84 PolarHBondContact NE2-OG 3.15Å; G82-S84 PolarHBondContact O-N 3.46Å; G82-S84 VanDerWaalsContact O-N 3.08Å; S84-Q87 VanDerWaalsContact CB-NE2 3.33Å
85G67.9Low73.2Confident41 Ų4150.9 Ų50.942%0.42329%0.288SS..SBendtrans83.4-155.4-171.500000113.1G82 Q87G82-G85 PolarHBondContact O-N 3.3Å; G82-G85 VanDerWaalsContact O-N 3.15Å; G85-Q87 PolarHBondContact O-N 3.13Å
86L79.1Confident73.6Confident67 Ų6748.3 Ų48.335%0.35127%0.268SS..SBendtrans-74.3111.5178.3178.859.1000109.8F168 I177 T212L86-F168 HydrophobicContact CD1-CE2 4.18Å; L86-F168 HydrophobicContact CD1-CZ 4.12Å; L86-F168 HydrophobicContact CG-CE2 4.05Å; L86-F168 HydrophobicContact CG-CZ 4.42Å; L86-I177 HydrophobicContact CD2-CG2 3.63Å; L86-T212 HydrophobicContact CD2-CG2 4.25Å
87Q81Confident74.1Confident70 Ų7047.6 Ų47.633%0.32728%0.276SS..  trans-129143.9179.1-72.3-174.2-35.900110.7S84 G85 E91S84-Q87 VanDerWaalsContact CB-NE2 3.33Å; G85-Q87 PolarHBondContact O-N 3.13Å; Q87-E91 WeakPolarHBondContact CA-OE2 3.33Å; Q87-E91 HydrophobicContact CB-CB 4.17Å; Q87-E91 HydrophobicContact CG-CB 4.46Å
88G82.3Confident75Confident6 Ų646.1 Ų46.16%0.06226%0.257CS..  trans-69.8156.3167.600000111.5T90 E91 A92G88-T90 PolarHBondContact O-N 2.85Å; G88-T90 VanDerWaalsContact O-N 3.12Å; G88-E91 PolarHBondContact N-OE2 3.19Å; G88-E91 WeakPolarHBondContact O-CB 3.28Å; G88-E91 PolarHBondContact O-N 2.95Å; G88-A92 PolarHBondContact O-N 2.95Å
89F85.2Confident75.5Confident21 Ų2147.3 Ų47.39%0.09227%0.271CS..Hα-helixtrans-52.7-38.5179.8-176.1-87.8000113.5A93 R136 L138 M143 T144F89-A93 WeakPolarHBondContact O-CB 3.33Å; F89-A93 PolarHBondContact O-N 3.39Å; F89-R136 HydrophobicContact CD1-CB 3.91Å; F89-R136 HydrophobicContact CD1-CG 4.3Å; F89-R136 HydrophobicContact CD2-CB 3.97Å; F89-R136 HydrophobicContact CD2-CG 4.19Å; F89-R136 HydrophobicContact CE1-CB 3.72Å; F89-R136 HydrophobicContact CE2-CB 3.79Å; F89-R136 HydrophobicContact CE2-CG 4.49Å; F89-R136 HydrophobicContact CG-CB 4.03Å; F89-R136 HydrophobicContact CG-CG 4.09Å; F89-R136 HydrophobicContact CZ-CB 3.65Å; F89-L138 HydrophobicContact CE1-CD1 4.37Å; F89-L138 HydrophobicContact CZ-CB 4.4Å; F89-L138 HydrophobicContact CZ-CD1 4.32Å; F89-M143 HydrophobicContact CE2-CB 3.86Å; F89-M143 HydrophobicContact CE2-CG 4.44Å; F89-M143 HydrophobicContact CZ-CB 3.82Å; F89-M143 HydrophobicContact CZ-CG 4Å; F89-T144 HydrophobicContact CD2-CG2 4.34Å; F89-T144 HydrophobicContact CE2-CG2 4.03Å
90T85.7Confident76.3Confident45 Ų4548.1 Ų48.128%0.27628%0.278SS..Hα-helixtrans-66.8-35.9178.8-65.80000112.7G88 K94 S100 R136G88-T90 PolarHBondContact O-N 2.85Å; G88-T90 VanDerWaalsContact O-N 3.12Å; T90-K94 PolarHBondContact O-N 3.02Å; T90-K94 VanDerWaalsContact O-N 3.12Å; T90-S100 PolarHBondContact OG1-OG 2.9Å; T90-S100 VanDerWaalsContact OG1-OG 3.1Å; T90-R136 PolarHBondContact OG1-NH2 3.06Å
91E83Confident77.3Confident74 Ų7449 Ų4935%0.34629%0.288SS..Hα-helixtrans-71.4-45.2177-63.2169151.500110.5Q87 G88 A93 K94 A95Q87-E91 WeakPolarHBondContact CA-OE2 3.33Å; Q87-E91 HydrophobicContact CB-CB 4.17Å; Q87-E91 HydrophobicContact CG-CB 4.46Å; G88-E91 PolarHBondContact N-OE2 3.19Å; G88-E91 WeakPolarHBondContact O-CB 3.28Å; G88-E91 PolarHBondContact O-N 2.95Å; E91-A93 PolarHBondContact O-N 2.82Å; E91-K94 WeakPolarHBondContact O-CB 3.3Å; E91-K94 PolarHBondContact O-N 2.91Å; E91-A95 PolarHBondContact O-N 3.29Å; E91-A95 VanDerWaalsContact O-N 3.08Å
92A79.8Confident78.5Confident7 Ų749.1 Ų49.16%0.05829%0.288CS..Hα-helixtrans-55.6-50.9173.200000110.3G88 K94 A95 Y96G88-A92 PolarHBondContact O-N 2.95Å; A92-K94 VanDerWaalsContact C-N 3.32Å; A92-K94 PolarHBondContact O-N 2.88Å; A92-A95 WeakPolarHBondContact O-CB 3.44Å; A92-A95 PolarHBondContact O-N 3Å; A92-A95 VanDerWaalsContact O-N 3.1Å; A92-Y96 WeakPolarHBondContact O-CD2 3.34Å; A92-Y96 PolarHBondContact O-N 3.09Å
93A82.1Confident80.1Confident1 Ų151.2 Ų51.21%0.00829%0.286CS..Hα-helixtrans-55-44.6177.800000113F89 E91 A95 Y96 G97 K98 L138F89-A93 WeakPolarHBondContact O-CB 3.33Å; F89-A93 PolarHBondContact O-N 3.39Å; E91-A93 PolarHBondContact O-N 2.82Å; A93-A95 VanDerWaalsContact C-N 3.33Å; A93-A95 PolarHBondContact O-N 2.93Å; A93-Y96 CarbonylContact O-C 3.45Å; A93-Y96 PolarHBondContact O-N 3.28Å; A93-Y96 VanDerWaalsContact O-N 3.09Å; A93-G97 PolarHBondContact O-N 2.95Å; A93-K98 CarbonylContact C-O 3.59Å; A93-K98 WeakPolarHBondContact O-CB 3.37Å; A93-K98 PolarHBondContact O-N 2.9Å; A93-L138 HydrophobicContact CB-CD1 3.41Å; A93-L138 VanDerWaalsContact CB-CD1 3.41Å
94K81.1Confident81.9Confident160 Ų16048.9 Ų48.970%0.69628%0.282SS*.Hα-helixtrans-60.3-40.9177.5-172.2-177.5176.5-1710111.9T90 E91 A92 Y96 G97T90-K94 PolarHBondContact O-N 3.02Å; T90-K94 VanDerWaalsContact O-N 3.12Å; E91-K94 WeakPolarHBondContact O-CB 3.3Å; E91-K94 PolarHBondContact O-N 2.91Å; A92-K94 VanDerWaalsContact C-N 3.32Å; A92-K94 PolarHBondContact O-N 2.88Å; K94-Y96 PolarHBondContact O-N 3.41Å; K94-G97 PolarHBondContact O-N 3.2Å
95A69Low83.7Confident22 Ų2250.7 Ų50.718%0.18229%0.289CS..Hα-helixtrans-62.5-28.1176.300000113.1E91 A92 A93 G97E91-A95 PolarHBondContact O-N 3.29Å; E91-A95 VanDerWaalsContact O-N 3.08Å; A92-A95 WeakPolarHBondContact O-CB 3.44Å; A92-A95 PolarHBondContact O-N 3Å; A92-A95 VanDerWaalsContact O-N 3.1Å; A93-A95 VanDerWaalsContact C-N 3.33Å; A93-A95 PolarHBondContact O-N 2.93Å; A95-G97 VanDerWaalsContact C-N 3.35Å
96Y73.4Confident85.1Confident15 Ų1550.5 Ų50.56%0.05928%0.281CS..THydrogen-bonded Turntrans-86.2-2.4172.2-71.5-89.6000113.6Q76 I79 Q80 A92 A93 K94 K98Q76-Y96 HydrophobicContact CB-CE1 4.29Å; I79-Y96 HydrophobicContact CB-CE2 4.32Å; I79-Y96 HydrophobicContact CG1-CD2 4.32Å; I79-Y96 HydrophobicContact CG1-CE2 4.5Å; I79-Y96 HydrophobicContact CG2-CD2 4.13Å; I79-Y96 HydrophobicContact CG2-CE2 3.71Å; Q80-Y96 WeakPolarHBondContact CB-OH 3.33Å; Q80-Y96 PolarHBondContact N-OH 2.98Å; A92-Y96 WeakPolarHBondContact O-CD2 3.34Å; A92-Y96 PolarHBondContact O-N 3.09Å; A93-Y96 CarbonylContact O-C 3.45Å; A93-Y96 PolarHBondContact O-N 3.28Å; A93-Y96 VanDerWaalsContact O-N 3.09Å; K94-Y96 PolarHBondContact O-N 3.41Å; Y96-K98 VanDerWaalsContact C-N 3.34Å
97G72.3Confident86Confident44 Ų4449.3 Ų49.345%0.45427%0.273SS..THydrogen-bonded Turntrans71.830.6-176.600000113.4A93 K94 A95A93-G97 PolarHBondContact O-N 2.95Å; K94-G97 PolarHBondContact O-N 3.2Å; A95-G97 VanDerWaalsContact C-N 3.35Å
98K81.4Confident86.8Confident91 Ų9151.4 Ų51.440%0.39628%0.281SS..  trans-115152.6-171.2-65.2-74.6-179.3174.20110.6A93 Y96 L138 D139A93-K98 CarbonylContact C-O 3.59Å; A93-K98 WeakPolarHBondContact O-CB 3.37Å; A93-K98 PolarHBondContact O-N 2.9Å; Y96-K98 VanDerWaalsContact C-N 3.34Å; K98-L138 HydrophobicContact CB-CD1 3.52Å; K98-L138 HydrophobicContact CB-CD2 3.86Å; K98-L138 HydrophobicContact CB-CG 3.69Å; K98-L138 HydrophobicContact CD-CD2 3.92Å; K98-L138 HydrophobicContact CD-CG 4.36Å; K98-L138 HydrophobicContact CG-CD1 4.33Å; K98-L138 HydrophobicContact CG-CD2 3.76Å; K98-L138 HydrophobicContact CG-CG 4.17Å; K98-D139 WeakPolarHBondContact CD-OD2 3.48Å; K98-D139 WeakPolarHBondContact CE-OD2 3.19Å; K98-D139 IonicContact NZ-OD2 3.04Å; K98-D139 PolarHBondContact NZ-OD2 3.44Å
99T84.3Confident87.5Confident105 Ų10556.6 Ų56.664%0.64430%0.302SS*.  trans-95.2119.4177.1-53.30000109.2L138 D139T99-L138 WeakPolarHBondContact O-CA 3.35Å; T99-D139 PolarHBondContact N-OD1 2.8Å; T99-D139 PolarHBondContact O-N 3.43Å
100S90.2Very high88Confident27 Ų2756.9 Ų56.919%0.18931%0.305CS..EExtended strand (participates in β ladder)trans-90.2140.1172.868.90000111.2T90 I137T90-S100 PolarHBondContact OG1-OG 2.9Å; T90-S100 VanDerWaalsContact OG1-OG 3.1Å; S100-I137 CarbonylContact C-O 3.58Å; S100-I137 WeakPolarHBondContact CA-O 3.43Å
101S93.6Very high88.3Confident54 Ų5460.2 Ų60.238%0.37833%0.331SS..EExtended strand (participates in β ladder)trans-130163.4163.861.50000110.7I137S101-I137 PolarHBondContact N-O 2.87Å; S101-I137 PolarHBondContact O-N 3.46Å; S101-I137 WeakPolarHBondContact OG-CB 2.91Å
102T95.9Very high88.7Confident24 Ų2465 Ų6515%0.14735%0.353CS..EExtended strand (participates in β ladder)trans-128.6130.5-176.3-39.60000109.3V104 R134 R136 S164T102-V104 HydrophobicContact CG2-CG2 4.46Å; T102-R134 HydrophobicContact CG2-CB 4.05Å; T102-R134 HydrophobicContact CG2-CG 4.35Å; T102-R136 VanDerWaalsContact CG2-NH1 3.28Å; T102-R136 PolarHBondContact OG1-NH1 3.25Å; T102-R136 PolarHBondContact OG1-NH2 2.86Å; T102-S164 WeakPolarHBondContact CB-O 3.32Å; T102-S164 PolarHBondContact OG1-O 3.1Å
103E96.1Very high89.2Confident85 Ų8566.1 Ų66.140%0.39736%0.36SS..EExtended strand (participates in β ladder)trans-107120165.7-175.4-176.2-175.400107.9I105 R134 R135E103-I105 HydrophobicContact CG-CD1 3.92Å; E103-I105 PolarHBondContact O-N 3.3Å; E103-R134 WeakPolarHBondContact O-CA 3.41Å; E103-R135 HydrophobicContact CB-CB 4.27Å; E103-R135 PolarHBondContact N-O 2.84Å; E103-R135 PolarHBondContact O-N 2.94Å; E103-R135 VanDerWaalsContact OE2-CD 3.25Å; E103-R135 WeakPolarHBondContact OE2-CD 3.44Å; E103-R135 IonicContact OE2-CZ 2.68Å; E103-R135 IonicContact OE2-NE 3.4Å; E103-R135 IonicContact OE2-NH1 3.38Å; E103-R135 PolarHBondContact OE2-NH1 3.36Å
104V97.9Very high89.8Confident39 Ų3968.8 Ų68.824%0.23638%0.378CS..EExtended strand (participates in β ladder)trans-86.5111.1177.3-178.20000108T102 L132 A160 F163T102-V104 HydrophobicContact CG2-CG2 4.46Å; V104-L132 HydrophobicContact CG1-CD1 3.91Å; V104-A160 HydrophobicContact CG1-CB 4.13Å; V104-A160 WeakPolarHBondContact CG2-O 3.25Å; V104-F163 HydrophobicContact CG2-CB 4Å
105I97.2Very high90.4Very high67 Ų6768.3 Ų68.334%0.34438%0.378SS..EExtended strand (participates in β ladder)trans-81.9-42.1-175.1-55.3-60000110.6E103 V133 R135 L196E103-I105 HydrophobicContact CG-CD1 3.92Å; E103-I105 PolarHBondContact O-N 3.3Å; I105-V133 HydrophobicContact CB-CB 4.2Å; I105-V133 HydrophobicContact CB-CG1 3.97Å; I105-V133 HydrophobicContact CG1-CG1 4.37Å; I105-V133 HydrophobicContact CG2-CG1 4.36Å; I105-V133 PolarHBondContact N-O 3.01Å; I105-R135 HydrophobicContact CD1-CB 4.11Å; I105-R135 HydrophobicContact CG1-CB 4.13Å; I105-L196 HydrophobicContact CD1-CD2 3.96Å; I105-L196 HydrophobicContact CG1-CD2 4.37Å
106S97.2Very high91.7Very high37 Ų3772.1 Ų72.126%0.25939%0.392SS..EExtended strand (participates in β ladder)trans-157.2147.5174.4640000111.7L132 V133S106-L132 WeakPolarHBondContact O-CA 3.27Å; S106-V133 PolarHBondContact N-O 3.1Å; S106-V133 PolarHBondContact O-N 3.39Å; S106-V133 WeakPolarHBondContact OG-CB 3.45Å; S106-V133 VanDerWaalsContact OG-CG2 3.32Å; S106-V133 WeakPolarHBondContact OG-CG2 3.34Å
107F98.1Very high92.7Very high42 Ų4272 Ų7218%0.18439%0.392CS..EExtended strand (participates in β ladder)trans-139.5116.7168.1174.9-118.9000108.3Y130 E131 L132 V155 A160 F163F107-Y130 HydrophobicContact CE1-CD1 4.24Å; F107-Y130 AromaticContact CE2-CD1 3.78Å; F107-Y130 HydrophobicContact CE2-CD1 3.78Å; F107-Y130 HydrophobicContact CE2-CG 4.11Å; F107-Y130 AromaticContact CZ-CD1 3.57Å; F107-Y130 HydrophobicContact CZ-CD1 3.57Å; F107-Y130 HydrophobicContact CZ-CE1 4.2Å; F107-Y130 HydrophobicContact CZ-CG 4.17Å; F107-E131 WeakPolarHBondContact CA-O 3.36Å; F107-L132 HydrophobicContact CB-CD1 4.13Å; F107-L132 HydrophobicContact CD2-CB 4.1Å; F107-L132 HydrophobicContact CD2-CD1 4.13Å; F107-L132 HydrophobicContact CG-CD1 4.47Å; F107-V155 HydrophobicContact CE2-CB 4.37Å; F107-V155 HydrophobicContact CE2-CG2 4.42Å; F107-V155 HydrophobicContact CZ-CB 4.08Å; F107-V155 HydrophobicContact CZ-CG2 4.19Å; F107-A160 HydrophobicContact CB-CB 4.1Å; F107-F163 HydrophobicContact CD1-CD2 4.39Å; F107-F163 AromaticContact CD1-CE2 3.85Å; F107-F163 HydrophobicContact CD1-CE2 3.85Å; F107-F163 HydrophobicContact CD2-CD2 4.23Å; F107-F163 AromaticContact CD2-CE2 3.73Å; F107-F163 HydrophobicContact CD2-CE2 3.73Å; F107-F163 HydrophobicContact CD2-CZ 4.33Å; F107-F163 AromaticContact CE1-CE2 3.7Å; F107-F163 HydrophobicContact CE1-CE2 3.7Å; F107-F163 HydrophobicContact CE1-CZ 4.41Å; F107-F163 HydrophobicContact CE2-CD2 4.48Å; F107-F163 AromaticContact CE2-CE2 3.57Å; F107-F163 HydrophobicContact CE2-CE2 3.57Å; F107-F163 AromaticContact CE2-CZ 3.8Å; F107-F163 HydrophobicContact CE2-CZ 3.8Å; F107-F163 HydrophobicContact CG-CD2 4.18Å; F107-F163 AromaticContact CG-CE2 3.87Å; F107-F163 HydrophobicContact CG-CE2 3.87Å; F107-F163 AromaticContact CZ-CE2 3.55Å; F107-F163 HydrophobicContact CZ-CE2 3.55Å; F107-F163 AromaticContact CZ-CZ 3.86Å; F107-F163 HydrophobicContact CZ-CZ 3.86Å
108K97.2Very high93.9Very high114 Ų11470.5 Ų70.550%0.49637%0.374SS..EExtended strand (participates in β ladder)trans-152.8153.4-173.862.6-176.5176.9-173.20111.8Y130 E131K108-Y130 CarbonylContact O-C 3.43Å; K108-Y130 WeakPolarHBondContact O-CA 3.41Å; K108-E131 WeakPolarHBondContact CE-OE1 3.33Å; K108-E131 HydrophobicContact CG-CB 4.44Å; K108-E131 PolarHBondContact N-O 3.33Å; K108-E131 IonicContact NZ-OE1 2.91Å; K108-E131 PolarHBondContact NZ-OE1 3.27Å; K108-E131 VanDerWaalsContact NZ-OE1 3.09Å; K108-E131 PolarHBondContact O-N 2.92Å
109K96.4Very high94.5Very high114 Ų11471.9 Ų71.950%0.49639%0.386SS..EExtended strand (participates in β ladder)trans-68.9135.9168.3-172.6169.3176.4164.20109.8Y130K109-Y130 HydrophobicContact CB-CD1 4.17Å; K109-Y130 HydrophobicContact CB-CE1 3.87Å; K109-Y130 HydrophobicContact CD-CE2 4.5Å; K109-Y130 HydrophobicContact CG-CE2 4.35Å
110V95.7Very high95Very high27 Ų2767.7 Ų67.716%0.16436%0.362CS..  trans-83125.9175-175.30000108.3P113 I129 E131 Y149V110-P113 HydrophobicContact CG1-CB 4.1Å; V110-I129 HydrophobicContact CG2-CG2 4.33Å; V110-I129 PolarHBondContact N-O 3.35Å; V110-E131 HydrophobicContact CG2-CB 3.72Å; V110-Y149 HydrophobicContact CG2-CD1 4.12Å; V110-Y149 HydrophobicContact CG2-CE1 4.17Å
111S92.2Very high95.2Very high116 Ų11666.7 Ų66.781%0.81135%0.354SS*.SBendtrans-83.9-34.8-179.951.70000113.2
112E91Very high95.2Very high174 Ų17470.4 Ų70.481%0.81337%0.366SS*.SBendtrans-135.683.7-178.5-67.7175.9-172.200108
113P91.8Very high95.1Very high31 Ų3170.5 Ų70.520%0.20137%0.365CS..  trans-68.7135.6176.129.5-33000109.7V110 L118 I129V110-P113 HydrophobicContact CG1-CB 4.1Å; P113-L118 HydrophobicContact CB-CD2 4.36Å; P113-L118 HydrophobicContact CB-CG 4.22Å; P113-L118 HydrophobicContact CG-CD1 4.25Å; P113-L118 HydrophobicContact CG-CD2 3.96Å; P113-L118 HydrophobicContact CG-CG 4.12Å; P113-I129 HydrophobicContact CB-CD1 3.96Å; P113-I129 HydrophobicContact CG-CD1 4.28Å
114S94.1Very high94.9Very high56 Ų5673 Ų7339%0.39238%0.377SS..  trans-66.8152.9173.657.10000111.2E116 I117 L118S114-E116 PolarHBondContact O-N 2.99Å; S114-E116 VanDerWaalsContact O-N 3.1Å; S114-I117 PolarHBondContact O-N 2.93Å; S114-I117 VanDerWaalsContact OG-CD1 3.31Å; S114-I117 WeakPolarHBondContact OG-CD1 3.03Å; S114-I117 WeakPolarHBondContact OG-CG1 3.11Å; S114-L118 PolarHBondContact O-N 3.44Å
115E94.6Very high94.4Very high150 Ų15078.9 Ų78.970%0.70140%0.402SS*.Hα-helixtrans-51.8-35.7175.1-69.9-176.1173.900113I117 L118 N119E115-I117 PolarHBondContact O-N 3.02Å; E115-L118 PolarHBondContact O-N 3.41Å; E115-N119 VanDerWaalsContact O-CB 3.32Å; E115-N119 WeakPolarHBondContact O-CB 3.22Å; E115-N119 VanDerWaalsContact O-CG 3.23Å; E115-N119 PolarHBondContact O-N 3.37Å; E115-N119 PolarHBondContact O-ND2 2.84Å; E115-N119 VanDerWaalsContact O-ND2 3.08Å
116E94.6Very high94.1Very high103 Ų10382.3 Ų82.348%0.48142%0.421SS..Hα-helixtrans-57.6-45.6175.9-173.3-170.9145.100112.3S114 A120 Y222S114-E116 PolarHBondContact O-N 2.99Å; S114-E116 VanDerWaalsContact O-N 3.1Å; E116-A120 WeakPolarHBondContact O-CB 3.34Å; E116-A120 PolarHBondContact O-N 3.41Å; E116-Y222 HydrophobicContact CG-CE1 4.49Å; E116-Y222 PolarHBondContact OE1-OH 2.86Å
117I96Very high93.9Very high11 Ų1184.2 Ų84.26%0.05643%0.426CS..Hα-helixtrans-68.9-43.1-179.9-65.2165.3000110.4S114 E115 A120 L121 I129 Y149 Y222S114-I117 PolarHBondContact O-N 2.93Å; S114-I117 VanDerWaalsContact OG-CD1 3.31Å; S114-I117 WeakPolarHBondContact OG-CD1 3.03Å; S114-I117 WeakPolarHBondContact OG-CG1 3.11Å; E115-I117 PolarHBondContact O-N 3.02Å; I117-A120 PolarHBondContact O-N 3.49Å; I117-L121 HydrophobicContact CG2-CD1 4.02Å; I117-L121 WeakPolarHBondContact O-CB 3.43Å; I117-L121 PolarHBondContact O-N 2.95Å; I117-I129 HydrophobicContact CG2-CD1 4.01Å; I117-I129 HydrophobicContact CG2-CG2 4.27Å; I117-Y149 HydrophobicContact CD1-CD1 3.84Å; I117-Y149 HydrophobicContact CD1-CD2 4.1Å; I117-Y149 HydrophobicContact CD1-CE1 3.64Å; I117-Y149 HydrophobicContact CD1-CE2 3.89Å; I117-Y149 HydrophobicContact CD1-CG 4.07Å; I117-Y149 HydrophobicContact CG1-CD2 4.13Å; I117-Y149 HydrophobicContact CG1-CE2 4.25Å; I117-Y149 HydrophobicContact CG1-CG 4.26Å; I117-Y149 HydrophobicContact CG2-CD1 4.28Å; I117-Y149 HydrophobicContact CG2-CG 4Å; I117-Y222 HydrophobicContact CG1-CD1 4.06Å; I117-Y222 HydrophobicContact CG1-CE1 4.19Å
118L95.9Very high93.7Very high13 Ų1384.1 Ų84.17%0.06843%0.429CS..Hα-helixtrans-61.4-48.1178.1-71.3167.3000110.9P113 S114 E115 L121 Q122 L123 E125 I129P113-L118 HydrophobicContact CB-CD2 4.36Å; P113-L118 HydrophobicContact CB-CG 4.22Å; P113-L118 HydrophobicContact CG-CD1 4.25Å; P113-L118 HydrophobicContact CG-CD2 3.96Å; P113-L118 HydrophobicContact CG-CG 4.12Å; S114-L118 PolarHBondContact O-N 3.44Å; E115-L118 PolarHBondContact O-N 3.41Å; L118-L121 CarbonylContact O-C 3.53Å; L118-L121 PolarHBondContact O-N 3.15Å; L118-Q122 WeakPolarHBondContact O-CA 3.33Å; L118-Q122 PolarHBondContact O-N 3.49Å; L118-L123 HydrophobicContact CD2-CB 4.33Å; L118-L123 WeakPolarHBondContact CD2-O 3.37Å; L118-L123 PolarHBondContact O-N 3.44Å; L118-E125 HydrophobicContact CD1-CG 3.79Å; L118-I129 HydrophobicContact CD2-CD1 3.81Å
119N94.1Very high93.7Very high120 Ų12078.8 Ų78.864%0.64241%0.406SS*.Hα-helixtrans-64.6-43.6177.8-71.8-33.9000112.3E115 L121 Q122E115-N119 VanDerWaalsContact O-CB 3.32Å; E115-N119 WeakPolarHBondContact O-CB 3.22Å; E115-N119 VanDerWaalsContact O-CG 3.23Å; E115-N119 PolarHBondContact O-N 3.37Å; E115-N119 PolarHBondContact O-ND2 2.84Å; E115-N119 VanDerWaalsContact O-ND2 3.08Å; N119-L121 VanDerWaalsContact C-N 3.29Å; N119-L121 PolarHBondContact O-N 3.36Å; N119-Q122 PolarHBondContact O-N 3.03Å
120A94.4Very high93.8Very high18 Ų1875.5 Ų75.515%0.14939%0.391CS..Hα-helixtrans-61.9-37.7178.400000112.3E116 I117 V211 Y222E116-A120 WeakPolarHBondContact O-CB 3.34Å; E116-A120 PolarHBondContact O-N 3.41Å; I117-A120 PolarHBondContact O-N 3.49Å; A120-V211 HydrophobicContact CB-CG2 3.98Å; A120-V211 WeakPolarHBondContact O-CG1 3.45Å; A120-Y222 HydrophobicContact CB-CD1 4.08Å; A120-Y222 HydrophobicContact CB-CD2 3.91Å; A120-Y222 HydrophobicContact CB-CE1 4.46Å; A120-Y222 HydrophobicContact CB-CE2 4.33Å; A120-Y222 HydrophobicContact CB-CG 3.77Å
121L95.6Very high93.9Very high5 Ų575 Ų753%0.02639%0.387CS..Hα-helixtrans-89.4-4.9177.8-67.5176.8000114I117 L118 N119 L123 I129 P219I117-L121 HydrophobicContact CG2-CD1 4.02Å; I117-L121 WeakPolarHBondContact O-CB 3.43Å; I117-L121 PolarHBondContact O-N 2.95Å; L118-L121 CarbonylContact O-C 3.53Å; L118-L121 PolarHBondContact O-N 3.15Å; N119-L121 VanDerWaalsContact C-N 3.29Å; N119-L121 PolarHBondContact O-N 3.36Å; L121-L123 VanDerWaalsContact C-N 3.25Å; L121-L123 HydrophobicContact CB-CB 4.43Å; L121-L123 HydrophobicContact CB-CD1 3.68Å; L121-L123 HydrophobicContact CB-CG 3.76Å; L121-L123 HydrophobicContact CD1-CD1 3.93Å; L121-L123 HydrophobicContact CG-CD1 4.44Å; L121-L123 PolarHBondContact O-N 3.03Å; L121-I129 HydrophobicContact CD1-CD1 4.18Å; L121-I129 HydrophobicContact CD1-CG1 4.48Å; L121-I129 HydrophobicContact CD1-CG2 4.15Å; L121-P219 HydrophobicContact CD2-CB 4.35Å
122Q93.1Very high94.2Very high132 Ų13269.4 Ų69.462%0.61735%0.348SS*.THydrogen-bonded Turntrans51.745.2-172.5-58.2173.118.200112.2L118 N119 P219L118-Q122 WeakPolarHBondContact O-CA 3.33Å; L118-Q122 PolarHBondContact O-N 3.49Å; N119-Q122 PolarHBondContact O-N 3.03Å; Q122-P219 HydrophobicContact CB-CG 4.09Å; Q122-P219 HydrophobicContact CG-CG 3.78Å
123L93.6Very high94.5Very high27 Ų2761.7 Ų61.714%0.14131%0.313CS..  trans-112.8149.1-179.6-63.6174.5000111.3L118 L121 Q127 I129L118-L123 HydrophobicContact CD2-CB 4.33Å; L118-L123 WeakPolarHBondContact CD2-O 3.37Å; L118-L123 PolarHBondContact O-N 3.44Å; L121-L123 VanDerWaalsContact C-N 3.25Å; L121-L123 HydrophobicContact CB-CB 4.43Å; L121-L123 HydrophobicContact CB-CD1 3.68Å; L121-L123 HydrophobicContact CB-CG 3.76Å; L121-L123 HydrophobicContact CD1-CD1 3.93Å; L121-L123 HydrophobicContact CG-CD1 4.44Å; L121-L123 PolarHBondContact O-N 3.03Å; L123-Q127 HydrophobicContact CB-CB 4.29Å; L123-Q127 HydrophobicContact CD2-CB 4.31Å; L123-I129 HydrophobicContact CD1-CD1 3.87Å; L123-I129 HydrophobicContact CD1-CG1 3.74Å
124E91.5Very high94.8Very high136 Ų13660.7 Ų60.764%0.63631%0.305SS*.  trans-83.6158.1171-61-66.4163.400111.1D126 Q127E124-D126 WeakPolarHBondContact CB-OD1 3.45Å; E124-D126 PolarHBondContact O-N 3.2Å; E124-D126 VanDerWaalsContact O-N 3.1Å; E124-Q127 HydrophobicContact CB-CG 4.35Å; E124-Q127 WeakPolarHBondContact O-CB 3.39Å; E124-Q127 PolarHBondContact O-N 3.26Å
125E88.5Confident95Very high163 Ų16360.2 Ų60.276%0.76230%0.295SS*.THydrogen-bonded Turntrans-58.2-26.2-176.5-71.7-174.3175.600114.4L118 Q127L118-E125 HydrophobicContact CD1-CG 3.79Å; E125-Q127 VanDerWaalsContact C-N 3.34Å
126D90.2Very high95Very high139 Ų13953.2 Ų53.274%0.74326%0.261SS*.THydrogen-bonded Turntrans-82.7-11.3-179.772.7-31.6000113.4E124 P128E124-D126 WeakPolarHBondContact CB-OD1 3.45Å; E124-D126 PolarHBondContact O-N 3.2Å; E124-D126 VanDerWaalsContact O-N 3.1Å; D126-P128 WeakPolarHBondContact O-CD 3.48Å
127Q92.8Very high95Very high78 Ų7849.4 Ų49.436%0.36424%0.244SC..SBendtrans-83.6119.8-179.1-63-175.5-61.700110.9L123 E124 E125 I129L123-Q127 HydrophobicContact CB-CB 4.29Å; L123-Q127 HydrophobicContact CD2-CB 4.31Å; E124-Q127 HydrophobicContact CB-CG 4.35Å; E124-Q127 WeakPolarHBondContact O-CB 3.39Å; E124-Q127 PolarHBondContact O-N 3.26Å; E125-Q127 VanDerWaalsContact C-N 3.34Å; Q127-I129 PolarHBondContact O-N 3.3Å
128P94.9Very high94.6Very high39 Ų3949.5 Ų49.525%0.25325%0.245SC..  trans-63.7130.7-175.9-28.338.7000114.6D126 E152D126-P128 WeakPolarHBondContact O-CD 3.48Å; P128-E152 HydrophobicContact CB-CB 3.78Å; P128-E152 HydrophobicContact CB-CG 4.44Å; P128-E152 WeakPolarHBondContact O-CB 3.42Å; P128-E152 PolarHBondContact O-N 3.34Å
129I96.7Very high94.1Very high2 Ų252.3 Ų52.31%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-117.4143.7177.1-58.1175.5000110.4V110 P113 I117 L118 L121 L123 Q127 Y149 L150V110-I129 HydrophobicContact CG2-CG2 4.33Å; V110-I129 PolarHBondContact N-O 3.35Å; P113-I129 HydrophobicContact CB-CD1 3.96Å; P113-I129 HydrophobicContact CG-CD1 4.28Å; I117-I129 HydrophobicContact CG2-CD1 4.01Å; I117-I129 HydrophobicContact CG2-CG2 4.27Å; L118-I129 HydrophobicContact CD2-CD1 3.81Å; L121-I129 HydrophobicContact CD1-CD1 4.18Å; L121-I129 HydrophobicContact CD1-CG1 4.48Å; L121-I129 HydrophobicContact CD1-CG2 4.15Å; L123-I129 HydrophobicContact CD1-CD1 3.87Å; L123-I129 HydrophobicContact CD1-CG1 3.74Å; Q127-I129 PolarHBondContact O-N 3.3Å; I129-Y149 HydrophobicContact CG2-CD1 4.39Å; I129-L150 WeakPolarHBondContact CA-O 3.49Å
130Y98Very high93.7Very high46 Ų4654 Ų5418%0.1827%0.269CS..EExtended strand (participates in β ladder)trans-116.6139174.9-72.9-108000111.1F107 K108 K109 Y149 L150 E152 V155F107-Y130 HydrophobicContact CE1-CD1 4.24Å; F107-Y130 AromaticContact CE2-CD1 3.78Å; F107-Y130 HydrophobicContact CE2-CD1 3.78Å; F107-Y130 HydrophobicContact CE2-CG 4.11Å; F107-Y130 AromaticContact CZ-CD1 3.57Å; F107-Y130 HydrophobicContact CZ-CD1 3.57Å; F107-Y130 HydrophobicContact CZ-CE1 4.2Å; F107-Y130 HydrophobicContact CZ-CG 4.17Å; K108-Y130 CarbonylContact O-C 3.43Å; K108-Y130 WeakPolarHBondContact O-CA 3.41Å; K109-Y130 HydrophobicContact CB-CD1 4.17Å; K109-Y130 HydrophobicContact CB-CE1 3.87Å; K109-Y130 HydrophobicContact CD-CE2 4.5Å; K109-Y130 HydrophobicContact CG-CE2 4.35Å; Y130-Y149 VanDerWaalsContact O-CA 3.3Å; Y130-Y149 WeakPolarHBondContact O-CA 3.49Å; Y130-L150 PolarHBondContact N-O 3.08Å; Y130-L150 PolarHBondContact O-N 3.12Å; Y130-E152 HydrophobicContact CD2-CB 4.13Å; Y130-E152 HydrophobicContact CE2-CB 3.71Å; Y130-E152 HydrophobicContact CE2-CG 3.71Å; Y130-E152 WeakPolarHBondContact CE2-OE1 3.31Å; Y130-E152 PolarHBondContact OH-OE1 3.21Å; Y130-V155 HydrophobicContact CD1-CG2 4.38Å; Y130-V155 HydrophobicContact CD2-CG2 3.61Å; Y130-V155 HydrophobicContact CE2-CG2 4.23Å; Y130-V155 HydrophobicContact CG-CG2 3.71Å
131E98.3Very high93.5Very high15 Ų1555.5 Ų55.57%0.0727%0.273CS..EExtended strand (participates in β ladder)trans-97.9125170-178.7-177.678.700109.1F107 K108 V110 V133 K147 I148 Y149F107-E131 WeakPolarHBondContact CA-O 3.36Å; K108-E131 WeakPolarHBondContact CE-OE1 3.33Å; K108-E131 HydrophobicContact CG-CB 4.44Å; K108-E131 PolarHBondContact N-O 3.33Å; K108-E131 IonicContact NZ-OE1 2.91Å; K108-E131 PolarHBondContact NZ-OE1 3.27Å; K108-E131 VanDerWaalsContact NZ-OE1 3.09Å; K108-E131 PolarHBondContact O-N 2.92Å; V110-E131 HydrophobicContact CG2-CB 3.72Å; E131-V133 HydrophobicContact CG-CG2 4.09Å; E131-K147 HydrophobicContact CG-CG 4.34Å; E131-K147 IonicContact OE1-NZ 3.56Å; E131-K147 WeakPolarHBondContact OE2-CE 3.08Å; E131-K147 IonicContact OE2-NZ 2.92Å; E131-K147 PolarHBondContact OE2-NZ 2.85Å; E131-I148 CarbonylContact C-O 3.5Å; E131-I148 WeakPolarHBondContact CA-O 3.37Å; E131-Y149 HydrophobicContact CB-CD1 4.04Å; E131-Y149 HydrophobicContact CB-CE1 3.74Å; E131-Y149 HydrophobicContact CG-CD1 4.33Å; E131-Y149 HydrophobicContact CG-CE1 3.71Å; E131-Y149 WeakPolarHBondContact OE2-CE1 2.81Å; E131-Y149 PolarHBondContact OE2-OH 3.47Å
132L98.4Very high93.5Very high0 Ų055.7 Ų55.70%027%0.274CS..EExtended strand (participates in β ladder)trans-117.7117.9174.1172.762.9000108.6V104 S106 F107 R134 I148 L150 F163V104-L132 HydrophobicContact CG1-CD1 3.91Å; S106-L132 WeakPolarHBondContact O-CA 3.27Å; F107-L132 HydrophobicContact CB-CD1 4.13Å; F107-L132 HydrophobicContact CD2-CB 4.1Å; F107-L132 HydrophobicContact CD2-CD1 4.13Å; F107-L132 HydrophobicContact CG-CD1 4.47Å; L132-R134 HydrophobicContact CD1-CG 3.85Å; L132-R134 HydrophobicContact CD2-CG 4.26Å; L132-R134 HydrophobicContact CG-CG 3.8Å; L132-I148 HydrophobicContact CB-CB 4.39Å; L132-I148 HydrophobicContact CD2-CD1 4.36Å; L132-I148 PolarHBondContact N-O 2.84Å; L132-I148 PolarHBondContact O-N 2.82Å; L132-L150 HydrophobicContact CB-CD1 4.32Å; L132-L150 HydrophobicContact CD2-CD1 4.46Å; L132-F163 HydrophobicContact CD1-CB 3.78Å; L132-F163 HydrophobicContact CD1-CD1 4.45Å; L132-F163 HydrophobicContact CD1-CD2 3.9Å; L132-F163 HydrophobicContact CD1-CG 3.78Å; L132-F163 HydrophobicContact CD2-CB 3.97Å; L132-F163 HydrophobicContact CD2-CD1 3.48Å; L132-F163 VanDerWaalsContact CD2-CD1 3.48Å; L132-F163 HydrophobicContact CD2-CD2 4.36Å; L132-F163 HydrophobicContact CD2-CE1 4.02Å; L132-F163 HydrophobicContact CD2-CG 3.67Å; L132-F163 HydrophobicContact CG-CG 4.39Å
133V98.2Very high93.4Very high12 Ų1249.6 Ų49.67%0.07325%0.246CC..EExtended strand (participates in β ladder)trans-109.5123.5175.2-174.80000109I105 S106 E131 V145 E146 K147I105-V133 HydrophobicContact CB-CB 4.2Å; I105-V133 HydrophobicContact CB-CG1 3.97Å; I105-V133 HydrophobicContact CG1-CG1 4.37Å; I105-V133 HydrophobicContact CG2-CG1 4.36Å; I105-V133 PolarHBondContact N-O 3.01Å; S106-V133 PolarHBondContact N-O 3.1Å; S106-V133 PolarHBondContact O-N 3.39Å; S106-V133 WeakPolarHBondContact OG-CB 3.45Å; S106-V133 VanDerWaalsContact OG-CG2 3.32Å; S106-V133 WeakPolarHBondContact OG-CG2 3.34Å; E131-V133 HydrophobicContact CG-CG2 4.09Å; V133-V145 HydrophobicContact CG1-CG1 4.11Å; V133-E146 CarbonylContact C-O 3.46Å; V133-E146 VanDerWaalsContact CA-O 3.26Å; V133-E146 WeakPolarHBondContact CA-O 3.5Å; V133-K147 HydrophobicContact CG2-CB 4.42Å; V133-K147 HydrophobicContact CG2-CG 4.24Å
134R97.9Very high93.5Very high9 Ų948.3 Ų48.33%0.03424%0.239CC..EExtended strand (participates in β ladder)trans-129.6144.2-178.4-54.5-168.7-58.1-178.1-6.4110.9T102 E103 L132 V145 E146 F163T102-R134 HydrophobicContact CG2-CB 4.05Å; T102-R134 HydrophobicContact CG2-CG 4.35Å; E103-R134 WeakPolarHBondContact O-CA 3.41Å; L132-R134 HydrophobicContact CD1-CG 3.85Å; L132-R134 HydrophobicContact CD2-CG 4.26Å; L132-R134 HydrophobicContact CG-CG 3.8Å; R134-V145 CarbonylContact O-C 3.52Å; R134-V145 VanDerWaalsContact O-CA 3.28Å; R134-V145 WeakPolarHBondContact O-CA 3.28Å; R134-E146 IonicContact CZ-OE2 3.81Å; R134-E146 PolarHBondContact N-O 3.41Å; R134-E146 IonicContact NE-OE2 3.21Å; R134-E146 PolarHBondContact NE-OE2 3.2Å; R134-E146 IonicContact NH2-OE1 2.76Å; R134-E146 IonicContact NH2-OE2 3.48Å; R134-E146 PolarHBondContact NH2-OE2 2.66Å; R134-E146 PolarHBondContact O-N 3.08Å; R134-F163 PolarHBondContact NH1-O 3.17Å
135R97Very high93.7Very high47 Ų4742 Ų4218%0.17721%0.21CC..EExtended strand (participates in β ladder)trans-108123.1169.1-179.7-162.4-174.2-171.211.8108E103 I105 I137 T144 V145 L196E103-R135 HydrophobicContact CB-CB 4.27Å; E103-R135 PolarHBondContact N-O 2.84Å; E103-R135 PolarHBondContact O-N 2.94Å; E103-R135 VanDerWaalsContact OE2-CD 3.25Å; E103-R135 WeakPolarHBondContact OE2-CD 3.44Å; E103-R135 IonicContact OE2-CZ 2.68Å; E103-R135 IonicContact OE2-NE 3.4Å; E103-R135 IonicContact OE2-NH1 3.38Å; E103-R135 PolarHBondContact OE2-NH1 3.36Å; I105-R135 HydrophobicContact CD1-CB 4.11Å; I105-R135 HydrophobicContact CG1-CB 4.13Å; R135-I137 HydrophobicContact CG-CG1 4.47Å; R135-T144 CarbonylContact C-O 3.53Å; R135-T144 WeakPolarHBondContact CA-O 3.01Å; R135-V145 HydrophobicContact CB-CG2 4.47Å; R135-V145 HydrophobicContact CG-CG2 4.38Å; R135-L196 PolarHBondContact NE-O 3.02Å; R135-L196 PolarHBondContact NH2-O 3.31Å
136R95.3Very high94.2Very high2 Ų235 Ų351%0.00818%0.177CC..EExtended strand (participates in β ladder)trans-98132.3179.3-50-60.4-59.7-168.94.7109.8F89 T90 T102 M143 T144 E146 G165F89-R136 HydrophobicContact CD1-CB 3.91Å; F89-R136 HydrophobicContact CD1-CG 4.3Å; F89-R136 HydrophobicContact CD2-CB 3.97Å; F89-R136 HydrophobicContact CD2-CG 4.19Å; F89-R136 HydrophobicContact CE1-CB 3.72Å; F89-R136 HydrophobicContact CE2-CB 3.79Å; F89-R136 HydrophobicContact CE2-CG 4.49Å; F89-R136 HydrophobicContact CG-CB 4.03Å; F89-R136 HydrophobicContact CG-CG 4.09Å; F89-R136 HydrophobicContact CZ-CB 3.65Å; T90-R136 PolarHBondContact OG1-NH2 3.06Å; T102-R136 VanDerWaalsContact CG2-NH1 3.28Å; T102-R136 PolarHBondContact OG1-NH1 3.25Å; T102-R136 PolarHBondContact OG1-NH2 2.86Å; R136-M143 PolarHBondContact O-N 2.79Å; R136-T144 WeakPolarHBondContact CB-OG1 3.17Å; R136-T144 WeakPolarHBondContact CG-OG1 3.42Å; R136-T144 PolarHBondContact N-O 3.15Å; R136-T144 PolarHBondContact O-N 3.28Å; R136-E146 WeakPolarHBondContact CD-OE1 3.34Å; R136-E146 HydrophobicContact CG-CG 4.05Å; R136-E146 VanDerWaalsContact CG-OE1 3.26Å; R136-E146 WeakPolarHBondContact CG-OE1 3.43Å; R136-G165 PolarHBondContact NH1-O 2.93Å
137I94.1Very high94.5Very high23 Ų2331.3 Ų31.312%0.11816%0.155CC..EExtended strand (participates in β ladder)trans-123142.5-175.3-61.6166.1000108.3S100 S101 R135 D140 E141S100-I137 CarbonylContact C-O 3.58Å; S100-I137 WeakPolarHBondContact CA-O 3.43Å; S101-I137 PolarHBondContact N-O 2.87Å; S101-I137 PolarHBondContact O-N 3.46Å; S101-I137 WeakPolarHBondContact OG-CB 2.91Å; R135-I137 HydrophobicContact CG-CG1 4.47Å; I137-D140 VanDerWaalsContact CG2-C 3.47Å; I137-E141 CarbonylContact C-O 3.56Å; I137-E141 VanDerWaalsContact CA-O 3.27Å; I137-E141 WeakPolarHBondContact CA-O 3.49Å
138L87.8Confident94.8Very high14 Ų1427.7 Ų27.77%0.07314%0.138CC..EExtended strand (participates in β ladder)trans-129.4119.5177.9-167.394.4000109.7I79 F89 A93 K98 T99 D140 E141 M143I79-L138 HydrophobicContact CD1-CD1 4.14Å; I79-L138 HydrophobicContact CD1-CD2 3.72Å; I79-L138 HydrophobicContact CD1-CG 4.48Å; F89-L138 HydrophobicContact CE1-CD1 4.37Å; F89-L138 HydrophobicContact CZ-CB 4.4Å; F89-L138 HydrophobicContact CZ-CD1 4.32Å; A93-L138 HydrophobicContact CB-CD1 3.41Å; A93-L138 VanDerWaalsContact CB-CD1 3.41Å; K98-L138 HydrophobicContact CB-CD1 3.52Å; K98-L138 HydrophobicContact CB-CD2 3.86Å; K98-L138 HydrophobicContact CB-CG 3.69Å; K98-L138 HydrophobicContact CD-CD2 3.92Å; K98-L138 HydrophobicContact CD-CG 4.36Å; K98-L138 HydrophobicContact CG-CD1 4.33Å; K98-L138 HydrophobicContact CG-CD2 3.76Å; K98-L138 HydrophobicContact CG-CG 4.17Å; T99-L138 WeakPolarHBondContact O-CA 3.35Å; L138-D140 PolarHBondContact O-N 2.98Å; L138-E141 PolarHBondContact N-O 3.05Å; L138-E141 WeakPolarHBondContact O-CB 3.34Å; L138-E141 PolarHBondContact O-N 2.79Å; L138-M143 HydrophobicContact CB-CG 3.48Å; L138-M143 VanDerWaalsContact CB-CG 3.48Å; L138-M143 HydrophobicContact CB-SD 4.12Å; L138-M143 HydrophobicContact CD2-CE 4.49Å
139D85.8Confident94.9Very high71 Ų7126.6 Ų26.638%0.3813%0.129SC..THydrogen-bonded Turntrans43.350.8-175.2-64.3-3.4000112.1K98 T99 E141K98-D139 WeakPolarHBondContact CD-OD2 3.48Å; K98-D139 WeakPolarHBondContact CE-OD2 3.19Å; K98-D139 IonicContact NZ-OD2 3.04Å; K98-D139 PolarHBondContact NZ-OD2 3.44Å; T99-D139 PolarHBondContact N-OD1 2.8Å; T99-D139 PolarHBondContact O-N 3.43Å; D139-E141 VanDerWaalsContact C-N 3.25Å; D139-E141 PolarHBondContact O-N 2.77Å
140D86.5Confident95Very high156 Ų15626.5 Ų26.583%0.83413%0.128SC*.THydrogen-bonded Turntrans71.22.4-178.9-50.2-50.1000116.7I137 L138I137-D140 VanDerWaalsContact CG2-C 3.47Å; L138-D140 PolarHBondContact O-N 2.98Å
141E90.4Very high94.8Very high49 Ų4925.4 Ų25.423%0.22913%0.127CC..EExtended strand (participates in β ladder)trans-102.4129.6177.4-171.1170.6-154.500112.8I137 L138 D139 M143 R228 R231I137-E141 CarbonylContact C-O 3.56Å; I137-E141 VanDerWaalsContact CA-O 3.27Å; I137-E141 WeakPolarHBondContact CA-O 3.49Å; L138-E141 PolarHBondContact N-O 3.05Å; L138-E141 WeakPolarHBondContact O-CB 3.34Å; L138-E141 PolarHBondContact O-N 2.79Å; D139-E141 VanDerWaalsContact C-N 3.25Å; D139-E141 PolarHBondContact O-N 2.77Å; E141-M143 WeakPolarHBondContact O-CG 3.4Å; E141-M143 PolarHBondContact O-N 2.89Å; E141-R228 IonicContact OE1-CZ 3.37Å; E141-R228 IonicContact OE1-NH1 3.41Å; E141-R228 PolarHBondContact OE1-NH1 2.77Å; E141-R228 IonicContact OE1-NH2 2.94Å; E141-R228 PolarHBondContact OE1-NH2 3.31Å; E141-R231 IonicContact OE1-CZ 3.05Å; E141-R231 IonicContact OE1-NE 3.88Å; E141-R231 PolarHBondContact OE1-NE 3.01Å; E141-R231 IonicContact OE1-NH1 3.78Å; E141-R231 PolarHBondContact OE1-NH1 2.78Å; E141-R231 IonicContact OE1-NH2 3.64Å; E141-R231 PolarHBondContact OE1-NH2 2.97Å; E141-R231 IonicContact OE2-CZ 3.55Å; E141-R231 IonicContact OE2-NE 3.83Å; E141-R231 IonicContact OE2-NH1 3.43Å; E141-R231 PolarHBondContact OE2-NH1 2.75Å; E141-R231 IonicContact OE2-NH2 2.71Å; E141-R231 PolarHBondContact OE2-NH2 2.79Å
142P94Very high94.7Very high9 Ų927 Ų276%0.05813%0.134CC..EExtended strand (participates in β ladder)trans-64.9130.7173.6-20.133.8000110.9L196 D198 R228P142-L196 WeakPolarHBondContact CB-O 3.43Å; P142-D198 HydrophobicContact CG-CB 4.24Å; P142-R228 WeakPolarHBondContact O-CD 3.43Å; P142-R228 PolarHBondContact O-NH1 3.46Å
143M92.3Very high94.5Very high5 Ų533.5 Ų33.53%0.02516%0.163CC..EExtended strand (participates in β ladder)trans-115.6-48.7-175.5-63.5-61.5-68.400112.1I79 F89 R136 L138 E141 R228 R231I79-M143 HydrophobicContact CD1-CE 3.68Å; I79-M143 HydrophobicContact CG1-CE 4.1Å; F89-M143 HydrophobicContact CE2-CB 3.86Å; F89-M143 HydrophobicContact CE2-CG 4.44Å; F89-M143 HydrophobicContact CZ-CB 3.82Å; F89-M143 HydrophobicContact CZ-CG 4Å; R136-M143 PolarHBondContact O-N 2.79Å; L138-M143 HydrophobicContact CB-CG 3.48Å; L138-M143 VanDerWaalsContact CB-CG 3.48Å; L138-M143 HydrophobicContact CB-SD 4.12Å; L138-M143 HydrophobicContact CD2-CE 4.49Å; E141-M143 WeakPolarHBondContact O-CG 3.4Å; E141-M143 PolarHBondContact O-N 2.89Å; M143-R228 PolarHBondContact O-N 3.03Å; M143-R231 HydrophobicContact CE-CB 3.52Å; M143-R231 HydrophobicContact CE-CG 4.36Å; M143-R231 HydrophobicContact SD-CB 4.03Å; M143-R231 HydrophobicContact SD-CG 4.27Å
144T94.6Very high94.3Very high0 Ų033.7 Ų33.70%016%0.163CC..EExtended strand (participates in β ladder)trans-141.3151.3-174.472.50000111.5F89 R135 R136 Y226 Y227F89-T144 HydrophobicContact CD2-CG2 4.34Å; F89-T144 HydrophobicContact CE2-CG2 4.03Å; R135-T144 CarbonylContact C-O 3.53Å; R135-T144 WeakPolarHBondContact CA-O 3.01Å; R136-T144 WeakPolarHBondContact CB-OG1 3.17Å; R136-T144 WeakPolarHBondContact CG-OG1 3.42Å; R136-T144 PolarHBondContact N-O 3.15Å; R136-T144 PolarHBondContact O-N 3.28Å; T144-Y226 CarbonylContact C-O 3.58Å; T144-Y226 WeakPolarHBondContact CA-O 3.37Å; T144-Y227 HydrophobicContact CG2-CD1 3.22Å; T144-Y227 HydrophobicContact CG2-CE1 3.51Å; T144-Y227 HydrophobicContact CG2-CG 3.95Å
145V97.4Very high94.2Very high4 Ų433.4 Ų33.42%0.02416%0.162CC..EExtended strand (participates in β ladder)trans-117.5125.3162.81740000106.7V133 R134 R135 L193 L196 L197 S225 Y226V133-V145 HydrophobicContact CG1-CG1 4.11Å; R134-V145 CarbonylContact O-C 3.52Å; R134-V145 VanDerWaalsContact O-CA 3.28Å; R134-V145 WeakPolarHBondContact O-CA 3.28Å; R135-V145 HydrophobicContact CB-CG2 4.47Å; R135-V145 HydrophobicContact CG-CG2 4.38Å; V145-L193 HydrophobicContact CB-CD2 4.26Å; V145-L193 HydrophobicContact CG1-CD2 4.4Å; V145-L193 HydrophobicContact CG2-CD2 4.44Å; V145-L196 HydrophobicContact CG1-CD1 4.29Å; V145-L196 HydrophobicContact CG2-CB 3.73Å; V145-L196 HydrophobicContact CG2-CD1 4.11Å; V145-L197 HydrophobicContact CG2-CD2 3.84Å; V145-L197 HydrophobicContact CG2-CG 3.92Å; V145-S225 CarbonylContact O-C 3.53Å; V145-S225 WeakPolarHBondContact O-CA 3.34Å; V145-Y226 HydrophobicContact CB-CD2 4.39Å; V145-Y226 HydrophobicContact CG1-CD2 4.45Å; V145-Y226 PolarHBondContact N-O 3.24Å; V145-Y226 WeakPolarHBondContact O-CD2 3.24Å; V145-Y226 PolarHBondContact O-N 3.43Å
146E97Very high94Very high14 Ų1438.4 Ų38.47%0.06519%0.185CC..EExtended strand (participates in β ladder)trans-109.4134.4-178.4-51.6170.3161.700107.7V133 R134 R136 I148 S225V133-E146 CarbonylContact C-O 3.46Å; V133-E146 VanDerWaalsContact CA-O 3.26Å; V133-E146 WeakPolarHBondContact CA-O 3.5Å; R134-E146 IonicContact CZ-OE2 3.81Å; R134-E146 PolarHBondContact N-O 3.41Å; R134-E146 IonicContact NE-OE2 3.21Å; R134-E146 PolarHBondContact NE-OE2 3.2Å; R134-E146 IonicContact NH2-OE1 2.76Å; R134-E146 IonicContact NH2-OE2 3.48Å; R134-E146 PolarHBondContact NH2-OE2 2.66Å; R134-E146 PolarHBondContact O-N 3.08Å; R136-E146 WeakPolarHBondContact CD-OE1 3.34Å; R136-E146 HydrophobicContact CG-CG 4.05Å; R136-E146 VanDerWaalsContact CG-OE1 3.26Å; R136-E146 WeakPolarHBondContact CG-OE1 3.43Å; E146-I148 HydrophobicContact CB-CD1 3.87Å; E146-I148 HydrophobicContact CB-CG1 4Å; E146-S225 WeakPolarHBondContact CG-OG 3.26Å
147K97.8Very high93.9Very high62 Ų6241.9 Ų41.927%0.2722%0.221SC..EExtended strand (participates in β ladder)trans-124.4101.8173.8172.8177.7-97.5-120.70107.4E131 V133 Y149 D223 I224E131-K147 HydrophobicContact CG-CG 4.34Å; E131-K147 IonicContact OE1-NZ 3.56Å; E131-K147 WeakPolarHBondContact OE2-CE 3.08Å; E131-K147 IonicContact OE2-NZ 2.92Å; E131-K147 PolarHBondContact OE2-NZ 2.85Å; V133-K147 HydrophobicContact CG2-CB 4.42Å; V133-K147 HydrophobicContact CG2-CG 4.24Å; K147-Y149 HydrophobicContact CD-CE2 4.35Å; K147-Y149 WeakPolarHBondContact CD-OH 3.47Å; K147-Y149 HydrophobicContact CG-CE2 3.94Å; K147-D223 PolarHBondContact N-OD1 3.02Å; K147-I224 HydrophobicContact CB-CB 4.5Å; K147-I224 WeakPolarHBondContact CB-O 3.34Å; K147-I224 PolarHBondContact N-O 3.01Å; K147-I224 PolarHBondContact O-N 3.07Å
148I98.1Very high94Very high2 Ų242.9 Ų42.91%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-113132.7-164.6-53.9158.7000109E131 L132 E146 L150 L167 F221 Y222 D223E131-I148 CarbonylContact C-O 3.5Å; E131-I148 WeakPolarHBondContact CA-O 3.37Å; L132-I148 HydrophobicContact CB-CB 4.39Å; L132-I148 HydrophobicContact CD2-CD1 4.36Å; L132-I148 PolarHBondContact N-O 2.84Å; L132-I148 PolarHBondContact O-N 2.82Å; E146-I148 HydrophobicContact CB-CD1 3.87Å; E146-I148 HydrophobicContact CB-CG1 4Å; I148-L150 HydrophobicContact CB-CD1 4.31Å; I148-L150 HydrophobicContact CG2-CD1 3.58Å; I148-L150 HydrophobicContact CG2-CG 3.97Å; I148-L167 HydrophobicContact CD1-CD2 3.72Å; I148-L167 HydrophobicContact CG2-CD2 4.41Å; I148-F221 HydrophobicContact CG2-CB 3.79Å; I148-F221 HydrophobicContact CG2-CD2 3.86Å; I148-F221 HydrophobicContact CG2-CG 3.98Å; I148-Y222 CarbonylContact C-O 3.51Å; I148-Y222 WeakPolarHBondContact CA-O 3.06Å; I148-D223 HydrophobicContact CG1-CB 4.14Å; I148-D223 WeakPolarHBondContact CG1-OD1 3.45Å
149Y98.4Very high94.4Very high17 Ų1748.8 Ų48.87%0.06725%0.252CS..EExtended strand (participates in β ladder)trans-110.2125.4174.9-59.9-79.8000109.4V110 I117 I129 Y130 E131 K147 F221 Y222 I224V110-Y149 HydrophobicContact CG2-CD1 4.12Å; V110-Y149 HydrophobicContact CG2-CE1 4.17Å; I117-Y149 HydrophobicContact CD1-CD1 3.84Å; I117-Y149 HydrophobicContact CD1-CD2 4.1Å; I117-Y149 HydrophobicContact CD1-CE1 3.64Å; I117-Y149 HydrophobicContact CD1-CE2 3.89Å; I117-Y149 HydrophobicContact CD1-CG 4.07Å; I117-Y149 HydrophobicContact CG1-CD2 4.13Å; I117-Y149 HydrophobicContact CG1-CE2 4.25Å; I117-Y149 HydrophobicContact CG1-CG 4.26Å; I117-Y149 HydrophobicContact CG2-CD1 4.28Å; I117-Y149 HydrophobicContact CG2-CG 4Å; I129-Y149 HydrophobicContact CG2-CD1 4.39Å; Y130-Y149 VanDerWaalsContact O-CA 3.3Å; Y130-Y149 WeakPolarHBondContact O-CA 3.49Å; E131-Y149 HydrophobicContact CB-CD1 4.04Å; E131-Y149 HydrophobicContact CB-CE1 3.74Å; E131-Y149 HydrophobicContact CG-CD1 4.33Å; E131-Y149 HydrophobicContact CG-CE1 3.71Å; E131-Y149 WeakPolarHBondContact OE2-CE1 2.81Å; E131-Y149 PolarHBondContact OE2-OH 3.47Å; K147-Y149 HydrophobicContact CD-CE2 4.35Å; K147-Y149 WeakPolarHBondContact CD-OH 3.47Å; K147-Y149 HydrophobicContact CG-CE2 3.94Å; Y149-F221 VanDerWaalsContact O-CA 3.3Å; Y149-F221 WeakPolarHBondContact O-CA 3.35Å; Y149-F221 WeakPolarHBondContact O-CB 3.21Å; Y149-Y222 AromaticContact CD2-CD1 3.91Å; Y149-Y222 HydrophobicContact CD2-CD1 3.91Å; Y149-Y222 PolarHBondContact N-O 3.36Å; Y149-Y222 PolarHBondContact O-N 2.54Å; Y149-I224 HydrophobicContact CE2-CD1 4.11Å; Y149-I224 HydrophobicContact CE2-CG1 4.47Å
150L97.8Very high94.8Very high0 Ų047 Ų470%025%0.247CC..EExtended strand (participates in β ladder)trans-129.7145.9-179.8-57.8107.1000110.9I129 Y130 L132 I148 V155 L171 F221I129-L150 WeakPolarHBondContact CA-O 3.49Å; Y130-L150 PolarHBondContact N-O 3.08Å; Y130-L150 PolarHBondContact O-N 3.12Å; L132-L150 HydrophobicContact CB-CD1 4.32Å; L132-L150 HydrophobicContact CD2-CD1 4.46Å; I148-L150 HydrophobicContact CB-CD1 4.31Å; I148-L150 HydrophobicContact CG2-CD1 3.58Å; I148-L150 HydrophobicContact CG2-CG 3.97Å; L150-V155 HydrophobicContact CB-CG1 4Å; L150-V155 HydrophobicContact CD1-CG1 4.19Å; L150-V155 HydrophobicContact CD2-CG1 4.18Å; L150-V155 HydrophobicContact CG-CG1 4.35Å; L150-L171 HydrophobicContact CD2-CD1 4.33Å; L150-L171 HydrophobicContact CD2-CD2 3.95Å; L150-F221 HydrophobicContact CD2-CB 3.79Å; L150-F221 HydrophobicContact CG-CB 3.75Å
151S94.9Very high95.3Very high22 Ų2245.9 Ų45.915%0.15424%0.237CC..EExtended strand (participates in β ladder)trans-59.5143.1163.81770000110.6F153 Y154S151-F153 PolarHBondContact O-N 3.26Å; S151-F153 VanDerWaalsContact O-N 3.07Å; S151-F153 PolarHBondContact OG-N 2.96Å; S151-Y154 PolarHBondContact O-N 2.91Å; S151-Y154 VanDerWaalsContact O-N 3.09Å
152E95Very high95.5Very high48 Ų4847.2 Ų47.222%0.22425%0.246CC..Hα-helixtrans-53-29.5172.8-177.7169.6-98.100112.6P128 Y130 Y154 V155 K156P128-E152 HydrophobicContact CB-CB 3.78Å; P128-E152 HydrophobicContact CB-CG 4.44Å; P128-E152 WeakPolarHBondContact O-CB 3.42Å; P128-E152 PolarHBondContact O-N 3.34Å; Y130-E152 HydrophobicContact CD2-CB 4.13Å; Y130-E152 HydrophobicContact CE2-CB 3.71Å; Y130-E152 HydrophobicContact CE2-CG 3.71Å; Y130-E152 WeakPolarHBondContact CE2-OE1 3.31Å; Y130-E152 PolarHBondContact OH-OE1 3.21Å; E152-Y154 PolarHBondContact O-N 3.12Å; E152-V155 PolarHBondContact O-N 3.28Å; E152-K156 HydrophobicContact CG-CB 4.11Å; E152-K156 HydrophobicContact CG-CG 4.5Å; E152-K156 WeakPolarHBondContact O-CA 3.23Å; E152-K156 VanDerWaalsContact O-CB 3.26Å; E152-K156 WeakPolarHBondContact O-CB 3.36Å; E152-K156 PolarHBondContact O-N 3.03Å
153F93.9Very high95.6Very high138 Ų13846.9 Ų46.961%0.60524%0.243SC*.Hα-helixtrans-48.7-45.1175.6177.3-99.7000112.7S151 K174S151-F153 PolarHBondContact O-N 3.26Å; S151-F153 VanDerWaalsContact O-N 3.07Å; S151-F153 PolarHBondContact OG-N 2.96Å; F153-K174 PolarHBondContact O-NZ 2.99Å
154Y94.9Very high95.7Very high16 Ų1649.9 Ų49.96%0.06327%0.265CS..Hα-helixtrans-78.4-26.4-178-62.1-68.3000113.2S151 E152 L171 K174 T175 I220S151-Y154 PolarHBondContact O-N 2.91Å; S151-Y154 VanDerWaalsContact O-N 3.09Å; E152-Y154 PolarHBondContact O-N 3.12Å; Y154-L171 HydrophobicContact CD1-CD2 4.33Å; Y154-L171 HydrophobicContact CG-CD2 4.27Å; Y154-K174 PolarHBondContact O-NZ 3.06Å; Y154-T175 HydrophobicContact CD1-CG2 4.34Å; Y154-T175 HydrophobicContact CE1-CG2 3.69Å; Y154-I220 HydrophobicContact CD1-CG2 4.18Å; Y154-I220 HydrophobicContact CD2-CG2 4.23Å; Y154-I220 WeakPolarHBondContact CD2-O 3.3Å; Y154-I220 HydrophobicContact CE1-CG2 4.02Å; Y154-I220 HydrophobicContact CE2-CB 4.39Å; Y154-I220 HydrophobicContact CE2-CG2 4.07Å; Y154-I220 HydrophobicContact CG-CG2 4.29Å
155V94.8Very high95.6Very high3 Ų351.5 Ų51.52%0.01828%0.282CS..Hα-helixtrans-115.9-0.3-170.3-58.80000115.3F107 Y130 L150 E152 G157 L158 F163F107-V155 HydrophobicContact CE2-CB 4.37Å; F107-V155 HydrophobicContact CE2-CG2 4.42Å; F107-V155 HydrophobicContact CZ-CB 4.08Å; F107-V155 HydrophobicContact CZ-CG2 4.19Å; Y130-V155 HydrophobicContact CD1-CG2 4.38Å; Y130-V155 HydrophobicContact CD2-CG2 3.61Å; Y130-V155 HydrophobicContact CE2-CG2 4.23Å; Y130-V155 HydrophobicContact CG-CG2 3.71Å; L150-V155 HydrophobicContact CB-CG1 4Å; L150-V155 HydrophobicContact CD1-CG1 4.19Å; L150-V155 HydrophobicContact CD2-CG1 4.18Å; L150-V155 HydrophobicContact CG-CG1 4.35Å; E152-V155 PolarHBondContact O-N 3.28Å; V155-G157 PolarHBondContact O-N 3.31Å; V155-L158 HydrophobicContact CB-CD1 4.47Å; V155-L158 VanDerWaalsContact O-CB 3.31Å; V155-L158 WeakPolarHBondContact O-CB 3.44Å; V155-L158 WeakPolarHBondContact O-CG 3.48Å; V155-L158 PolarHBondContact O-N 2.8Å; V155-F163 HydrophobicContact CB-CZ 4.13Å; V155-F163 HydrophobicContact CG1-CE1 4.11Å; V155-F163 HydrophobicContact CG1-CZ 3.83Å
156K93.3Very high95.4Very high151 Ų15152.7 Ų52.766%0.65729%0.29SS*.THydrogen-bonded Turntrans-55.5126-179.6-173.3171.6-176.9171.30111.3E152 L158E152-K156 HydrophobicContact CG-CB 4.11Å; E152-K156 HydrophobicContact CG-CG 4.5Å; E152-K156 WeakPolarHBondContact O-CA 3.23Å; E152-K156 VanDerWaalsContact O-CB 3.26Å; E152-K156 WeakPolarHBondContact O-CB 3.36Å; E152-K156 PolarHBondContact O-N 3.03Å; K156-L158 VanDerWaalsContact C-N 3.3Å
157G93.6Very high95.3Very high75 Ų7552.2 Ų52.277%0.77329%0.288SS*.THydrogen-bonded Turntrans85.3-6.2179.500000115V155V155-G157 PolarHBondContact O-N 3.31Å
158L95.5Very high95.1Very high44 Ų4450.3 Ų50.323%0.2328%0.28CS..  trans-84.8156.3176.7-56-177000111.6V155 K156 D162 F163 L170V155-L158 HydrophobicContact CB-CD1 4.47Å; V155-L158 VanDerWaalsContact O-CB 3.31Å; V155-L158 WeakPolarHBondContact O-CB 3.44Å; V155-L158 WeakPolarHBondContact O-CG 3.48Å; V155-L158 PolarHBondContact O-N 2.8Å; K156-L158 VanDerWaalsContact C-N 3.3Å; L158-D162 WeakPolarHBondContact CA-OD2 3.46Å; L158-D162 HydrophobicContact CB-CB 4.35Å; L158-D162 HydrophobicContact CD2-CB 4.3Å; L158-F163 HydrophobicContact CB-CE2 4.05Å; L158-F163 HydrophobicContact CB-CZ 3.87Å; L158-F163 HydrophobicContact CD1-CE1 3.98Å; L158-F163 HydrophobicContact CD1-CZ 3.73Å; L158-F163 HydrophobicContact CG-CZ 4.48Å; L158-L170 HydrophobicContact CD1-CD1 4.45Å; L158-L170 HydrophobicContact CD1-CD2 3.93Å; L158-L170 HydrophobicContact CD1-CG 4.34Å
159K96Very high94.8Very high138 Ų13857.1 Ų57.160%0.631%0.309SS*.  trans-122.2171176-60.2177.7-177173.80110E161 D162 F163K159-E161 WeakPolarHBondContact CB-OE2 3.39Å; K159-E161 PolarHBondContact O-N 3.44Å; K159-E161 VanDerWaalsContact O-N 3.15Å; K159-D162 PolarHBondContact N-OD2 2.78Å; K159-D162 WeakPolarHBondContact O-CB 3.35Å; K159-D162 PolarHBondContact O-N 3.5Å; K159-D162 VanDerWaalsContact O-N 3.12Å; K159-F163 WeakPolarHBondContact O-CD2 3.37Å; K159-F163 WeakPolarHBondContact O-CE2 2.83Å
160A95.5Very high94.6Very high35 Ų3558 Ų5829%0.28932%0.315SS..G310 helixtrans-54.5-36.2-178.500000112.5V104 F107 D162 F163V104-A160 HydrophobicContact CG1-CB 4.13Å; V104-A160 WeakPolarHBondContact CG2-O 3.25Å; F107-A160 HydrophobicContact CB-CB 4.1Å; A160-D162 VanDerWaalsContact C-N 3.28Å; A160-D162 PolarHBondContact O-N 3.27Å; A160-F163 PolarHBondContact O-N 3.43Å
161E95.8Very high94.5Very high131 Ų13158.2 Ų58.261%0.61232%0.316SS*.G310 helixtrans-65.6-29.5-177.3-57.776.9-160.200113.1K159 F163 S164K159-E161 WeakPolarHBondContact CB-OE2 3.39Å; K159-E161 PolarHBondContact O-N 3.44Å; K159-E161 VanDerWaalsContact O-N 3.15Å; E161-F163 PolarHBondContact O-N 2.92Å; E161-S164 WeakPolarHBondContact O-CB 3.26Å; E161-S164 PolarHBondContact O-N 2.73Å; E161-S164 PolarHBondContact O-OG 2.79Å
162D95.7Very high94.5Very high77 Ų7761.9 Ų61.941%0.41233%0.331SS..G310 helixtrans-66.5-23.8-179.9-60.4-49000111.7L158 K159 A160 S164L158-D162 WeakPolarHBondContact CA-OD2 3.46Å; L158-D162 HydrophobicContact CB-CB 4.35Å; L158-D162 HydrophobicContact CD2-CB 4.3Å; K159-D162 PolarHBondContact N-OD2 2.78Å; K159-D162 WeakPolarHBondContact O-CB 3.35Å; K159-D162 PolarHBondContact O-N 3.5Å; K159-D162 VanDerWaalsContact O-N 3.12Å; A160-D162 VanDerWaalsContact C-N 3.28Å; A160-D162 PolarHBondContact O-N 3.27Å; D162-S164 VanDerWaalsContact C-N 3.34Å; D162-S164 PolarHBondContact O-N 2.94Å
163F96Very high94.3Very high2 Ų266.8 Ų66.81%0.00935%0.354CS..G310 helixtrans-906.4-178.8-57.4-72.4000114.4V104 F107 L132 R134 V155 L158 K159 A160 E161 G165 L167 L170V104-F163 HydrophobicContact CG2-CB 4Å; F107-F163 HydrophobicContact CD1-CD2 4.39Å; F107-F163 AromaticContact CD1-CE2 3.85Å; F107-F163 HydrophobicContact CD1-CE2 3.85Å; F107-F163 HydrophobicContact CD2-CD2 4.23Å; F107-F163 AromaticContact CD2-CE2 3.73Å; F107-F163 HydrophobicContact CD2-CE2 3.73Å; F107-F163 HydrophobicContact CD2-CZ 4.33Å; F107-F163 AromaticContact CE1-CE2 3.7Å; F107-F163 HydrophobicContact CE1-CE2 3.7Å; F107-F163 HydrophobicContact CE1-CZ 4.41Å; F107-F163 HydrophobicContact CE2-CD2 4.48Å; F107-F163 AromaticContact CE2-CE2 3.57Å; F107-F163 HydrophobicContact CE2-CE2 3.57Å; F107-F163 AromaticContact CE2-CZ 3.8Å; F107-F163 HydrophobicContact CE2-CZ 3.8Å; F107-F163 HydrophobicContact CG-CD2 4.18Å; F107-F163 AromaticContact CG-CE2 3.87Å; F107-F163 HydrophobicContact CG-CE2 3.87Å; F107-F163 AromaticContact CZ-CE2 3.55Å; F107-F163 HydrophobicContact CZ-CE2 3.55Å; F107-F163 AromaticContact CZ-CZ 3.86Å; F107-F163 HydrophobicContact CZ-CZ 3.86Å; L132-F163 HydrophobicContact CD1-CB 3.78Å; L132-F163 HydrophobicContact CD1-CD1 4.45Å; L132-F163 HydrophobicContact CD1-CD2 3.9Å; L132-F163 HydrophobicContact CD1-CG 3.78Å; L132-F163 HydrophobicContact CD2-CB 3.97Å; L132-F163 HydrophobicContact CD2-CD1 3.48Å; L132-F163 VanDerWaalsContact CD2-CD1 3.48Å; L132-F163 HydrophobicContact CD2-CD2 4.36Å; L132-F163 HydrophobicContact CD2-CE1 4.02Å; L132-F163 HydrophobicContact CD2-CG 3.67Å; L132-F163 HydrophobicContact CG-CG 4.39Å; R134-F163 PolarHBondContact NH1-O 3.17Å; V155-F163 HydrophobicContact CB-CZ 4.13Å; V155-F163 HydrophobicContact CG1-CE1 4.11Å; V155-F163 HydrophobicContact CG1-CZ 3.83Å; L158-F163 HydrophobicContact CB-CE2 4.05Å; L158-F163 HydrophobicContact CB-CZ 3.87Å; L158-F163 HydrophobicContact CD1-CE1 3.98Å; L158-F163 HydrophobicContact CD1-CZ 3.73Å; L158-F163 HydrophobicContact CG-CZ 4.48Å; K159-F163 WeakPolarHBondContact O-CD2 3.37Å; K159-F163 WeakPolarHBondContact O-CE2 2.83Å; A160-F163 PolarHBondContact O-N 3.43Å; E161-F163 PolarHBondContact O-N 2.92Å; F163-G165 PolarHBondContact O-N 2.87Å; F163-L167 HydrophobicContact CD1-CD1 4.19Å; F163-L167 HydrophobicContact CE1-CD1 4.37Å; F163-L170 HydrophobicContact CD1-CD2 3.77Å; F163-L170 HydrophobicContact CE1-CD2 3.75Å
164S94.2Very high94.2Very high68 Ų6864.9 Ų64.948%0.47635%0.345SS..G310 helixtrans-70.7-18.5174.761.60000113.4T102 E161 D162T102-S164 WeakPolarHBondContact CB-O 3.32Å; T102-S164 PolarHBondContact OG1-O 3.1Å; E161-S164 WeakPolarHBondContact O-CB 3.26Å; E161-S164 PolarHBondContact O-N 2.73Å; E161-S164 PolarHBondContact O-OG 2.79Å; D162-S164 VanDerWaalsContact C-N 3.34Å; D162-S164 PolarHBondContact O-N 2.94Å
165G92.2Very high94.1Very high35 Ų3565.5 Ų65.536%0.36135%0.351SS..SBendtrans-90-153.3177.900000115.1R136 F163R136-G165 PolarHBondContact NH1-O 2.93Å; F163-G165 PolarHBondContact O-N 2.87Å
166S92.9Very high93.9Very high28 Ų2871.3 Ų71.320%0.19638%0.378CS..  trans-77.9125170.3176.90000109.6F168 K169 L170S166-F168 PolarHBondContact OG-N 2.75Å; S166-K169 PolarHBondContact OG-N 3.02Å; S166-L170 PolarHBondContact O-N 2.87Å
167L94.8Very high93.8Very high5 Ų565.2 Ų65.23%0.02635%0.352CS..Hα-helixtrans-67.4-39.7175.2179.760.5000111.7I148 F163 K169 L170 L171I148-L167 HydrophobicContact CD1-CD2 3.72Å; I148-L167 HydrophobicContact CG2-CD2 4.41Å; F163-L167 HydrophobicContact CD1-CD1 4.19Å; F163-L167 HydrophobicContact CE1-CD1 4.37Å; L167-K169 PolarHBondContact O-N 2.84Å; L167-L170 WeakPolarHBondContact O-CB 3.42Å; L167-L170 PolarHBondContact O-N 3.06Å; L167-L170 VanDerWaalsContact O-N 3.16Å; L167-L171 HydrophobicContact CD1-CD1 3.89Å; L167-L171 HydrophobicContact CD1-CD2 4.4Å; L167-L171 HydrophobicContact CD1-CG 3.91Å; L167-L171 HydrophobicContact CD2-CD1 4.25Å; L167-L171 HydrophobicContact CG-CD1 3.65Å; L167-L171 HydrophobicContact CG-CG 4.12Å; L167-L171 WeakPolarHBondContact O-CG 3.15Å; L167-L171 PolarHBondContact O-N 2.86Å
168F93.5Very high93.1Very high22 Ų2263.5 Ų63.510%0.09633%0.33CS..Hα-helixtrans-62.7-48.6-176.9-78.622.3000110.2L86 S166 L170 L171 E172 I177 F221L86-F168 HydrophobicContact CD1-CE2 4.18Å; L86-F168 HydrophobicContact CD1-CZ 4.12Å; L86-F168 HydrophobicContact CG-CE2 4.05Å; L86-F168 HydrophobicContact CG-CZ 4.42Å; S166-F168 PolarHBondContact OG-N 2.75Å; F168-L170 PolarHBondContact O-N 3.09Å; F168-L171 PolarHBondContact O-N 2.8Å; F168-E172 WeakPolarHBondContact O-CB 3.36Å; F168-E172 VanDerWaalsContact O-CG 3.26Å; F168-E172 WeakPolarHBondContact O-CG 3.45Å; F168-E172 PolarHBondContact O-N 3.03Å; F168-I177 HydrophobicContact CB-CD1 3.77Å; F168-I177 HydrophobicContact CD1-CD1 3.88Å; F168-I177 HydrophobicContact CD2-CD1 3.86Å; F168-I177 HydrophobicContact CE1-CD1 4.43Å; F168-I177 HydrophobicContact CE2-CD1 4.4Å; F168-I177 HydrophobicContact CG-CD1 3.57Å; F168-F221 AromaticContact CE1-CE1 3.92Å; F168-F221 HydrophobicContact CE1-CE1 3.92Å; F168-F221 AromaticContact CE1-CZ 3.7Å; F168-F221 HydrophobicContact CE1-CZ 3.7Å; F168-F221 HydrophobicContact CZ-CZ 4.3Å
169K93.1Very high92.6Very high144 Ų14465.7 Ų65.763%0.62634%0.336SS*.Hα-helixtrans-55.4-38.5175.6-173.7178.7177.5-176.10112.8S166 L167S166-K169 PolarHBondContact OG-N 3.02Å; L167-K169 PolarHBondContact O-N 2.84Å
170L94.4Very high92.3Very high37 Ų3760.4 Ų60.419%0.19432%0.317CS..Hα-helixtrans-71.3-37.4178.8-17769.1000112.2L158 F163 S166 L167 F168L158-L170 HydrophobicContact CD1-CD1 4.45Å; L158-L170 HydrophobicContact CD1-CD2 3.93Å; L158-L170 HydrophobicContact CD1-CG 4.34Å; F163-L170 HydrophobicContact CD1-CD2 3.77Å; F163-L170 HydrophobicContact CE1-CD2 3.75Å; S166-L170 PolarHBondContact O-N 2.87Å; L167-L170 WeakPolarHBondContact O-CB 3.42Å; L167-L170 PolarHBondContact O-N 3.06Å; L167-L170 VanDerWaalsContact O-N 3.16Å; F168-L170 PolarHBondContact O-N 3.09Å
171L94.7Very high92Very high3 Ų364.1 Ų64.12%0.01633%0.328CS..Hα-helixtrans-76.2-34.7178-67.2173.5000112.3L150 Y154 L167 F168 E173 K174 T175 I177 I220 F221L150-L171 HydrophobicContact CD2-CD1 4.33Å; L150-L171 HydrophobicContact CD2-CD2 3.95Å; Y154-L171 HydrophobicContact CD1-CD2 4.33Å; Y154-L171 HydrophobicContact CG-CD2 4.27Å; L167-L171 HydrophobicContact CD1-CD1 3.89Å; L167-L171 HydrophobicContact CD1-CD2 4.4Å; L167-L171 HydrophobicContact CD1-CG 3.91Å; L167-L171 HydrophobicContact CD2-CD1 4.25Å; L167-L171 HydrophobicContact CG-CD1 3.65Å; L167-L171 HydrophobicContact CG-CG 4.12Å; L167-L171 WeakPolarHBondContact O-CG 3.15Å; L167-L171 PolarHBondContact O-N 2.86Å; F168-L171 PolarHBondContact O-N 2.8Å; L171-E173 PolarHBondContact O-N 2.81Å; L171-K174 WeakPolarHBondContact O-CA 3.46Å; L171-K174 PolarHBondContact O-N 2.6Å; L171-T175 PolarHBondContact O-N 2.81Å; L171-I177 HydrophobicContact CB-CD1 4.41Å; L171-I220 HydrophobicContact CD1-CG2 3.88Å; L171-I220 HydrophobicContact CD2-CG2 4.23Å; L171-F221 HydrophobicContact CD1-CD1 3.68Å; L171-F221 HydrophobicContact CD1-CE1 3.91Å
172E94Very high91.9Very high100 Ų10062 Ų6247%0.46732%0.318SS..THydrogen-bonded Turntrans-63.3-18177.4-75.8171.9161.900113.6F168 K174 T175 I177F168-E172 WeakPolarHBondContact O-CB 3.36Å; F168-E172 VanDerWaalsContact O-CG 3.26Å; F168-E172 WeakPolarHBondContact O-CG 3.45Å; F168-E172 PolarHBondContact O-N 3.03Å; E172-K174 PolarHBondContact O-N 3.39Å; E172-T175 VanDerWaalsContact CA-O 3.25Å; E172-T175 WeakPolarHBondContact CA-O 3.42Å; E172-I177 HydrophobicContact CG-CD1 4.02Å; E172-I177 HydrophobicContact CG-CG1 4.18Å
173E92.7Very high91.7Very high151 Ų15164.7 Ų64.771%0.70633%0.328SS*.THydrogen-bonded Turntrans-67.1-18.3168.6-66.5-179.9-178.300112.9L171L171-E173 PolarHBondContact O-N 2.81Å
174K90.6Very high91.6Very high97 Ų9767.9 Ų67.942%0.42235%0.347SS..THydrogen-bonded Turntrans-119.2-29.1-175.6-63.5-177.1177.5-178.10113.9F153 Y154 L171 E172F153-K174 PolarHBondContact O-NZ 2.99Å; Y154-K174 PolarHBondContact O-NZ 3.06Å; L171-K174 WeakPolarHBondContact O-CA 3.46Å; L171-K174 PolarHBondContact O-N 2.6Å; E172-K174 PolarHBondContact O-N 3.39Å
175T92.4Very high91.7Very high30 Ų3069.2 Ų69.218%0.18435%0.346CS..SBendtrans-156.5148-175-167.40000111.5Y154 L171 E172 A214 I220Y154-T175 HydrophobicContact CD1-CG2 4.34Å; Y154-T175 HydrophobicContact CE1-CG2 3.69Å; L171-T175 PolarHBondContact O-N 2.81Å; E172-T175 VanDerWaalsContact CA-O 3.25Å; E172-T175 WeakPolarHBondContact CA-O 3.42Å; T175-A214 WeakPolarHBondContact OG1-CB 3.39Å; T175-I220 HydrophobicContact CG2-CD1 3.67Å; T175-I220 HydrophobicContact CG2-CG1 4.07Å; T175-I220 HydrophobicContact CG2-CG2 4.32Å
176E90.3Very high91.8Very high125 Ų12571.5 Ų71.558%0.58436%0.362SS*.  trans-80.8127.5174.7-171.7171.8160.900110.6A214 L215E176-A214 VanDerWaalsContact O-CA 3.28Å; E176-A214 WeakPolarHBondContact O-CA 3.48Å; E176-L215 HydrophobicContact CB-CD1 4.08Å; E176-L215 HydrophobicContact CB-CG 4.23Å; E176-L215 HydrophobicContact CG-CD1 4.05Å; E176-L215 HydrophobicContact CG-CG 4.19Å; E176-L215 WeakPolarHBondContact OE2-CD1 3.33Å
177I91.4Very high92Very high23 Ų2372 Ų7212%0.11836%0.362CS..EExtended strand (participates in β ladder)trans-82.2117.5177.5-61.5174.2000108.8L86 F168 L171 E172 T212 I220L86-I177 HydrophobicContact CD2-CG2 3.63Å; F168-I177 HydrophobicContact CB-CD1 3.77Å; F168-I177 HydrophobicContact CD1-CD1 3.88Å; F168-I177 HydrophobicContact CD2-CD1 3.86Å; F168-I177 HydrophobicContact CE1-CD1 4.43Å; F168-I177 HydrophobicContact CE2-CD1 4.4Å; F168-I177 HydrophobicContact CG-CD1 3.57Å; L171-I177 HydrophobicContact CB-CD1 4.41Å; E172-I177 HydrophobicContact CG-CD1 4.02Å; E172-I177 HydrophobicContact CG-CG1 4.18Å; I177-T212 HydrophobicContact CG2-CG2 3.63Å; I177-I220 HydrophobicContact CG1-CD1 3.97Å
178A78.8Confident92.1Very high38 Ų3877.5 Ų77.531%0.31439%0.39SS..EExtended strand (participates in β ladder)trans-98.5-60.1-173.500000113Y213 L215A178-Y213 PolarHBondContact N-O 3.13Å; A178-L215 HydrophobicContact CB-CD2 3.86Å; A178-L215 HydrophobicContact CB-CG 4.23Å
179Y84.8Confident92.1Very high91 Ų9176.8 Ų76.836%0.35739%0.388SS..EExtended strand (participates in β ladder)trans-151.9168-175.565.3-86.6000112.1H181 T212 Y213Y179-H181 AromaticContact CE2-NE2 3.58Å; Y179-T212 WeakPolarHBondContact O-CA 3.18Å; Y179-Y213 AromaticContact CD2-CD2 3.78Å; Y179-Y213 HydrophobicContact CD2-CD2 3.78Å; Y179-Y213 HydrophobicContact CD2-CG 4.35Å; Y179-Y213 HydrophobicContact CE1-CG 4.36Å; Y179-Y213 AromaticContact CE2-CD2 3.32Å; Y179-Y213 HydrophobicContact CE2-CD2 3.32Å; Y179-Y213 AromaticContact CE2-CE2 3.92Å; Y179-Y213 HydrophobicContact CE2-CE2 3.92Å; Y179-Y213 AromaticContact CE2-CG 3.68Å; Y179-Y213 HydrophobicContact CE2-CG 3.68Å; Y179-Y213 AromaticContact CZ-CD2 3.86Å; Y179-Y213 AromaticContact CZ-CG 3.69Å; Y179-Y213 PolarHBondContact N-O 3.13Å; Y179-Y213 PolarHBondContact O-N 3.34Å
180S91.2Very high92.1Very high27 Ų2777.4 Ų77.419%0.18939%0.391CS..EExtended strand (participates in β ladder)trans-139.3133.9178.2-168.80000110.4V211 T212S180-V211 CarbonylContact C-O 3.15Å; S180-V211 VanDerWaalsContact CA-O 3.25Å; S180-V211 WeakPolarHBondContact CA-O 3.38Å; S180-V211 PolarHBondContact OG-O 2.79Å; S180-T212 PolarHBondContact OG-OG1 2.73Å
181H88.7Confident92Very high113 Ų11380.5 Ų80.552%0.52341%0.407SS..EExtended strand (participates in β ladder)trans-91.8132.4168.4-70.7-48.2000109Y179 S210 V211 Y213Y179-H181 AromaticContact CE2-NE2 3.58Å; H181-S210 CarbonylContact O-C 3.59Å; H181-S210 WeakPolarHBondContact O-CA 3.3Å; H181-V211 PolarHBondContact N-O 2.8Å; H181-V211 PolarHBondContact O-N 2.95Å; H181-Y213 HydrophobicContact CB-CE2 4.47Å; H181-Y213 AromaticContact CD2-CE2 3.46Å; H181-Y213 VanDerWaalsContact CD2-CE2 3.46Å; H181-Y213 WeakPolarHBondContact CD2-CE2 3.45Å; H181-Y213 AromaticContact CD2-CZ 3.98Å
182Q92.6Very high91.9Very high86 Ų8687.2 Ų87.240%0.40244%0.438SS..EExtended strand (participates in β ladder)trans-128.8134.7-177.3-51.3-164.7-63.100111.8V208 Y209 S210Q182-V208 HydrophobicContact CB-CG1 4.19Å; Q182-Y209 CarbonylContact C-O 3.57Å; Q182-Y209 VanDerWaalsContact CA-O 3.23Å; Q182-Y209 WeakPolarHBondContact CA-O 3.5Å; Q182-S210 WeakPolarHBondContact CG-OG 3.44Å; Q182-S210 PolarHBondContact NE2-OG 3.23Å
183E93Very high92Very high133 Ų13383.3 Ų83.362%0.62142%0.42SS*.EExtended strand (participates in β ladder)trans-114.1132.2166.3-59.6-173.4167.400108.8V208 Y209E183-V208 CarbonylContact O-C 3.59Å; E183-V208 VanDerWaalsContact O-CA 3.23Å; E183-V208 WeakPolarHBondContact O-CA 3.23Å; E183-Y209 PolarHBondContact N-O 3.12Å; E183-Y209 PolarHBondContact O-N 3.45Å
184V93.8Very high92.1Very high69 Ų6977.2 Ų77.242%0.41839%0.394SS..EExtended strand (participates in β ladder)trans-119.1124.9-174.4-1770000109.8L206 Q207 V208 F234V184-L206 HydrophobicContact CG1-CB 4.46Å; V184-Q207 WeakPolarHBondContact CA-O 3.43Å; V184-V208 HydrophobicContact CB-CG2 4.49Å; V184-V208 HydrophobicContact CG1-CG2 4.16Å; V184-V208 HydrophobicContact CG2-CG1 4.12Å; V184-V208 HydrophobicContact CG2-CG2 4.09Å; V184-F234 HydrophobicContact CG1-CD2 4.39Å; V184-F234 HydrophobicContact CG2-CD1 3.97Å; V184-F234 HydrophobicContact CG2-CE1 4.41Å; V184-F234 HydrophobicContact CG2-CG 4.1Å
185E95.6Very high92.3Very high96 Ų9679.8 Ų79.845%0.44941%0.406SS..EExtended strand (participates in β ladder)trans-123.7152.6177.8-61.8-166.9162.500111.7L206 Q207 Y209E185-L206 CarbonylContact O-C 3.58Å; E185-L206 WeakPolarHBondContact O-CA 3.42Å; E185-Q207 PolarHBondContact N-O 3.18Å; E185-Q207 PolarHBondContact O-N 3.01Å; E185-Y209 HydrophobicContact CG-CE2 4.36Å
186A95.1Very high92.5Very high83 Ų8379.8 Ų79.869%0.68640%0.404SS*.EExtended strand (participates in β ladder)trans-97.7125.9170.100000109.8L205A186-L205 WeakPolarHBondContact CA-O 3.47Å
187I96.5Very high92.7Very high39 Ų3973.8 Ų73.820%0.238%0.376CS..EExtended strand (participates in β ladder)trans-124.9164.3176.967.9165.1000111.4L193 P204 L205 Q207 Y226I187-L193 HydrophobicContact CD1-CD1 4.31Å; I187-P204 CarbonylContact O-C 3.46Å; I187-P204 WeakPolarHBondContact O-CA 3.17Å; I187-L205 HydrophobicContact CG1-CB 3.94Å; I187-L205 PolarHBondContact N-O 3.15Å; I187-L205 PolarHBondContact O-N 3.24Å; I187-Q207 HydrophobicContact CD1-CB 4.11Å; I187-Q207 HydrophobicContact CG1-CB 4.19Å; I187-Q207 HydrophobicContact CG2-CB 4.02Å; I187-Q207 VanDerWaalsContact CG2-OE1 3.31Å; I187-Y226 HydrophobicContact CD1-CD1 3.7Å; I187-Y226 HydrophobicContact CD1-CE1 3.74Å
188L96.7Very high92.9Very high120 Ų12078.7 Ų78.763%0.62840%0.403SS*.EExtended strand (participates in β ladder)trans-91.2137.7170.6-59.2178.1000110.8K190 G202L188-K190 PolarHBondContact O-N 3.37Å; L188-G202 WeakPolarHBondContact CD2-O 3.47Å
189V94.2Very high93.6Very high7 Ų777.4 Ų77.44%0.04239%0.391CS..PPolyproline II helixtrans-56.4125.5175.4174.40000110.7L193 V199 P200 G202 D203 L205V189-L193 HydrophobicContact CG1-CB 4.5Å; V189-V199 HydrophobicContact CB-CG2 4.41Å; V189-V199 HydrophobicContact CG1-CG2 3.91Å; V189-V199 HydrophobicContact CG2-CB 4.41Å; V189-V199 HydrophobicContact CG2-CG2 3.53Å; V189-P200 WeakPolarHBondContact CB-O 3.29Å; V189-G202 PolarHBondContact O-N 2.78Å; V189-D203 HydrophobicContact CG2-CB 4.17Å; V189-D203 VanDerWaalsContact CG2-O 3.22Å; V189-D203 WeakPolarHBondContact CG2-O 3.25Å; V189-D203 PolarHBondContact N-O 3.27Å; V189-L205 HydrophobicContact CG2-CD1 3.73Å; V189-L205 HydrophobicContact CG2-CD2 3.96Å; V189-L205 HydrophobicContact CG2-CG 3.5Å
190K92.1Very high94Very high158 Ų15876.8 Ų76.869%0.68740%0.398SS*.PPolyproline II helixtrans-94.9164.6167.5-63.4177.7-177.1171.10110.9L188 E192 L193 S194L188-K190 PolarHBondContact O-N 3.37Å; K190-E192 VanDerWaalsContact C-N 3.29Å; K190-E192 PolarHBondContact O-N 3.3Å; K190-E192 VanDerWaalsContact O-N 3.15Å; K190-L193 PolarHBondContact O-N 3.32Å; K190-L193 VanDerWaalsContact O-N 3.16Å; K190-S194 WeakPolarHBondContact O-CB 3.36Å; K190-S194 PolarHBondContact O-N 3.28Å
191L92.6Very high94.2Very high102 Ų10281 Ų8153%0.53442%0.416SS..Hα-helixtrans-52.2-40.6-174.4-177.462.8000114.5K195 M201L191-K195 PolarHBondContact O-N 3.18Å; L191-M201 VanDerWaalsContact CA-SD 3.57Å; L191-M201 HydrophobicContact CB-SD 3.8Å; L191-M201 HydrophobicContact CD1-SD 4.09Å
192E93.2Very high94.3Very high144 Ų14477.8 Ų77.867%0.67341%0.413SS*.Hα-helixtrans-64.5-52.6179.2-175.5-179.3175.700111.5K190 S194 K195 L196K190-E192 VanDerWaalsContact C-N 3.29Å; K190-E192 PolarHBondContact O-N 3.3Å; K190-E192 VanDerWaalsContact O-N 3.15Å; E192-S194 VanDerWaalsContact C-N 3.3Å; E192-S194 PolarHBondContact O-N 3.4Å; E192-K195 PolarHBondContact O-N 3.34Å; E192-L196 HydrophobicContact CG-CD1 4.23Å; E192-L196 PolarHBondContact O-N 3.4Å; E192-L196 VanDerWaalsContact O-N 3.13Å
193L95.6Very high94.3Very high17 Ų1777.2 Ų77.29%0.08941%0.413CS..Hα-helixtrans-65.2-33177.9-68.3174.1000112.1V145 I187 V189 K190 K195 L196 L197 L205 Y226V145-L193 HydrophobicContact CB-CD2 4.26Å; V145-L193 HydrophobicContact CG1-CD2 4.4Å; V145-L193 HydrophobicContact CG2-CD2 4.44Å; I187-L193 HydrophobicContact CD1-CD1 4.31Å; V189-L193 HydrophobicContact CG1-CB 4.5Å; K190-L193 PolarHBondContact O-N 3.32Å; K190-L193 VanDerWaalsContact O-N 3.16Å; L193-K195 VanDerWaalsContact C-N 3.3Å; L193-K195 PolarHBondContact O-N 2.92Å; L193-L196 PolarHBondContact O-N 3.46Å; L193-L197 VanDerWaalsContact O-CB 3.31Å; L193-L197 WeakPolarHBondContact O-CB 3.2Å; L193-L197 PolarHBondContact O-N 3.07Å; L193-L205 HydrophobicContact CB-CD1 4.08Å; L193-L205 HydrophobicContact CD1-CD1 3.81Å; L193-L205 HydrophobicContact CG-CD1 4.49Å; L193-Y226 HydrophobicContact CD1-CD1 3.6Å; L193-Y226 HydrophobicContact CD1-CD2 4.47Å; L193-Y226 HydrophobicContact CD1-CE1 3.88Å; L193-Y226 HydrophobicContact CD1-CG 3.91Å; L193-Y226 HydrophobicContact CD2-CD1 4.44Å; L193-Y226 HydrophobicContact CD2-CD2 3.91Å; L193-Y226 HydrophobicContact CD2-CE2 4.44Å; L193-Y226 HydrophobicContact CD2-CG 3.91Å
194S95.7Very high94.4Very high23 Ų2374.1 Ų74.116%0.16140%0.404CS..Hα-helixtrans-56.4-44.7175177.40000111.6K190 E192 D198 V199K190-S194 WeakPolarHBondContact O-CB 3.36Å; K190-S194 PolarHBondContact O-N 3.28Å; E192-S194 VanDerWaalsContact C-N 3.3Å; E192-S194 PolarHBondContact O-N 3.4Å; S194-D198 WeakPolarHBondContact O-CA 3.46Å; S194-D198 PolarHBondContact O-N 3.25Å; S194-V199 WeakPolarHBondContact CA-O 3.34Å; S194-V199 VanDerWaalsContact CB-O 3.32Å; S194-V199 WeakPolarHBondContact CB-O 3.14Å; S194-V199 PolarHBondContact O-N 3Å; S194-V199 PolarHBondContact OG-O 3.33Å
195K94.5Very high94.5Very high152 Ų15270.9 Ų70.966%0.66139%0.385SS*.Hα-helixtrans-72.4-41.5178.7-67.3178.4-178.2-179.90112.5L191 E192 L193L191-K195 PolarHBondContact O-N 3.18Å; E192-K195 PolarHBondContact O-N 3.34Å; L193-K195 VanDerWaalsContact C-N 3.3Å; L193-K195 PolarHBondContact O-N 2.92Å
196L95.6Very high94.5Very high29 Ų2968 Ų6815%0.15237%0.373CS..Hα-helixtrans-69.9-40.5-179.5-68.8172.9000111.7I105 R135 P142 V145 E192 L193I105-L196 HydrophobicContact CD1-CD2 3.96Å; I105-L196 HydrophobicContact CG1-CD2 4.37Å; R135-L196 PolarHBondContact NE-O 3.02Å; R135-L196 PolarHBondContact NH2-O 3.31Å; P142-L196 WeakPolarHBondContact CB-O 3.43Å; V145-L196 HydrophobicContact CG1-CD1 4.29Å; V145-L196 HydrophobicContact CG2-CB 3.73Å; V145-L196 HydrophobicContact CG2-CD1 4.11Å; E192-L196 HydrophobicContact CG-CD1 4.23Å; E192-L196 PolarHBondContact O-N 3.4Å; E192-L196 VanDerWaalsContact O-N 3.13Å; L193-L196 PolarHBondContact O-N 3.46Å
197L95.8Very high94.6Very high0 Ų065 Ų650%034%0.344CS..Hα-helixtrans-94.7-4.1-176-69.3172.3000114V145 L193 V199 L205 R228V145-L197 HydrophobicContact CG2-CD2 3.84Å; V145-L197 HydrophobicContact CG2-CG 3.92Å; L193-L197 VanDerWaalsContact O-CB 3.31Å; L193-L197 WeakPolarHBondContact O-CB 3.2Å; L193-L197 PolarHBondContact O-N 3.07Å; L197-V199 VanDerWaalsContact C-N 3.34Å; L197-V199 HydrophobicContact CB-CG1 4.35Å; L197-V199 HydrophobicContact CB-CG2 3.8Å; L197-L205 HydrophobicContact CD1-CD1 3.73Å; L197-L205 HydrophobicContact CD1-CD2 3.77Å; L197-L205 HydrophobicContact CD1-CG 4.42Å; L197-R228 HydrophobicContact CB-CG 4.26Å; L197-R228 HydrophobicContact CD1-CG 4.49Å; L197-R228 HydrophobicContact CD2-CG 4.35Å
198D93.8Very high94.6Very high125 Ų12563.1 Ų63.167%0.66833%0.334SS*.THydrogen-bonded Turntrans52.451.3-174.3-165.628.9000112.1P142 S194P142-D198 HydrophobicContact CG-CB 4.24Å; S194-D198 WeakPolarHBondContact O-CA 3.46Å; S194-D198 PolarHBondContact O-N 3.25Å
199V93.9Very high94.6Very high11 Ų1159.8 Ų59.87%0.06731%0.314CS..  trans-128.3145.7-179.4-68.10000111.1V189 S194 L197 L205 R228V189-V199 HydrophobicContact CB-CG2 4.41Å; V189-V199 HydrophobicContact CG1-CG2 3.91Å; V189-V199 HydrophobicContact CG2-CB 4.41Å; V189-V199 HydrophobicContact CG2-CG2 3.53Å; S194-V199 WeakPolarHBondContact CA-O 3.34Å; S194-V199 VanDerWaalsContact CB-O 3.32Å; S194-V199 WeakPolarHBondContact CB-O 3.14Å; S194-V199 PolarHBondContact O-N 3Å; S194-V199 PolarHBondContact OG-O 3.33Å; L197-V199 VanDerWaalsContact C-N 3.34Å; L197-V199 HydrophobicContact CB-CG1 4.35Å; L197-V199 HydrophobicContact CB-CG2 3.8Å; V199-L205 HydrophobicContact CG2-CD2 4.41Å; V199-R228 HydrophobicContact CG1-CG 3.8Å
200P93.6Very high94.7Very high78 Ų7859.6 Ų59.651%0.50631%0.313SS..  trans-56.7143.9176.2-23.332.2000112.8V189 D203V189-P200 WeakPolarHBondContact CB-O 3.29Å; P200-D203 WeakPolarHBondContact CD-OD2 3.41Å; P200-D203 WeakPolarHBondContact CG-OD2 2.87Å; P200-D203 WeakPolarHBondContact O-CB 3.46Å; P200-D203 PolarHBondContact O-N 3.5Å
201M94.9Very high94.9Very high116 Ų11652.9 Ų52.957%0.57129%0.285SS*.THydrogen-bonded Turntrans-62.6140.7167.5-72.4-144.9-53.900110.5L191 D203L191-M201 VanDerWaalsContact CA-SD 3.57Å; L191-M201 HydrophobicContact CB-SD 3.8Å; L191-M201 HydrophobicContact CD1-SD 4.09Å; M201-D203 VanDerWaalsContact C-N 3.27Å
202G90.7Very high95Very high45 Ų4548.1 Ų48.146%0.46426%0.26SS..THydrogen-bonded Turntrans84.5-7.5-177.100000114.7L188 V189L188-G202 WeakPolarHBondContact CD2-O 3.47Å; V189-G202 PolarHBondContact O-N 2.78Å
203D93Very high94.8Very high74 Ų7442.6 Ų42.640%0.39623%0.234SC..  trans-69.4155.4168.6-81.515000110.6V189 P200 M201V189-D203 HydrophobicContact CG2-CB 4.17Å; V189-D203 VanDerWaalsContact CG2-O 3.22Å; V189-D203 WeakPolarHBondContact CG2-O 3.25Å; V189-D203 PolarHBondContact N-O 3.27Å; P200-D203 WeakPolarHBondContact CD-OD2 3.41Å; P200-D203 WeakPolarHBondContact CG-OD2 2.87Å; P200-D203 WeakPolarHBondContact O-CB 3.46Å; P200-D203 PolarHBondContact O-N 3.5Å; M201-D203 VanDerWaalsContact C-N 3.27Å
204P95.5Very high94.5Very high68 Ų6841.9 Ų41.944%0.44223%0.23SC..EExtended strand (participates in β ladder)trans-77.8138177.226.6-29000112.2I187 S229I187-P204 CarbonylContact O-C 3.46Å; I187-P204 WeakPolarHBondContact O-CA 3.17Å; P204-S229 VanDerWaalsContact O-CB 3.32Å; P204-S229 WeakPolarHBondContact O-CB 3.42Å; P204-S229 PolarHBondContact O-OG 3.1Å
205L96Very high93.6Very high2 Ų246.4 Ų46.41%0.0125%0.252CS..EExtended strand (participates in β ladder)trans-115.1156.8162.6-63.9175.4000109.9A186 I187 V189 L193 L197 V199 R228A186-L205 WeakPolarHBondContact CA-O 3.47Å; I187-L205 HydrophobicContact CG1-CB 3.94Å; I187-L205 PolarHBondContact N-O 3.15Å; I187-L205 PolarHBondContact O-N 3.24Å; V189-L205 HydrophobicContact CG2-CD1 3.73Å; V189-L205 HydrophobicContact CG2-CD2 3.96Å; V189-L205 HydrophobicContact CG2-CG 3.5Å; L193-L205 HydrophobicContact CB-CD1 4.08Å; L193-L205 HydrophobicContact CD1-CD1 3.81Å; L193-L205 HydrophobicContact CG-CD1 4.49Å; L197-L205 HydrophobicContact CD1-CD1 3.73Å; L197-L205 HydrophobicContact CD1-CD2 3.77Å; L197-L205 HydrophobicContact CD1-CG 4.42Å; V199-L205 HydrophobicContact CG2-CD2 4.41Å; L205-R228 HydrophobicContact CD2-CG 4.34Å
206L95.7Very high92.9Very high36 Ų3644.7 Ų44.719%0.18825%0.25CC..EExtended strand (participates in β ladder)trans-95.6114.2164.7-57.7174.5000107.7V184 E185 Y227 F234V184-L206 HydrophobicContact CG1-CB 4.46Å; E185-L206 CarbonylContact O-C 3.58Å; E185-L206 WeakPolarHBondContact O-CA 3.42Å; L206-Y227 PolarHBondContact N-O 3.34Å; L206-Y227 PolarHBondContact O-N 3.46Å; L206-F234 HydrophobicContact CD1-CD2 3.88Å; L206-F234 HydrophobicContact CD1-CE2 4.31Å
207Q97Very high92.1Very high18 Ų1845.4 Ų45.48%0.08426%0.26CS..EExtended strand (participates in β ladder)trans-90.1135169.4-177174.1-0.200108.5V184 E185 I187 Y209 I224 S225 Y226V184-Q207 WeakPolarHBondContact CA-O 3.43Å; E185-Q207 PolarHBondContact N-O 3.18Å; E185-Q207 PolarHBondContact O-N 3.01Å; I187-Q207 HydrophobicContact CD1-CB 4.11Å; I187-Q207 HydrophobicContact CG1-CB 4.19Å; I187-Q207 HydrophobicContact CG2-CB 4.02Å; I187-Q207 VanDerWaalsContact CG2-OE1 3.31Å; Q207-Y209 HydrophobicContact CG-CE2 4.04Å; Q207-Y209 PolarHBondContact NE2-OH 3.04Å; Q207-I224 HydrophobicContact CG-CG2 4.19Å; Q207-I224 VanDerWaalsContact NE2-CG2 3.29Å; Q207-S225 CarbonylContact C-O 3.55Å; Q207-S225 WeakPolarHBondContact CA-O 3.31Å; Q207-Y226 HydrophobicContact CB-CD1 4.21Å; Q207-Y226 HydrophobicContact CB-CE1 4.32Å; Q207-Y226 HydrophobicContact CG-CD1 4.06Å; Q207-Y226 HydrophobicContact CG-CE1 3.78Å
208V95.9Very high91.8Very high0 Ų048.2 Ų48.20%028%0.277CS..EExtended strand (participates in β ladder)trans-133.6120.4-174.8-173.90000109.1Q182 E183 V184 I224 S225 Y227 F234Q182-V208 HydrophobicContact CB-CG1 4.19Å; E183-V208 CarbonylContact O-C 3.59Å; E183-V208 VanDerWaalsContact O-CA 3.23Å; E183-V208 WeakPolarHBondContact O-CA 3.23Å; V184-V208 HydrophobicContact CB-CG2 4.49Å; V184-V208 HydrophobicContact CG1-CG2 4.16Å; V184-V208 HydrophobicContact CG2-CG1 4.12Å; V184-V208 HydrophobicContact CG2-CG2 4.09Å; V208-I224 WeakPolarHBondContact O-CA 3.15Å; V208-S225 PolarHBondContact N-O 2.78Å; V208-S225 PolarHBondContact O-N 2.86Å; V208-Y227 HydrophobicContact CB-CD2 4.24Å; V208-Y227 HydrophobicContact CB-CE2 3.8Å; V208-Y227 HydrophobicContact CG2-CD2 3.59Å; V208-Y227 HydrophobicContact CG2-CE2 3.58Å; V208-F234 HydrophobicContact CB-CZ 4.35Å; V208-F234 HydrophobicContact CG1-CE1 4.15Å; V208-F234 HydrophobicContact CG1-CZ 4.28Å; V208-F234 HydrophobicContact CG2-CD2 4.47Å; V208-F234 HydrophobicContact CG2-CE1 4.04Å; V208-F234 HydrophobicContact CG2-CE2 3.67Å; V208-F234 HydrophobicContact CG2-CZ 3.46Å; V208-F234 VanDerWaalsContact CG2-CZ 3.46Å
209Y96.9Very high91.8Very high50 Ų5042.6 Ų42.620%0.19625%0.248CC..EExtended strand (participates in β ladder)trans-92.5127.3171.9-59.1-86.2000107.5Q182 E183 E185 Q207 Y222 D223 I224Q182-Y209 CarbonylContact C-O 3.57Å; Q182-Y209 VanDerWaalsContact CA-O 3.23Å; Q182-Y209 WeakPolarHBondContact CA-O 3.5Å; E183-Y209 PolarHBondContact N-O 3.12Å; E183-Y209 PolarHBondContact O-N 3.45Å; E185-Y209 HydrophobicContact CG-CE2 4.36Å; Q207-Y209 HydrophobicContact CG-CE2 4.04Å; Q207-Y209 PolarHBondContact NE2-OH 3.04Å; Y209-Y222 HydrophobicContact CD1-CE2 4.46Å; Y209-Y222 WeakPolarHBondContact CD1-OH 3.39Å; Y209-D223 CarbonylContact C-O 3.43Å; Y209-D223 WeakPolarHBondContact CA-O 3.37Å; Y209-I224 HydrophobicContact CD1-CB 4.44Å; Y209-I224 HydrophobicContact CD1-CD1 4.34Å; Y209-I224 HydrophobicContact CD1-CG1 3.91Å; Y209-I224 HydrophobicContact CD1-CG2 4.02Å; Y209-I224 HydrophobicContact CE1-CD1 4.13Å; Y209-I224 HydrophobicContact CE1-CG1 4.14Å; Y209-I224 HydrophobicContact CE1-CG2 3.82Å
210S95.8Very high91.9Very high3 Ų342.1 Ų42.12%0.02124%0.244CC..EExtended strand (participates in β ladder)trans-136.4131-178.8-59.90000111.9H181 Q182 Y222 D223H181-S210 CarbonylContact O-C 3.59Å; H181-S210 WeakPolarHBondContact O-CA 3.3Å; Q182-S210 WeakPolarHBondContact CG-OG 3.44Å; Q182-S210 PolarHBondContact NE2-OG 3.23Å; S210-Y222 CarbonylContact O-C 3.59Å; S210-Y222 WeakPolarHBondContact O-CA 3.43Å; S210-Y222 WeakPolarHBondContact O-CD2 3.28Å; S210-D223 PolarHBondContact N-O 3.41Å; S210-D223 PolarHBondContact O-N 2.89Å
211V96.5Very high92.1Very high17 Ų1738.8 Ų38.810%0.10322%0.222CC..EExtended strand (participates in β ladder)trans-110.9122.5165.7-172.10000107.9A120 S180 H181 Y213 P219 Y222A120-V211 HydrophobicContact CB-CG2 3.98Å; A120-V211 WeakPolarHBondContact O-CG1 3.45Å; S180-V211 CarbonylContact C-O 3.15Å; S180-V211 VanDerWaalsContact CA-O 3.25Å; S180-V211 WeakPolarHBondContact CA-O 3.38Å; S180-V211 PolarHBondContact OG-O 2.79Å; H181-V211 PolarHBondContact N-O 2.8Å; H181-V211 PolarHBondContact O-N 2.95Å; V211-Y213 HydrophobicContact CB-CE2 3.71Å; V211-Y213 HydrophobicContact CG1-CD2 4.31Å; V211-Y213 HydrophobicContact CG1-CE1 3.97Å; V211-Y213 HydrophobicContact CG1-CE2 3.57Å; V211-Y213 WeakPolarHBondContact CG1-OH 3.41Å; V211-Y213 WeakPolarHBondContact O-CD2 3.35Å; V211-Y213 VanDerWaalsContact O-CE2 3.23Å; V211-Y213 WeakPolarHBondContact O-CE2 3.34Å; V211-P219 HydrophobicContact CG1-CB 4.04Å; V211-Y222 HydrophobicContact CG2-CD2 3.73Å; V211-Y222 HydrophobicContact CG2-CE2 4.3Å
212T95.2Very high92.3Very high2 Ų233.9 Ų33.91%0.01220%0.197CC..EExtended strand (participates in β ladder)trans-107.5134.1-178.7-58.60000110.2L86 I177 Y179 S180 I220 F221L86-T212 HydrophobicContact CD2-CG2 4.25Å; I177-T212 HydrophobicContact CG2-CG2 3.63Å; Y179-T212 WeakPolarHBondContact O-CA 3.18Å; S180-T212 PolarHBondContact OG-OG1 2.73Å; T212-I220 WeakPolarHBondContact O-CB 3.43Å; T212-I220 PolarHBondContact O-N 3.01Å; T212-F221 VanDerWaalsContact CB-CZ 3.43Å; T212-F221 HydrophobicContact CG2-CD1 4.5Å; T212-F221 HydrophobicContact CG2-CE1 3.75Å; T212-F221 HydrophobicContact CG2-CZ 3.87Å; T212-F221 PolarHBondContact N-O 3.35Å; T212-F221 VanDerWaalsContact OG1-CE2 3.28Å; T212-F221 WeakPolarHBondContact OG1-CE2 3.38Å; T212-F221 WeakPolarHBondContact OG1-CZ 3.42Å
213Y89.7Confident92.6Very high29 Ų2932.3 Ų32.311%0.11418%0.178CC..EExtended strand (participates in β ladder)trans-119151.5-168.7-61.4-94.5000112.4A178 Y179 H181 V211 A217 T218 P219A178-Y213 PolarHBondContact N-O 3.13Å; Y179-Y213 AromaticContact CD2-CD2 3.78Å; Y179-Y213 HydrophobicContact CD2-CD2 3.78Å; Y179-Y213 HydrophobicContact CD2-CG 4.35Å; Y179-Y213 HydrophobicContact CE1-CG 4.36Å; Y179-Y213 AromaticContact CE2-CD2 3.32Å; Y179-Y213 HydrophobicContact CE2-CD2 3.32Å; Y179-Y213 AromaticContact CE2-CE2 3.92Å; Y179-Y213 HydrophobicContact CE2-CE2 3.92Å; Y179-Y213 AromaticContact CE2-CG 3.68Å; Y179-Y213 HydrophobicContact CE2-CG 3.68Å; Y179-Y213 AromaticContact CZ-CD2 3.86Å; Y179-Y213 AromaticContact CZ-CG 3.69Å; Y179-Y213 PolarHBondContact N-O 3.13Å; Y179-Y213 PolarHBondContact O-N 3.34Å; H181-Y213 HydrophobicContact CB-CE2 4.47Å; H181-Y213 AromaticContact CD2-CE2 3.46Å; H181-Y213 VanDerWaalsContact CD2-CE2 3.46Å; H181-Y213 WeakPolarHBondContact CD2-CE2 3.45Å; H181-Y213 AromaticContact CD2-CZ 3.98Å; V211-Y213 HydrophobicContact CB-CE2 3.71Å; V211-Y213 HydrophobicContact CG1-CD2 4.31Å; V211-Y213 HydrophobicContact CG1-CE1 3.97Å; V211-Y213 HydrophobicContact CG1-CE2 3.57Å; V211-Y213 WeakPolarHBondContact CG1-OH 3.41Å; V211-Y213 WeakPolarHBondContact O-CD2 3.35Å; V211-Y213 VanDerWaalsContact O-CE2 3.23Å; V211-Y213 WeakPolarHBondContact O-CE2 3.34Å; Y213-A217 WeakPolarHBondContact CD1-O 3.4Å; Y213-T218 WeakPolarHBondContact CA-O 3.3Å; Y213-P219 HydrophobicContact CD1-CB 4.34Å; Y213-P219 HydrophobicContact CD1-CG 4.1Å; Y213-P219 HydrophobicContact CE1-CB 4.22Å; Y213-P219 HydrophobicContact CE1-CG 3.78Å
214A88Confident92.8Very high1 Ų129.7 Ų29.71%0.00816%0.164CC..EExtended strand (participates in β ladder)trans-81.3172.7167.800000111.9T175 E176 D216 A217 T218 I220T175-A214 WeakPolarHBondContact OG1-CB 3.39Å; E176-A214 VanDerWaalsContact O-CA 3.28Å; E176-A214 WeakPolarHBondContact O-CA 3.48Å; A214-D216 WeakPolarHBondContact CB-OD1 3.48Å; A214-D216 PolarHBondContact O-N 3.37Å; A214-A217 WeakPolarHBondContact O-CA 3.29Å; A214-A217 PolarHBondContact O-N 3.09Å; A214-T218 PolarHBondContact N-O 2.99Å; A214-I220 HydrophobicContact CB-CD1 4.03Å; A214-I220 HydrophobicContact CB-CG1 4.09Å
215L76.7Confident92.8Very high119 Ų11926.5 Ų26.562%0.62314%0.143SC*.THydrogen-bonded Turntrans-58.2-31.6178.3-78.2178000113.7E176 A178 A217E176-L215 HydrophobicContact CB-CD1 4.08Å; E176-L215 HydrophobicContact CB-CG 4.23Å; E176-L215 HydrophobicContact CG-CD1 4.05Å; E176-L215 HydrophobicContact CG-CG 4.19Å; E176-L215 WeakPolarHBondContact OE2-CD1 3.33Å; A178-L215 HydrophobicContact CB-CD2 3.86Å; A178-L215 HydrophobicContact CB-CG 4.23Å; L215-A217 PolarHBondContact O-N 2.98Å
216D79.7Confident92.9Very high115 Ų11528.2 Ų28.262%0.61515%0.15SC*.THydrogen-bonded Turntrans-83.912.8177.165.24.8000113.4A214 T218A214-D216 WeakPolarHBondContact CB-OD1 3.48Å; A214-D216 PolarHBondContact O-N 3.37Å; D216-T218 PolarHBondContact O-N 3.29Å; D216-T218 WeakPolarHBondContact OD1-CB 3.49Å; D216-T218 PolarHBondContact OD1-N 3.46Å; D216-T218 PolarHBondContact OD1-OG1 3.37Å; D216-T218 PolarHBondContact OD2-OG1 2.75Å
217A80.6Confident92.8Very high45 Ų4527.5 Ų27.537%0.37215%0.145SC..SBendtrans63.616.5-175.800000115.3Y213 A214 L215Y213-A217 WeakPolarHBondContact CD1-O 3.4Å; A214-A217 WeakPolarHBondContact O-CA 3.29Å; A214-A217 PolarHBondContact O-N 3.09Å; L215-A217 PolarHBondContact O-N 2.98Å
218T89.2Confident92.7Very high58 Ų5827.2 Ų27.236%0.35614%0.143SC..  trans-72.8129.1171.3-54.90000110.9Y213 A214 D216 I220Y213-T218 WeakPolarHBondContact CA-O 3.3Å; A214-T218 PolarHBondContact N-O 2.99Å; D216-T218 PolarHBondContact O-N 3.29Å; D216-T218 WeakPolarHBondContact OD1-CB 3.49Å; D216-T218 PolarHBondContact OD1-N 3.46Å; D216-T218 PolarHBondContact OD1-OG1 3.37Å; D216-T218 PolarHBondContact OD2-OG1 2.75Å; T218-I220 PolarHBondContact O-N 2.83Å
219P93.3Very high92.4Very high8 Ų828.5 Ų28.55%0.05215%0.152CC..EExtended strand (participates in β ladder)trans-64.1124.2171.7-18.630.2000112L121 Q122 V211 Y213L121-P219 HydrophobicContact CD2-CB 4.35Å; Q122-P219 HydrophobicContact CB-CG 4.09Å; Q122-P219 HydrophobicContact CG-CG 3.78Å; V211-P219 HydrophobicContact CG1-CB 4.04Å; Y213-P219 HydrophobicContact CD1-CB 4.34Å; Y213-P219 HydrophobicContact CD1-CG 4.1Å; Y213-P219 HydrophobicContact CE1-CB 4.22Å; Y213-P219 HydrophobicContact CE1-CG 3.78Å
220I96.5Very high91.9Very high0 Ų029.5 Ų29.50%016%0.16CC..EExtended strand (participates in β ladder)trans-87.7-50178.4-54.8171.7000110.3Y154 L171 T175 I177 T212 A214 T218Y154-I220 HydrophobicContact CD1-CG2 4.18Å; Y154-I220 HydrophobicContact CD2-CG2 4.23Å; Y154-I220 WeakPolarHBondContact CD2-O 3.3Å; Y154-I220 HydrophobicContact CE1-CG2 4.02Å; Y154-I220 HydrophobicContact CE2-CB 4.39Å; Y154-I220 HydrophobicContact CE2-CG2 4.07Å; Y154-I220 HydrophobicContact CG-CG2 4.29Å; L171-I220 HydrophobicContact CD1-CG2 3.88Å; L171-I220 HydrophobicContact CD2-CG2 4.23Å; T175-I220 HydrophobicContact CG2-CD1 3.67Å; T175-I220 HydrophobicContact CG2-CG1 4.07Å; T175-I220 HydrophobicContact CG2-CG2 4.32Å; I177-I220 HydrophobicContact CG1-CD1 3.97Å; T212-I220 WeakPolarHBondContact O-CB 3.43Å; T212-I220 PolarHBondContact O-N 3.01Å; A214-I220 HydrophobicContact CB-CD1 4.03Å; A214-I220 HydrophobicContact CB-CG1 4.09Å; T218-I220 PolarHBondContact O-N 2.83Å
221F97.7Very high91.5Very high8 Ų833.5 Ų33.54%0.03518%0.175CC..EExtended strand (participates in β ladder)trans-152.6152.7178.366.4-99.3000112.5I148 Y149 L150 F168 L171 T212 D223I148-F221 HydrophobicContact CG2-CB 3.79Å; I148-F221 HydrophobicContact CG2-CD2 3.86Å; I148-F221 HydrophobicContact CG2-CG 3.98Å; Y149-F221 VanDerWaalsContact O-CA 3.3Å; Y149-F221 WeakPolarHBondContact O-CA 3.35Å; Y149-F221 WeakPolarHBondContact O-CB 3.21Å; L150-F221 HydrophobicContact CD2-CB 3.79Å; L150-F221 HydrophobicContact CG-CB 3.75Å; F168-F221 AromaticContact CE1-CE1 3.92Å; F168-F221 HydrophobicContact CE1-CE1 3.92Å; F168-F221 AromaticContact CE1-CZ 3.7Å; F168-F221 HydrophobicContact CE1-CZ 3.7Å; F168-F221 HydrophobicContact CZ-CZ 4.3Å; L171-F221 HydrophobicContact CD1-CD1 3.68Å; L171-F221 HydrophobicContact CD1-CE1 3.91Å; T212-F221 VanDerWaalsContact CB-CZ 3.43Å; T212-F221 HydrophobicContact CG2-CD1 4.5Å; T212-F221 HydrophobicContact CG2-CE1 3.75Å; T212-F221 HydrophobicContact CG2-CZ 3.87Å; T212-F221 PolarHBondContact N-O 3.35Å; T212-F221 VanDerWaalsContact OG1-CE2 3.28Å; T212-F221 WeakPolarHBondContact OG1-CE2 3.38Å; T212-F221 WeakPolarHBondContact OG1-CZ 3.42Å; F221-D223 HydrophobicContact CD2-CB 3.93Å; F221-D223 HydrophobicContact CE2-CB 3.9Å
222Y98.2Very high91Very high14 Ų1433.4 Ų33.46%0.05517%0.173CC..EExtended strand (participates in β ladder)trans-108.4124.9168.9176.1-132.5000108.9E116 I117 A120 I148 Y149 Y209 S210 V211 I224E116-Y222 HydrophobicContact CG-CE1 4.49Å; E116-Y222 PolarHBondContact OE1-OH 2.86Å; I117-Y222 HydrophobicContact CG1-CD1 4.06Å; I117-Y222 HydrophobicContact CG1-CE1 4.19Å; A120-Y222 HydrophobicContact CB-CD1 4.08Å; A120-Y222 HydrophobicContact CB-CD2 3.91Å; A120-Y222 HydrophobicContact CB-CE1 4.46Å; A120-Y222 HydrophobicContact CB-CE2 4.33Å; A120-Y222 HydrophobicContact CB-CG 3.77Å; I148-Y222 CarbonylContact C-O 3.51Å; I148-Y222 WeakPolarHBondContact CA-O 3.06Å; Y149-Y222 AromaticContact CD2-CD1 3.91Å; Y149-Y222 HydrophobicContact CD2-CD1 3.91Å; Y149-Y222 PolarHBondContact N-O 3.36Å; Y149-Y222 PolarHBondContact O-N 2.54Å; Y209-Y222 HydrophobicContact CD1-CE2 4.46Å; Y209-Y222 WeakPolarHBondContact CD1-OH 3.39Å; S210-Y222 CarbonylContact O-C 3.59Å; S210-Y222 WeakPolarHBondContact O-CA 3.43Å; S210-Y222 WeakPolarHBondContact O-CD2 3.28Å; V211-Y222 HydrophobicContact CG2-CD2 3.73Å; V211-Y222 HydrophobicContact CG2-CE2 4.3Å; Y222-I224 HydrophobicContact CE1-CD1 4.04Å; Y222-I224 HydrophobicContact CE1-CG1 4.02Å
223D97.4Very high90.4Very high12 Ų1235.9 Ų35.96%0.06419%0.188CC..EExtended strand (participates in β ladder)trans-122.2131.3-175.317733.2000111.2K147 I148 Y209 S210 F221 S225K147-D223 PolarHBondContact N-OD1 3.02Å; I148-D223 HydrophobicContact CG1-CB 4.14Å; I148-D223 WeakPolarHBondContact CG1-OD1 3.45Å; Y209-D223 CarbonylContact C-O 3.43Å; Y209-D223 WeakPolarHBondContact CA-O 3.37Å; S210-D223 PolarHBondContact N-O 3.41Å; S210-D223 PolarHBondContact O-N 2.89Å; F221-D223 HydrophobicContact CD2-CB 3.93Å; F221-D223 HydrophobicContact CE2-CB 3.9Å; D223-S225 PolarHBondContact OD1-OG 2.72Å; D223-S225 WeakPolarHBondContact OD2-CB 3.44Å; D223-S225 PolarHBondContact OD2-OG 3.15Å
224I97.4Very high90.1Very high19 Ų1936.3 Ų36.310%0.09719%0.19CC..EExtended strand (participates in β ladder)trans-112.195.4169.1-48178.8000107K147 Y149 Q207 V208 Y209 Y222 Y226K147-I224 HydrophobicContact CB-CB 4.5Å; K147-I224 WeakPolarHBondContact CB-O 3.34Å; K147-I224 PolarHBondContact N-O 3.01Å; K147-I224 PolarHBondContact O-N 3.07Å; Y149-I224 HydrophobicContact CE2-CD1 4.11Å; Y149-I224 HydrophobicContact CE2-CG1 4.47Å; Q207-I224 HydrophobicContact CG-CG2 4.19Å; Q207-I224 VanDerWaalsContact NE2-CG2 3.29Å; V208-I224 WeakPolarHBondContact O-CA 3.15Å; Y209-I224 HydrophobicContact CD1-CB 4.44Å; Y209-I224 HydrophobicContact CD1-CD1 4.34Å; Y209-I224 HydrophobicContact CD1-CG1 3.91Å; Y209-I224 HydrophobicContact CD1-CG2 4.02Å; Y209-I224 HydrophobicContact CE1-CD1 4.13Å; Y209-I224 HydrophobicContact CE1-CG1 4.14Å; Y209-I224 HydrophobicContact CE1-CG2 3.82Å; Y222-I224 HydrophobicContact CE1-CD1 4.04Å; Y222-I224 HydrophobicContact CE1-CG1 4.02Å; I224-Y226 HydrophobicContact CG2-CE2 4.28Å
225S96.3Very high89.3Confident0 Ų042.3 Ų42.30%022%0.216CC..EExtended strand (participates in β ladder)trans-103.9143.6-175-88.70000112.7V145 E146 Q207 V208 D223V145-S225 CarbonylContact O-C 3.53Å; V145-S225 WeakPolarHBondContact O-CA 3.34Å; E146-S225 WeakPolarHBondContact CG-OG 3.26Å; Q207-S225 CarbonylContact C-O 3.55Å; Q207-S225 WeakPolarHBondContact CA-O 3.31Å; V208-S225 PolarHBondContact N-O 2.78Å; V208-S225 PolarHBondContact O-N 2.86Å; D223-S225 PolarHBondContact OD1-OG 2.72Å; D223-S225 WeakPolarHBondContact OD2-CB 3.44Å; D223-S225 PolarHBondContact OD2-OG 3.15Å
226Y96.7Very high89Confident39 Ų3941.8 Ų41.815%0.15322%0.218CC..EExtended strand (participates in β ladder)trans-117.4114.4179.6-54.9-86.3000109.4T144 V145 I187 L193 Q207 I224T144-Y226 CarbonylContact C-O 3.58Å; T144-Y226 WeakPolarHBondContact CA-O 3.37Å; V145-Y226 HydrophobicContact CB-CD2 4.39Å; V145-Y226 HydrophobicContact CG1-CD2 4.45Å; V145-Y226 PolarHBondContact N-O 3.24Å; V145-Y226 WeakPolarHBondContact O-CD2 3.24Å; V145-Y226 PolarHBondContact O-N 3.43Å; I187-Y226 HydrophobicContact CD1-CD1 3.7Å; I187-Y226 HydrophobicContact CD1-CE1 3.74Å; L193-Y226 HydrophobicContact CD1-CD1 3.6Å; L193-Y226 HydrophobicContact CD1-CD2 4.47Å; L193-Y226 HydrophobicContact CD1-CE1 3.88Å; L193-Y226 HydrophobicContact CD1-CG 3.91Å; L193-Y226 HydrophobicContact CD2-CD1 4.44Å; L193-Y226 HydrophobicContact CD2-CD2 3.91Å; L193-Y226 HydrophobicContact CD2-CE2 4.44Å; L193-Y226 HydrophobicContact CD2-CG 3.91Å; Q207-Y226 HydrophobicContact CB-CD1 4.21Å; Q207-Y226 HydrophobicContact CB-CE1 4.32Å; Q207-Y226 HydrophobicContact CG-CD1 4.06Å; Q207-Y226 HydrophobicContact CG-CE1 3.78Å; I224-Y226 HydrophobicContact CG2-CE2 4.28Å
227Y94.9Very high88.3Confident20 Ų2041.3 Ų41.38%0.07822%0.22CC..EExtended strand (participates in β ladder)trans-108135.9-177.4-60.8-103.1000110.6T144 L206 V208 S229 Y232 F234T144-Y227 HydrophobicContact CG2-CD1 3.22Å; T144-Y227 HydrophobicContact CG2-CE1 3.51Å; T144-Y227 HydrophobicContact CG2-CG 3.95Å; L206-Y227 PolarHBondContact N-O 3.34Å; L206-Y227 PolarHBondContact O-N 3.46Å; V208-Y227 HydrophobicContact CB-CD2 4.24Å; V208-Y227 HydrophobicContact CB-CE2 3.8Å; V208-Y227 HydrophobicContact CG2-CD2 3.59Å; V208-Y227 HydrophobicContact CG2-CE2 3.58Å; Y227-S229 PolarHBondContact O-N 2.85Å; Y227-S229 VanDerWaalsContact O-N 3.13Å; Y227-Y232 AromaticContact CD1-CD1 3.45Å; Y227-Y232 HydrophobicContact CD1-CD1 3.45Å; Y227-Y232 VanDerWaalsContact CD1-CD1 3.45Å; Y227-Y232 AromaticContact CD1-CD2 3.73Å; Y227-Y232 HydrophobicContact CD1-CD2 3.73Å; Y227-Y232 AromaticContact CD1-CE1 3.54Å; Y227-Y232 HydrophobicContact CD1-CE1 3.54Å; Y227-Y232 AromaticContact CD1-CE2 3.84Å; Y227-Y232 HydrophobicContact CD1-CE2 3.84Å; Y227-Y232 AromaticContact CD1-CG 3.54Å; Y227-Y232 HydrophobicContact CD1-CG 3.54Å; Y227-Y232 AromaticContact CD1-CZ 3.77Å; Y227-Y232 HydrophobicContact CE1-CD1 4.06Å; Y227-Y232 HydrophobicContact CE1-CD2 4.34Å; Y227-Y232 AromaticContact CE1-CE1 3.65Å; Y227-Y232 HydrophobicContact CE1-CE1 3.65Å; Y227-Y232 AromaticContact CE1-CE2 3.98Å; Y227-Y232 HydrophobicContact CE1-CE2 3.98Å; Y227-Y232 HydrophobicContact CE1-CG 4.39Å; Y227-Y232 AromaticContact CE1-CZ 3.62Å; Y227-Y232 HydrophobicContact CG-CD1 4.1Å; Y227-Y232 HydrophobicContact CG-CE1 4.47Å; Y227-Y232 HydrophobicContact CG-CG 4.26Å; Y227-F234 HydrophobicContact CD1-CE2 4.22Å; Y227-F234 HydrophobicContact CD1-CZ 4.23Å; Y227-F234 AromaticContact CD2-CE2 3.89Å; Y227-F234 HydrophobicContact CD2-CE2 3.89Å; Y227-F234 AromaticContact CD2-CZ 3.86Å; Y227-F234 HydrophobicContact CD2-CZ 3.86Å; Y227-F234 HydrophobicContact CE1-CE2 4.49Å; Y227-F234 HydrophobicContact CE1-CZ 4.05Å; Y227-F234 HydrophobicContact CE2-CE2 4.18Å; Y227-F234 AromaticContact CE2-CZ 3.66Å; Y227-F234 HydrophobicContact CE2-CZ 3.66Å; Y227-F234 AromaticContact CG-CE2 3.94Å; Y227-F234 HydrophobicContact CG-CE2 3.94Å; Y227-F234 HydrophobicContact CG-CZ 4.17Å; Y227-F234 AromaticContact CZ-CZ 3.78Å
228R93.8Very high87.6Confident13 Ų1346.6 Ų46.65%0.04924%0.241CC..EExtended strand (participates in β ladder)trans-60.8113.1168.8-84.7-176.565.5-177.91.5111.3E141 P142 M143 L197 V199 L205 D230 R231 Y232E141-R228 IonicContact OE1-CZ 3.37Å; E141-R228 IonicContact OE1-NH1 3.41Å; E141-R228 PolarHBondContact OE1-NH1 2.77Å; E141-R228 IonicContact OE1-NH2 2.94Å; E141-R228 PolarHBondContact OE1-NH2 3.31Å; P142-R228 WeakPolarHBondContact O-CD 3.43Å; P142-R228 PolarHBondContact O-NH1 3.46Å; M143-R228 PolarHBondContact O-N 3.03Å; L197-R228 HydrophobicContact CB-CG 4.26Å; L197-R228 HydrophobicContact CD1-CG 4.49Å; L197-R228 HydrophobicContact CD2-CG 4.35Å; V199-R228 HydrophobicContact CG1-CG 3.8Å; L205-R228 HydrophobicContact CD2-CG 4.34Å; R228-D230 WeakPolarHBondContact CB-OD1 3.31Å; R228-D230 IonicContact CZ-OD1 3.75Å; R228-D230 IonicContact CZ-OD2 2.82Å; R228-D230 IonicContact NE-OD1 3.48Å; R228-D230 PolarHBondContact NE-OD1 2.99Å; R228-D230 IonicContact NE-OD2 3.96Å; R228-D230 IonicContact NH2-OD1 3.54Å; R228-D230 IonicContact NH2-OD2 3.65Å; R228-D230 PolarHBondContact NH2-OD2 2.92Å; R228-D230 PolarHBondContact O-N 3.3Å; R228-R231 HydrophobicContact CB-CB 4.09Å; R228-R231 HydrophobicContact CB-CG 4.28Å; R228-R231 PolarHBondContact O-N 3.19Å; R228-Y232 WeakPolarHBondContact O-CB 3.41Å; R228-Y232 PolarHBondContact O-N 3.19Å
229S89Confident86.2Confident26 Ų2647.6 Ų47.618%0.18225%0.247CC..THydrogen-bonded Turntrans-65.7-22.8-179.269.80000112.9K78 P204 Y227 R231K78-S229 WeakPolarHBondContact CE-O 3.36Å; K78-S229 PolarHBondContact NZ-O 3.34Å; P204-S229 VanDerWaalsContact O-CB 3.32Å; P204-S229 WeakPolarHBondContact O-CB 3.42Å; P204-S229 PolarHBondContact O-OG 3.1Å; Y227-S229 PolarHBondContact O-N 2.85Å; Y227-S229 VanDerWaalsContact O-N 3.13Å; S229-R231 VanDerWaalsContact C-N 3.33Å
230D88Confident84.9Confident71 Ų7155.3 Ų55.338%0.3828%0.275SS..THydrogen-bonded Turntrans-77.9-17.9175.771.7-53.8000112.9K78 R228K78-D230 VanDerWaalsContact CE-O 3.24Å; K78-D230 WeakPolarHBondContact CE-O 3.38Å; R228-D230 WeakPolarHBondContact CB-OD1 3.31Å; R228-D230 IonicContact CZ-OD1 3.75Å; R228-D230 IonicContact CZ-OD2 2.82Å; R228-D230 IonicContact NE-OD1 3.48Å; R228-D230 PolarHBondContact NE-OD1 2.99Å; R228-D230 IonicContact NE-OD2 3.96Å; R228-D230 IonicContact NH2-OD1 3.54Å; R228-D230 IonicContact NH2-OD2 3.65Å; R228-D230 PolarHBondContact NH2-OD2 2.92Å; R228-D230 PolarHBondContact O-N 3.3Å
231R86.3Confident84.1Confident88 Ų8861.8 Ų61.833%0.33230%0.3SS..THydrogen-bonded Turntrans-119.4-15.7-176-59.6-56.3178.1123.81.2115.2K78 I79 E141 M143 R228 S229K78-R231 CarbonylContact C-O 3.53Å; K78-R231 WeakPolarHBondContact CA-O 3.42Å; K78-R231 WeakPolarHBondContact CB-O 3.35Å; I79-R231 PolarHBondContact N-O 3.22Å; E141-R231 IonicContact OE1-CZ 3.05Å; E141-R231 IonicContact OE1-NE 3.88Å; E141-R231 PolarHBondContact OE1-NE 3.01Å; E141-R231 IonicContact OE1-NH1 3.78Å; E141-R231 PolarHBondContact OE1-NH1 2.78Å; E141-R231 IonicContact OE1-NH2 3.64Å; E141-R231 PolarHBondContact OE1-NH2 2.97Å; E141-R231 IonicContact OE2-CZ 3.55Å; E141-R231 IonicContact OE2-NE 3.83Å; E141-R231 IonicContact OE2-NH1 3.43Å; E141-R231 PolarHBondContact OE2-NH1 2.75Å; E141-R231 IonicContact OE2-NH2 2.71Å; E141-R231 PolarHBondContact OE2-NH2 2.79Å; M143-R231 HydrophobicContact CE-CB 3.52Å; M143-R231 HydrophobicContact CE-CG 4.36Å; M143-R231 HydrophobicContact SD-CB 4.03Å; M143-R231 HydrophobicContact SD-CG 4.27Å; R228-R231 HydrophobicContact CB-CB 4.09Å; R228-R231 HydrophobicContact CB-CG 4.28Å; R228-R231 PolarHBondContact O-N 3.19Å; S229-R231 VanDerWaalsContact C-N 3.33Å
232Y85.5Confident83.6Confident15 Ų1562.7 Ų62.76%0.05931%0.307CS..EExtended strand (participates in β ladder)trans-129.2145.1-172.7-145.2-85.6000111.4I79 S81 Y227 R228 F234I79-Y232 HydrophobicContact CB-CD2 3.8Å; I79-Y232 HydrophobicContact CB-CE2 3.83Å; I79-Y232 HydrophobicContact CG2-CD2 3.97Å; I79-Y232 HydrophobicContact CG2-CE2 3.44Å; I79-Y232 VanDerWaalsContact CG2-CE2 3.44Å; I79-Y232 CarbonylContact O-C 3.49Å; I79-Y232 WeakPolarHBondContact O-CA 3.41Å; S81-Y232 VanDerWaalsContact CB-CE1 3.46Å; Y227-Y232 AromaticContact CD1-CD1 3.45Å; Y227-Y232 HydrophobicContact CD1-CD1 3.45Å; Y227-Y232 VanDerWaalsContact CD1-CD1 3.45Å; Y227-Y232 AromaticContact CD1-CD2 3.73Å; Y227-Y232 HydrophobicContact CD1-CD2 3.73Å; Y227-Y232 AromaticContact CD1-CE1 3.54Å; Y227-Y232 HydrophobicContact CD1-CE1 3.54Å; Y227-Y232 AromaticContact CD1-CE2 3.84Å; Y227-Y232 HydrophobicContact CD1-CE2 3.84Å; Y227-Y232 AromaticContact CD1-CG 3.54Å; Y227-Y232 HydrophobicContact CD1-CG 3.54Å; Y227-Y232 AromaticContact CD1-CZ 3.77Å; Y227-Y232 HydrophobicContact CE1-CD1 4.06Å; Y227-Y232 HydrophobicContact CE1-CD2 4.34Å; Y227-Y232 AromaticContact CE1-CE1 3.65Å; Y227-Y232 HydrophobicContact CE1-CE1 3.65Å; Y227-Y232 AromaticContact CE1-CE2 3.98Å; Y227-Y232 HydrophobicContact CE1-CE2 3.98Å; Y227-Y232 HydrophobicContact CE1-CG 4.39Å; Y227-Y232 AromaticContact CE1-CZ 3.62Å; Y227-Y232 HydrophobicContact CG-CD1 4.1Å; Y227-Y232 HydrophobicContact CG-CE1 4.47Å; Y227-Y232 HydrophobicContact CG-CG 4.26Å; R228-Y232 WeakPolarHBondContact O-CB 3.41Å; R228-Y232 PolarHBondContact O-N 3.19Å; Y232-F234 HydrophobicContact CD1-CD2 4.22Å; Y232-F234 AromaticContact CD1-CE2 3.72Å; Y232-F234 HydrophobicContact CD1-CE2 3.72Å; Y232-F234 HydrophobicContact CD1-CZ 4.24Å; Y232-F234 HydrophobicContact CE1-CD2 4.47Å; Y232-F234 AromaticContact CE1-CE2 3.86Å; Y232-F234 HydrophobicContact CE1-CE2 3.86Å; Y232-F234 AromaticContact CE1-CZ 3.91Å; Y232-F234 HydrophobicContact CE1-CZ 3.91Å
233V83.6Confident83.3Confident53 Ų5363.1 Ų63.132%0.32131%0.31SS..EExtended strand (participates in β ladder)trans-138.8138.8175.263.90000110.5K78 I79 Q80 S81K78-V233 HydrophobicContact CB-CG1 4.26Å; I79-V233 PolarHBondContact O-N 2.81Å; Q80-V233 WeakPolarHBondContact CA-O 3.01Å; Q80-V233 HydrophobicContact CB-CG1 4.08Å; Q80-V233 HydrophobicContact CG-CG1 3.59Å; S81-V233 PolarHBondContact N-O 3.01Å
234F83.8Confident83Confident38 Ų3866.9 Ų66.917%0.16733%0.327CS..EExtended strand (participates in β ladder)trans-93.3118171.1-76.2-98.7000108.4V184 L206 V208 Y227 Y232V184-F234 HydrophobicContact CG1-CD2 4.39Å; V184-F234 HydrophobicContact CG2-CD1 3.97Å; V184-F234 HydrophobicContact CG2-CE1 4.41Å; V184-F234 HydrophobicContact CG2-CG 4.1Å; L206-F234 HydrophobicContact CD1-CD2 3.88Å; L206-F234 HydrophobicContact CD1-CE2 4.31Å; V208-F234 HydrophobicContact CB-CZ 4.35Å; V208-F234 HydrophobicContact CG1-CE1 4.15Å; V208-F234 HydrophobicContact CG1-CZ 4.28Å; V208-F234 HydrophobicContact CG2-CD2 4.47Å; V208-F234 HydrophobicContact CG2-CE1 4.04Å; V208-F234 HydrophobicContact CG2-CE2 3.67Å; V208-F234 HydrophobicContact CG2-CZ 3.46Å; V208-F234 VanDerWaalsContact CG2-CZ 3.46Å; Y227-F234 HydrophobicContact CD1-CE2 4.22Å; Y227-F234 HydrophobicContact CD1-CZ 4.23Å; Y227-F234 AromaticContact CD2-CE2 3.89Å; Y227-F234 HydrophobicContact CD2-CE2 3.89Å; Y227-F234 AromaticContact CD2-CZ 3.86Å; Y227-F234 HydrophobicContact CD2-CZ 3.86Å; Y227-F234 HydrophobicContact CE1-CE2 4.49Å; Y227-F234 HydrophobicContact CE1-CZ 4.05Å; Y227-F234 HydrophobicContact CE2-CE2 4.18Å; Y227-F234 AromaticContact CE2-CZ 3.66Å; Y227-F234 HydrophobicContact CE2-CZ 3.66Å; Y227-F234 AromaticContact CG-CE2 3.94Å; Y227-F234 HydrophobicContact CG-CE2 3.94Å; Y227-F234 HydrophobicContact CG-CZ 4.17Å; Y227-F234 AromaticContact CZ-CZ 3.78Å; Y232-F234 HydrophobicContact CD1-CD2 4.22Å; Y232-F234 AromaticContact CD1-CE2 3.72Å; Y232-F234 HydrophobicContact CD1-CE2 3.72Å; Y232-F234 HydrophobicContact CD1-CZ 4.24Å; Y232-F234 HydrophobicContact CE1-CD2 4.47Å; Y232-F234 AromaticContact CE1-CE2 3.86Å; Y232-F234 HydrophobicContact CE1-CE2 3.86Å; Y232-F234 AromaticContact CE1-CZ 3.91Å; Y232-F234 HydrophobicContact CE1-CZ 3.91Å
235K71.7Confident82.8Confident127 Ų12773 Ų7355%0.55236%0.355SS*.  trans-112.7118.1178.6-172.4-175.7177.8-1660108.6
236T70.2Confident82.7Confident109 Ų10974.9 Ų74.967%0.66937%0.365SS*.  trans-123.1133.9176.3-51.30000109L238T236-L238 HydrophobicContact CG2-CD2 3.7Å; T236-L238 HydrophobicContact CG2-CG 4.09Å
237T63.6Low82.7Confident105 Ų10575.1 Ų75.164%0.64437%0.367SS*.  trans-94.5113.5169.2-58.40000107.7
238L66.2Low82.9Confident156 Ų15679.2 Ų79.282%0.81739%0.387SS*.  trans-105.5121.4174.6-60.8176.9000108.3T236T236-L238 HydrophobicContact CG2-CD2 3.7Å; T236-L238 HydrophobicContact CG2-CG 4.09Å
239T60.6Low83.1Confident78 Ų7881.9 Ų81.948%0.47940%0.4SS..  trans-109.9122.5178.8-47.40000109.2V242 M368T239-V242 HydrophobicContact CG2-CB 3.85Å; T239-V242 HydrophobicContact CG2-CG2 4.32Å; T239-M368 HydrophobicContact CG2-CE 3.89Å
240R65.4Low83.5Confident171 Ų17180.7 Ų80.765%0.64539%0.391SS*.  trans-110.6136176.5-162.7-174.8178.9-170.7-9.4108.5V242R240-V242 PolarHBondContact O-N 3Å
241Y79Confident84Confident135 Ų13578.1 Ų78.153%0.52938%0.376SS..  trans5429.2165.9-57-38.9000116.9I243 E244 E245Y241-I243 PolarHBondContact O-N 2.96Å; Y241-I243 VanDerWaalsContact O-N 3.07Å; Y241-E244 PolarHBondContact O-N 3.32Å; Y241-E245 WeakPolarHBondContact O-CG 3.16Å; Y241-E245 PolarHBondContact O-N 3.1Å
242V87.4Confident84.6Confident28 Ų2879.6 Ų79.617%0.1739%0.387CS..Hα-helixtrans-52.5-39.2-176.571.70000113T239 R240 N246 L364 M368 M659T239-V242 HydrophobicContact CG2-CB 3.85Å; T239-V242 HydrophobicContact CG2-CG2 4.32Å; R240-V242 PolarHBondContact O-N 3Å; V242-N246 WeakPolarHBondContact O-CB 3.26Å; V242-N246 PolarHBondContact O-N 3.09Å; V242-N246 PolarHBondContact O-ND2 3Å; V242-L364 HydrophobicContact CG1-CD1 4.32Å; V242-L364 HydrophobicContact CG2-CB 4.14Å; V242-L364 HydrophobicContact CG2-CD1 4.11Å; V242-L364 HydrophobicContact CG2-CD2 4.04Å; V242-L364 HydrophobicContact CG2-CG 4.3Å; V242-M368 HydrophobicContact CB-CE 3.82Å; V242-M368 HydrophobicContact CG1-CE 3.55Å; V242-M368 HydrophobicContact CG2-CE 3.69Å; V242-M659 HydrophobicContact CG1-CE 4.01Å
243I92.6Very high85.2Confident23 Ų2379.2 Ų79.212%0.11839%0.386CS..Hα-helixtrans-68.6-50.7178.5-65176.4000109.9Y241 E245 N246 K247 L364 L652 M655 E656 M659Y241-I243 PolarHBondContact O-N 2.96Å; Y241-I243 VanDerWaalsContact O-N 3.07Å; I243-E245 VanDerWaalsContact C-N 3.32Å; I243-E245 PolarHBondContact O-N 2.76Å; I243-N246 CarbonylContact O-C 3.5Å; I243-N246 PolarHBondContact O-N 3.38Å; I243-N246 VanDerWaalsContact O-N 3.1Å; I243-K247 WeakPolarHBondContact O-CB 3.49Å; I243-K247 PolarHBondContact O-N 2.96Å; I243-L364 HydrophobicContact CG1-CD1 4.28Å; I243-L652 HydrophobicContact CG2-CB 4.18Å; I243-L652 HydrophobicContact CG2-CD2 3.76Å; I243-L652 HydrophobicContact CG2-CG 4.37Å; I243-M655 HydrophobicContact CD1-CB 4.31Å; I243-M655 HydrophobicContact CD1-CG 4.19Å; I243-M655 HydrophobicContact CD1-SD 4.36Å; I243-M655 HydrophobicContact CG1-CG 4.44Å; I243-M655 HydrophobicContact CG1-SD 4.01Å; I243-M655 HydrophobicContact CG2-SD 3.99Å; I243-E656 HydrophobicContact CD1-CB 3.74Å; I243-E656 HydrophobicContact CD1-CG 4.46Å; I243-M659 HydrophobicContact CD1-SD 3.94Å; I243-M659 HydrophobicContact CG1-SD 3.91Å
244E91.4Very high86Confident91 Ų9176.7 Ų76.743%0.42537%0.371SS..Hα-helixtrans-61.3-38.2-179.3-71.7-62.5137.300112.8Y241 N246 K247 L652Y241-E244 PolarHBondContact O-N 3.32Å; E244-N246 VanDerWaalsContact C-N 3.26Å; E244-N246 PolarHBondContact O-N 3.47Å; E244-K247 WeakPolarHBondContact O-CG 3.25Å; E244-K247 WeakPolarHBondContact OE2-CE 3.31Å; E244-K247 IonicContact OE2-NZ 2.67Å; E244-K247 PolarHBondContact OE2-NZ 3.42Å; E244-L652 WeakPolarHBondContact OE1-CD1 3.22Å
245E92.4Very high86.7Confident146 Ų14676.7 Ų76.768%0.68237%0.372SS*.Hα-helixtrans-69.9-24.3178-69.7-179.9171.900112.7Y241 I243Y241-E245 WeakPolarHBondContact O-CG 3.16Å; Y241-E245 PolarHBondContact O-N 3.1Å; I243-E245 VanDerWaalsContact C-N 3.32Å; I243-E245 PolarHBondContact O-N 2.76Å
246N95.6Very high87.9Confident41 Ų4174.9 Ų74.922%0.21937%0.366CS..Hα-helixtrans-111.1-0.3-175.7-70.6-90.3000113.8V242 I243 E244 E248 Q249 F250 F360 L364V242-N246 WeakPolarHBondContact O-CB 3.26Å; V242-N246 PolarHBondContact O-N 3.09Å; V242-N246 PolarHBondContact O-ND2 3Å; I243-N246 CarbonylContact O-C 3.5Å; I243-N246 PolarHBondContact O-N 3.38Å; I243-N246 VanDerWaalsContact O-N 3.1Å; E244-N246 VanDerWaalsContact C-N 3.26Å; E244-N246 PolarHBondContact O-N 3.47Å; N246-E248 VanDerWaalsContact C-N 3.33Å; N246-E248 PolarHBondContact O-N 3.18Å; N246-Q249 PolarHBondContact O-N 3.05Å; N246-F250 PolarHBondContact O-N 3.16Å; N246-F360 HydrophobicContact CB-CE1 3.69Å; N246-F360 HydrophobicContact CB-CZ 3.9Å; N246-F360 WeakPolarHBondContact O-CZ 3.36Å; N246-L364 HydrophobicContact CB-CD2 3.89Å
247K96.4Very high89.3Confident43 Ų4369.7 Ų69.719%0.18733%0.334CS..Hα-helixtrans-62.3-35.8-173.572.7-175.4176.8-176.90113.6I243 E244 Q249 F250 Y251 L652I243-K247 WeakPolarHBondContact O-CB 3.49Å; I243-K247 PolarHBondContact O-N 2.96Å; E244-K247 WeakPolarHBondContact O-CG 3.25Å; E244-K247 WeakPolarHBondContact OE2-CE 3.31Å; E244-K247 IonicContact OE2-NZ 2.67Å; E244-K247 PolarHBondContact OE2-NZ 3.42Å; K247-Q249 VanDerWaalsContact C-N 3.34Å; K247-Q249 PolarHBondContact O-N 3.43Å; K247-F250 WeakPolarHBondContact O-CB 3.25Å; K247-F250 PolarHBondContact O-N 3.5Å; K247-Y251 HydrophobicContact CB-CE1 4.44Å; K247-Y251 HydrophobicContact CB-CE2 4.01Å; K247-Y251 HydrophobicContact CD-CE2 4.17Å; K247-Y251 HydrophobicContact CG-CE2 3.87Å; K247-Y251 WeakPolarHBondContact O-CD1 3.44Å; K247-Y251 VanDerWaalsContact O-CD2 3.26Å; K247-Y251 WeakPolarHBondContact O-CD2 3.34Å; K247-Y251 PolarHBondContact O-N 2.75Å; K247-L652 HydrophobicContact CB-CD2 4.08Å; K247-L652 HydrophobicContact CD-CD1 4.09Å
248E97.9Very high90.9Very high107 Ų10764.7 Ų64.750%0.530%0.303SS..Hα-helixtrans-66.9-37.6179.2-63.2-56.5143.300111.7N246 Y251 Q252N246-E248 VanDerWaalsContact C-N 3.33Å; N246-E248 PolarHBondContact O-N 3.18Å; E248-Y251 PolarHBondContact O-N 3.44Å; E248-Q252 VanDerWaalsContact O-CG 3.3Å; E248-Q252 WeakPolarHBondContact O-CG 3.33Å; E248-Q252 PolarHBondContact O-N 3.46Å; E248-Q252 VanDerWaalsContact O-N 3.15Å
249Q98.1Very high92.5Very high68 Ų6862.3 Ų62.332%0.31829%0.288SS..Hα-helixtrans-66.3-43.2172.7-177.86066.700110.3N246 K247 Y251 Q252 D253 F360N246-Q249 PolarHBondContact O-N 3.05Å; K247-Q249 VanDerWaalsContact C-N 3.34Å; K247-Q249 PolarHBondContact O-N 3.43Å; Q249-Y251 VanDerWaalsContact C-N 3.35Å; Q249-Y251 PolarHBondContact O-N 3.01Å; Q249-Q252 PolarHBondContact O-N 3.48Å; Q249-D253 WeakPolarHBondContact CG-OD2 3.19Å; Q249-D253 PolarHBondContact NE2-OD1 2.89Å; Q249-D253 VanDerWaalsContact NE2-OD1 3.13Å; Q249-D253 PolarHBondContact NE2-OD2 2.93Å; Q249-D253 PolarHBondContact O-N 3.24Å; Q249-D253 VanDerWaalsContact O-OD2 3.04Å; Q249-F360 HydrophobicContact CB-CE2 4.39Å; Q249-F360 HydrophobicContact CB-CZ 4.16Å; Q249-F360 HydrophobicContact CG-CE2 4.04Å; Q249-F360 HydrophobicContact CG-CZ 4.2Å
250F98.5Very high94.3Very high2 Ų259.2 Ų59.21%0.00927%0.269CS..Hα-helixtrans-57.5-45.2174.9170.5-122.5000112.4N246 K247 Q252 D253 L254 L356 A357 F360 L651 M655N246-F250 PolarHBondContact O-N 3.16Å; K247-F250 WeakPolarHBondContact O-CB 3.25Å; K247-F250 PolarHBondContact O-N 3.5Å; F250-Q252 VanDerWaalsContact C-N 3.33Å; F250-Q252 PolarHBondContact O-N 2.93Å; F250-D253 PolarHBondContact O-N 3.39Å; F250-L254 HydrophobicContact CE1-CD2 4.38Å; F250-L254 HydrophobicContact CE2-CB 4.39Å; F250-L254 HydrophobicContact CZ-CD2 4.07Å; F250-L254 VanDerWaalsContact O-CB 3.24Å; F250-L254 WeakPolarHBondContact O-CB 3.44Å; F250-L254 PolarHBondContact O-N 2.85Å; F250-L356 HydrophobicContact CE2-CB 4.26Å; F250-A357 HydrophobicContact CE2-CB 4.35Å; F250-A357 HydrophobicContact CZ-CB 3.91Å; F250-F360 HydrophobicContact CB-CD1 3.87Å; F250-F360 HydrophobicContact CB-CD2 3.93Å; F250-F360 HydrophobicContact CB-CE1 3.79Å; F250-F360 HydrophobicContact CB-CE2 3.87Å; F250-F360 HydrophobicContact CB-CG 3.93Å; F250-F360 HydrophobicContact CB-CZ 3.79Å; F250-F360 HydrophobicContact CD2-CB 3.63Å; F250-F360 HydrophobicContact CD2-CD1 4.22Å; F250-F360 AromaticContact CD2-CD2 3.92Å; F250-F360 HydrophobicContact CD2-CD2 3.92Å; F250-F360 AromaticContact CD2-CG 3.66Å; F250-F360 HydrophobicContact CD2-CG 3.66Å; F250-F360 HydrophobicContact CE2-CB 4.1Å; F250-F360 HydrophobicContact CG-CB 4.47Å; F250-F360 HydrophobicContact CG-CD1 4.27Å; F250-F360 HydrophobicContact CG-CD2 4.4Å; F250-F360 HydrophobicContact CG-CG 4.13Å; F250-L651 HydrophobicContact CE1-CD1 4.19Å; F250-L651 HydrophobicContact CE1-CD2 3.76Å; F250-L651 HydrophobicContact CE1-CG 3.85Å; F250-L651 HydrophobicContact CZ-CD1 4.15Å; F250-L651 HydrophobicContact CZ-CD2 4.34Å; F250-L651 HydrophobicContact CZ-CG 4.32Å; F250-M655 HydrophobicContact CB-CE 4.24Å; F250-M655 HydrophobicContact CD1-CE 3.4Å; F250-M655 VanDerWaalsContact CD1-CE 3.4Å; F250-M655 HydrophobicContact CD2-CE 3.66Å; F250-M655 HydrophobicContact CE1-CE 3.5Å; F250-M655 HydrophobicContact CE2-CE 3.77Å; F250-M655 HydrophobicContact CG-CE 3.48Å; F250-M655 VanDerWaalsContact CG-CE 3.48Å; F250-M655 HydrophobicContact CZ-CE 3.69Å
251Y98.5Very high95.8Very high16 Ų1656.7 Ų56.76%0.06326%0.264CS..Hα-helixtrans-63.2-38.5178.2-58.1-27.9000112.5K247 E248 Q249 L254 D255 F343 E648 L651 L652K247-Y251 HydrophobicContact CB-CE1 4.44Å; K247-Y251 HydrophobicContact CB-CE2 4.01Å; K247-Y251 HydrophobicContact CD-CE2 4.17Å; K247-Y251 HydrophobicContact CG-CE2 3.87Å; K247-Y251 WeakPolarHBondContact O-CD1 3.44Å; K247-Y251 VanDerWaalsContact O-CD2 3.26Å; K247-Y251 WeakPolarHBondContact O-CD2 3.34Å; K247-Y251 PolarHBondContact O-N 2.75Å; E248-Y251 PolarHBondContact O-N 3.44Å; Q249-Y251 VanDerWaalsContact C-N 3.35Å; Q249-Y251 PolarHBondContact O-N 3.01Å; Y251-L254 PolarHBondContact O-N 3.1Å; Y251-D255 WeakPolarHBondContact O-CB 3.47Å; Y251-D255 PolarHBondContact O-N 2.8Å; Y251-F343 HydrophobicContact CD1-CE2 4.16Å; Y251-F343 AromaticContact CD1-CZ 3.84Å; Y251-F343 HydrophobicContact CD1-CZ 3.84Å; Y251-F343 AromaticContact CD2-CZ 3.99Å; Y251-F343 HydrophobicContact CD2-CZ 3.99Å; Y251-F343 AromaticContact CE1-CE2 3.72Å; Y251-F343 HydrophobicContact CE1-CE2 3.72Å; Y251-F343 AromaticContact CE1-CZ 3.77Å; Y251-F343 HydrophobicContact CE1-CZ 3.77Å; Y251-F343 HydrophobicContact CE2-CE2 4.43Å; Y251-F343 AromaticContact CE2-CZ 3.91Å; Y251-F343 HydrophobicContact CE2-CZ 3.91Å; Y251-F343 AromaticContact CG-CZ 3.97Å; Y251-F343 HydrophobicContact CG-CZ 3.97Å; Y251-F343 AromaticContact CZ-CE2 3.88Å; Y251-F343 AromaticContact CZ-CZ 3.81Å; Y251-E648 WeakPolarHBondContact OH-CG 3.16Å; Y251-E648 PolarHBondContact OH-OE1 2.87Å; Y251-L651 HydrophobicContact CE1-CD2 4.32Å; Y251-L652 HydrophobicContact CE1-CD2 4.23Å
252Q98.5Very high96.8Very high120 Ų12050.3 Ų50.356%0.56124%0.239SC*.Hα-helixtrans-64.5-46.4175.7-70.316919.100111.9E248 Q249 F250 L254 D255 Q256E248-Q252 VanDerWaalsContact O-CG 3.3Å; E248-Q252 WeakPolarHBondContact O-CG 3.33Å; E248-Q252 PolarHBondContact O-N 3.46Å; E248-Q252 VanDerWaalsContact O-N 3.15Å; Q249-Q252 PolarHBondContact O-N 3.48Å; F250-Q252 VanDerWaalsContact C-N 3.33Å; F250-Q252 PolarHBondContact O-N 2.93Å; Q252-L254 VanDerWaalsContact C-N 3.33Å; Q252-D255 PolarHBondContact O-N 2.97Å; Q252-Q256 PolarHBondContact O-N 3.39Å; Q252-Q256 VanDerWaalsContact O-N 3.1Å
253D98.7Very high97.3Very high6 Ų650.2 Ų50.23%0.03224%0.239CC..Hα-helixtrans-69.1-33.5179.8-63.6-45.8000111.3Q249 F250 L287 K290 Y291Q249-D253 WeakPolarHBondContact CG-OD2 3.19Å; Q249-D253 PolarHBondContact NE2-OD1 2.89Å; Q249-D253 VanDerWaalsContact NE2-OD1 3.13Å; Q249-D253 PolarHBondContact NE2-OD2 2.93Å; Q249-D253 PolarHBondContact O-N 3.24Å; Q249-D253 VanDerWaalsContact O-OD2 3.04Å; F250-D253 PolarHBondContact O-N 3.39Å; D253-L287 HydrophobicContact CB-CD1 4.19Å; D253-L287 HydrophobicContact CB-CD2 4.13Å; D253-L287 WeakPolarHBondContact OD1-CD2 3.39Å; D253-K290 IonicContact OD1-NZ 3.8Å; D253-Y291 WeakPolarHBondContact CB-OH 3.29Å; D253-Y291 PolarHBondContact OD2-OH 2.96Å
254L98.7Very high97.5Very high1 Ų152.8 Ų52.81%0.00525%0.249CC..Hα-helixtrans-68.2-46.7173.6176.258.8000112F250 Y251 Q252 Q256 V257 L258 L336 I348 L356 L651F250-L254 HydrophobicContact CE1-CD2 4.38Å; F250-L254 HydrophobicContact CE2-CB 4.39Å; F250-L254 HydrophobicContact CZ-CD2 4.07Å; F250-L254 VanDerWaalsContact O-CB 3.24Å; F250-L254 WeakPolarHBondContact O-CB 3.44Å; F250-L254 PolarHBondContact O-N 2.85Å; Y251-L254 PolarHBondContact O-N 3.1Å; Q252-L254 VanDerWaalsContact C-N 3.33Å; L254-Q256 VanDerWaalsContact C-N 3.25Å; L254-Q256 PolarHBondContact O-N 2.89Å; L254-V257 PolarHBondContact O-N 3.16Å; L254-L258 HydrophobicContact CD1-CD1 3.92Å; L254-L258 HydrophobicContact CD1-CG 4.02Å; L254-L258 HydrophobicContact CD2-CD1 4.34Å; L254-L258 HydrophobicContact CG-CD1 3.79Å; L254-L258 HydrophobicContact CG-CG 4.33Å; L254-L258 PolarHBondContact O-N 2.73Å; L254-L336 HydrophobicContact CD2-CD1 4.28Å; L254-L336 HydrophobicContact CD2-CD2 4.17Å; L254-L336 HydrophobicContact CG-CD2 4.3Å; L254-I348 HydrophobicContact CD2-CD1 3.84Å; L254-L356 HydrophobicContact CD1-CB 4.08Å; L254-L356 HydrophobicContact CD1-CG 4.34Å; L254-L651 HydrophobicContact CD2-CD2 4.07Å
255D98.7Very high97.8Very high37 Ų3751.1 Ų51.120%0.19825%0.248CC..Hα-helixtrans-59.4-38.5177.3-17343000111.2Y251 Q252 V257 L258 Q259 L336Y251-D255 WeakPolarHBondContact O-CB 3.47Å; Y251-D255 PolarHBondContact O-N 2.8Å; Q252-D255 PolarHBondContact O-N 2.97Å; D255-V257 PolarHBondContact O-N 3.03Å; D255-L258 PolarHBondContact O-N 3.17Å; D255-Q259 WeakPolarHBondContact O-CB 3.17Å; D255-Q259 VanDerWaalsContact O-CG 3.24Å; D255-Q259 WeakPolarHBondContact O-CG 3.4Å; D255-Q259 PolarHBondContact O-N 2.94Å; D255-Q259 PolarHBondContact OD2-NE2 2.94Å; D255-L336 HydrophobicContact CB-CB 3.75Å; D255-L336 HydrophobicContact CB-CD2 4.2Å; D255-L336 VanDerWaalsContact OD1-CB 3.27Å; D255-L336 WeakPolarHBondContact OD1-CB 3.5Å; D255-L336 PolarHBondContact OD1-N 3.01Å
256Q98.5Very high98Very high89 Ų8948 Ų4842%0.41625%0.247SC..Hα-helixtrans-55.4-36.1174.8-171.3-177.4100112.8Q252 L254 T283Q252-Q256 PolarHBondContact O-N 3.39Å; Q252-Q256 VanDerWaalsContact O-N 3.1Å; L254-Q256 VanDerWaalsContact C-N 3.25Å; L254-Q256 PolarHBondContact O-N 2.89Å; Q256-T283 HydrophobicContact CG-CG2 3.9Å
257V98.7Very high98Very high0 Ų051 Ų510%027%0.268CS..Hα-helixtrans-87.5-35.6-179.5-1770000111.9L254 D255 Q259 I260 T283 V284 L287 L320 K352 L356L254-V257 PolarHBondContact O-N 3.16Å; D255-V257 PolarHBondContact O-N 3.03Å; V257-Q259 VanDerWaalsContact C-N 3.29Å; V257-Q259 PolarHBondContact O-N 3.35Å; V257-I260 PolarHBondContact O-N 2.89Å; V257-T283 HydrophobicContact CG2-CG2 4.09Å; V257-V284 HydrophobicContact CB-CG2 4.46Å; V257-V284 HydrophobicContact CG1-CG2 3.79Å; V257-V284 HydrophobicContact CG2-CG2 3.72Å; V257-L287 HydrophobicContact CG2-CD1 3.83Å; V257-L320 HydrophobicContact CG1-CD2 4.41Å; V257-K352 HydrophobicContact CG1-CD 4.12Å; V257-K352 HydrophobicContact CG1-CG 4.37Å; V257-K352 PolarHBondContact O-NZ 2.81Å; V257-L356 HydrophobicContact CG1-CD2 4.32Å; V257-L356 HydrophobicContact CG2-CD1 4.21Å; V257-L356 HydrophobicContact CG2-CG 4.41Å
258L98.1Very high98Very high0 Ų050.7 Ų50.70%027%0.274CS..Hα-helixtrans-67.8-27.7176.9-79.4173.4000113.1L254 D255 I260 F334 L336 R346 I348 K352L254-L258 HydrophobicContact CD1-CD1 3.92Å; L254-L258 HydrophobicContact CD1-CG 4.02Å; L254-L258 HydrophobicContact CD2-CD1 4.34Å; L254-L258 HydrophobicContact CG-CD1 3.79Å; L254-L258 HydrophobicContact CG-CG 4.33Å; L254-L258 PolarHBondContact O-N 2.73Å; D255-L258 PolarHBondContact O-N 3.17Å; L258-I260 PolarHBondContact O-N 3.12Å; L258-F334 CarbonylContact O-C 3.5Å; L258-F334 WeakPolarHBondContact O-CA 3.44Å; L258-L336 HydrophobicContact CD1-CB 3.97Å; L258-L336 HydrophobicContact CD1-CD1 3.58Å; L258-L336 HydrophobicContact CD1-CG 4.29Å; L258-R346 WeakPolarHBondContact CD2-O 3.32Å; L258-I348 HydrophobicContact CD1-CD1 4.14Å; L258-K352 HydrophobicContact CD2-CB 4.01Å; L258-K352 HydrophobicContact CD2-CD 3.88Å
259Q98.4Very high97.8Very high106 Ų10654.7 Ų54.750%0.49529%0.29SS..THydrogen-bonded Turntrans-64.3-15.1174.7-76.5176.817.900114.2D255 V257 F334D255-Q259 WeakPolarHBondContact O-CB 3.17Å; D255-Q259 VanDerWaalsContact O-CG 3.24Å; D255-Q259 WeakPolarHBondContact O-CG 3.4Å; D255-Q259 PolarHBondContact O-N 2.94Å; D255-Q259 PolarHBondContact OD2-NE2 2.94Å; V257-Q259 VanDerWaalsContact C-N 3.29Å; V257-Q259 PolarHBondContact O-N 3.35Å; Q259-F334 WeakPolarHBondContact CA-O 3.18Å
260I98.6Very high97.7Very high14 Ų1457.3 Ų57.37%0.07230%0.302CS..SBendtrans-89.1117.3-178.8-57.6164.6000109.3V257 L258 S262 E279 A280 T283 K352V257-I260 PolarHBondContact O-N 2.89Å; L258-I260 PolarHBondContact O-N 3.12Å; I260-S262 VanDerWaalsContact C-N 3.34Å; I260-S262 PolarHBondContact O-N 2.83Å; I260-E279 HydrophobicContact CD1-CG 4.19Å; I260-E279 HydrophobicContact CG1-CG 4.4Å; I260-E279 HydrophobicContact CG2-CB 3.98Å; I260-E279 HydrophobicContact CG2-CG 4.02Å; I260-A280 HydrophobicContact CB-CB 4.43Å; I260-A280 HydrophobicContact CD1-CB 4.4Å; I260-A280 HydrophobicContact CG2-CB 4.05Å; I260-T283 HydrophobicContact CD1-CG2 3.95Å; I260-T283 VanDerWaalsContact CD1-OG1 3.24Å; I260-T283 WeakPolarHBondContact CD1-OG1 3.37Å; I260-K352 PolarHBondContact O-NZ 3.3Å
261E98.3Very high97.7Very high118 Ų11857.5 Ų57.555%0.55130%0.304SS*.  trans-7188170.5179.1168.6-157.100110.3V263 G276 F334E261-V263 VanDerWaalsContact C-N 3.27Å; E261-V263 HydrophobicContact CG-CB 4.46Å; E261-V263 HydrophobicContact CG-CG2 3.91Å; E261-V263 PolarHBondContact O-N 2.92Å; E261-G276 VanDerWaalsContact O-CA 3.31Å; E261-G276 WeakPolarHBondContact O-CA 3.04Å; E261-F334 HydrophobicContact CB-CD1 4.14Å; E261-F334 HydrophobicContact CB-CD2 3.96Å; E261-F334 HydrophobicContact CB-CE1 4.03Å; E261-F334 HydrophobicContact CB-CE2 3.84Å; E261-F334 HydrophobicContact CB-CG 4.11Å; E261-F334 HydrophobicContact CB-CZ 3.88Å; E261-F334 VanDerWaalsContact CD-CE2 3.49Å; E261-F334 HydrophobicContact CG-CD2 4.2Å; E261-F334 HydrophobicContact CG-CE1 4.02Å; E261-F334 HydrophobicContact CG-CE2 3.56Å; E261-F334 HydrophobicContact CG-CZ 3.46Å; E261-F334 VanDerWaalsContact CG-CZ 3.46Å
262S98.4Very high97.7Very high0 Ų058.8 Ų58.80%031%0.314CS..  trans-92.144.3-177.149.40000112.9I260 L320 D321 V322 K352I260-S262 VanDerWaalsContact C-N 3.34Å; I260-S262 PolarHBondContact O-N 2.83Å; S262-L320 VanDerWaalsContact CB-O 3.24Å; S262-L320 WeakPolarHBondContact CB-O 3.41Å; S262-L320 PolarHBondContact OG-O 3.31Å; S262-D321 VanDerWaalsContact O-CA 3.22Å; S262-D321 WeakPolarHBondContact O-CA 3.47Å; S262-D321 WeakPolarHBondContact O-CB 3.35Å; S262-V322 PolarHBondContact O-N 3.19Å; S262-V322 VanDerWaalsContact O-N 3.1Å; S262-K352 WeakPolarHBondContact OG-CE 3.37Å; S262-K352 PolarHBondContact OG-NZ 3.1Å
263V98.2Very high97.6Very high27 Ų2753.9 Ų53.916%0.16429%0.291CS..  trans-79.2137.1174.4-179.50000109.6E261 S265 P277 V322 P324 F334E261-V263 VanDerWaalsContact C-N 3.27Å; E261-V263 HydrophobicContact CG-CB 4.46Å; E261-V263 HydrophobicContact CG-CG2 3.91Å; E261-V263 PolarHBondContact O-N 2.92Å; V263-S265 PolarHBondContact O-N 2.67Å; V263-P277 WeakPolarHBondContact O-CD 3.36Å; V263-V322 WeakPolarHBondContact CA-O 3.31Å; V263-V322 HydrophobicContact CG2-CG2 4.03Å; V263-P324 HydrophobicContact CG1-CB 4.46Å; V263-P324 HydrophobicContact CG1-CG 3.8Å; V263-F334 HydrophobicContact CG2-CZ 4.4Å
264K97.8Very high97.6Very high76 Ų7653.6 Ų53.633%0.3329%0.29SS..  trans-54.7131.6175.1-176176.1-166.5151.60110.6F273 D383 N386K264-F273 WeakPolarHBondContact CA-O 3.38Å; K264-D383 WeakPolarHBondContact CD-OD1 3.28Å; K264-D383 WeakPolarHBondContact CE-OD1 3.35Å; K264-D383 IonicContact NZ-OD1 3.13Å; K264-D383 PolarHBondContact NZ-OD1 2.59Å; K264-D383 IonicContact NZ-OD2 3.85Å; K264-D383 PolarHBondContact NZ-OD2 3.33Å; K264-N386 HydrophobicContact CD-CB 3.51Å; K264-N386 WeakPolarHBondContact CD-OD1 3.32Å
265S96.4Very high97.6Very high57 Ų5760.9 Ų60.940%0.39932%0.321SS..  trans-139.9-179.2178.6530000111V263 F273 G274V263-S265 PolarHBondContact O-N 2.67Å; S265-F273 PolarHBondContact N-O 2.72Å; S265-F273 VanDerWaalsContact N-O 3.08Å; S265-F273 CarbonylContact O-C 3.54Å; S265-G274 WeakPolarHBondContact OG-CA 3.38Å
266A96.4Very high97.5Very high80 Ų8059.6 Ų59.666%0.66132%0.317SS*.SBendtrans-53.1133.7179.700000110.9A268A266-A268 PolarHBondContact O-N 3.19Å
267P97.1Very high97.5Very high104 Ų10455.4 Ų55.468%0.67530%0.298SS*.  trans-53.2137.8177.6-24.931.5000111.6P272P267-P272 WeakPolarHBondContact CB-O 3.3Å; P267-P272 WeakPolarHBondContact CG-O 3.36Å
268A95.6Very high97.5Very high37 Ų3756.7 Ų56.731%0.30630%0.303SS..BIsolated β-bridgetrans-124.8172.1173.200000110.3A266 Q270 A271 K275A266-A268 PolarHBondContact O-N 3.19Å; A268-Q270 PolarHBondContact O-N 3.16Å; A268-Q270 VanDerWaalsContact O-N 3.15Å; A268-A271 HydrophobicContact CB-CB 4.11Å; A268-A271 PolarHBondContact N-O 2.95Å; A268-A271 CarbonylContact O-C 3.59Å; A268-A271 PolarHBondContact O-N 3.1Å; A268-K275 HydrophobicContact CB-CG 4.26Å
269K94.5Very high97.6Very high191 Ų19162 Ų6283%0.8333%0.328SS*.THydrogen-bonded Turntrans-55.8122.7177.7-175.5179-179.1-177.90109.8A271K269-A271 PolarHBondContact O-N 3.21Å
270Q96.2Very high97.6Very high122 Ų12256.9 Ų56.957%0.5730%0.304SS*.THydrogen-bonded Turntrans59.526.1-177.8-59.5174.1-57.100113.9A268 K278 D300A268-Q270 PolarHBondContact O-N 3.16Å; A268-Q270 VanDerWaalsContact O-N 3.15Å; Q270-K278 WeakPolarHBondContact O-CD 3.33Å; Q270-K278 WeakPolarHBondContact O-CE 3.2Å; Q270-K278 PolarHBondContact O-NZ 2.85Å; Q270-D300 WeakPolarHBondContact CA-OD2 3.34Å; Q270-D300 HydrophobicContact CB-CB 4.43Å; Q270-D300 VanDerWaalsContact CB-OD2 3.3Å; Q270-D300 WeakPolarHBondContact CB-OD2 3.5Å; Q270-D300 WeakPolarHBondContact CG-OD2 3.48Å; Q270-D300 WeakPolarHBondContact O-CB 3.31Å
271A97.7Very high97.6Very high6 Ų656.2 Ų56.25%0.0530%0.301CS..BIsolated β-bridgetrans-14771.7-177.900000108.7A268 K269 F273 G274 K278A268-A271 HydrophobicContact CB-CB 4.11Å; A268-A271 PolarHBondContact N-O 2.95Å; A268-A271 CarbonylContact O-C 3.59Å; A268-A271 PolarHBondContact O-N 3.1Å; K269-A271 PolarHBondContact O-N 3.21Å; A271-F273 PolarHBondContact O-N 2.95Å; A271-G274 PolarHBondContact O-N 3.47Å; A271-K278 HydrophobicContact CB-CB 3.8Å; A271-K278 HydrophobicContact CB-CG 4.06Å
272P97.7Very high97.6Very high44 Ų4454.8 Ų54.829%0.28630%0.296SS..THydrogen-bonded Turntrans-59.2-28.7-172.722.2-32.4000113.4P267 A301P267-P272 WeakPolarHBondContact CB-O 3.3Å; P267-P272 WeakPolarHBondContact CG-O 3.36Å; P272-A301 HydrophobicContact CG-CB 4.14Å
273F97.9Very high97.6Very high16 Ų1655.9 Ų55.97%0.0730%0.303CS..THydrogen-bonded Turntrans-106.912.4178.9-49.6-61.8000113.4K264 S265 A271 A301 T382 D383 S389 D390 L393K264-F273 WeakPolarHBondContact CA-O 3.38Å; S265-F273 PolarHBondContact N-O 2.72Å; S265-F273 VanDerWaalsContact N-O 3.08Å; S265-F273 CarbonylContact O-C 3.54Å; A271-F273 PolarHBondContact O-N 2.95Å; F273-A301 HydrophobicContact CD2-CB 4.45Å; F273-A301 HydrophobicContact CE2-CB 3.68Å; F273-T382 WeakPolarHBondContact CD2-OG1 3.49Å; F273-D383 HydrophobicContact CD1-CB 3.8Å; F273-D383 VanDerWaalsContact CD1-CG 3.41Å; F273-D383 WeakPolarHBondContact CD1-OD1 3.49Å; F273-D383 HydrophobicContact CD2-CB 3.86Å; F273-D383 HydrophobicContact CE1-CB 3.92Å; F273-D383 HydrophobicContact CE2-CB 3.95Å; F273-D383 HydrophobicContact CG-CB 3.77Å; F273-D383 HydrophobicContact CZ-CB 3.98Å; F273-S389 WeakPolarHBondContact CE1-OG 3.43Å; F273-D390 HydrophobicContact CD2-CB 4.39Å; F273-D390 HydrophobicContact CE2-CB 3.52Å; F273-D390 HydrophobicContact CZ-CB 3.91Å; F273-L393 HydrophobicContact CE2-CD1 4.25Å; F273-L393 HydrophobicContact CZ-CD1 3.93Å
274G98Very high97.7Very high1 Ų154.6 Ų54.61%0.0130%0.295CS..  trans99.9173.3178.200000114.4S265 A271 K278S265-G274 WeakPolarHBondContact OG-CA 3.38Å; A271-G274 PolarHBondContact O-N 3.47Å; G274-K278 PolarHBondContact O-N 3.43Å
275K97.9Very high97.7Very high153 Ų15351.2 Ų51.267%0.66528%0.281SS*.Hα-helixtrans-69.6-40.5-168.5-67.4-179.5-178.9175.40113.3A268 K278 E279A268-K275 HydrophobicContact CB-CG 4.26Å; K275-K278 PolarHBondContact O-N 3.02Å; K275-E279 WeakPolarHBondContact O-CB 3.42Å; K275-E279 PolarHBondContact O-N 2.92Å
276G98.3Very high97.8Very high11 Ų1152 Ų5211%0.11329%0.286CS..Hα-helixtrans-59.6-57.2-17900000113E261 K278 E279 A280E261-G276 VanDerWaalsContact O-CA 3.31Å; E261-G276 WeakPolarHBondContact O-CA 3.04Å; G276-K278 PolarHBondContact O-N 3.02Å; G276-E279 PolarHBondContact O-N 2.81Å; G276-E279 VanDerWaalsContact O-N 3.09Å; G276-A280 PolarHBondContact O-N 3.19Å
277P98.5Very high97.9Very high1 Ų148.4 Ų48.41%0.00626%0.256CS..Hα-helixtrans-57-38.3176-24.331.8000112.8V263 A280 L281 D321 T382V263-P277 WeakPolarHBondContact O-CD 3.36Å; P277-A280 PolarHBondContact O-N 2.87Å; P277-L281 WeakPolarHBondContact O-CB 3.33Å; P277-L281 PolarHBondContact O-N 2.85Å; P277-D321 HydrophobicContact CB-CB 4.47Å; P277-D321 HydrophobicContact CG-CB 4.35Å; P277-T382 HydrophobicContact CB-CG2 4.31Å
278K98.5Very high98Very high26 Ų2643.5 Ų43.511%0.11322%0.224CC..Hα-helixtrans-63.4-42.3174.8-177.457.6168.4-162.90112.9Q270 A271 G274 K275 G276 L281 L282 D300Q270-K278 WeakPolarHBondContact O-CD 3.33Å; Q270-K278 WeakPolarHBondContact O-CE 3.2Å; Q270-K278 PolarHBondContact O-NZ 2.85Å; A271-K278 HydrophobicContact CB-CB 3.8Å; A271-K278 HydrophobicContact CB-CG 4.06Å; G274-K278 PolarHBondContact O-N 3.43Å; K275-K278 PolarHBondContact O-N 3.02Å; G276-K278 PolarHBondContact O-N 3.02Å; K278-L281 WeakPolarHBondContact O-CB 3.43Å; K278-L281 PolarHBondContact O-N 2.88Å; K278-L282 HydrophobicContact CD-CD1 4.45Å; K278-L282 HydrophobicContact CD-CG 4.31Å; K278-L282 HydrophobicContact CG-CD1 4.22Å; K278-L282 VanDerWaalsContact O-CG 3.31Å; K278-L282 WeakPolarHBondContact O-CG 3.26Å; K278-L282 PolarHBondContact O-N 3.05Å; K278-D300 PolarHBondContact NZ-O 2.8Å; K278-D300 IonicContact NZ-OD1 2.85Å; K278-D300 PolarHBondContact NZ-OD1 3.35Å
279E98.5Very high98.1Very high111 Ų11146.5 Ų46.552%0.51923%0.23SC..Hα-helixtrans-65.8-41.9178.8-175.7173.3-177.300111.7I260 K275 G276 L281 L282 T283I260-E279 HydrophobicContact CD1-CG 4.19Å; I260-E279 HydrophobicContact CG1-CG 4.4Å; I260-E279 HydrophobicContact CG2-CB 3.98Å; I260-E279 HydrophobicContact CG2-CG 4.02Å; K275-E279 WeakPolarHBondContact O-CB 3.42Å; K275-E279 PolarHBondContact O-N 2.92Å; G276-E279 PolarHBondContact O-N 2.81Å; G276-E279 VanDerWaalsContact O-N 3.09Å; E279-L281 VanDerWaalsContact C-N 3.34Å; E279-L281 PolarHBondContact O-N 2.96Å; E279-L282 PolarHBondContact O-N 3.27Å; E279-T283 WeakPolarHBondContact O-CB 3.43Å; E279-T283 PolarHBondContact O-N 3.49Å; E279-T283 PolarHBondContact O-OG1 2.82Å
280A98.7Very high98.3Very high0 Ų044 Ų440%022%0.219CC..Hα-helixtrans-59.7-46.8173.500000110.8I260 G276 P277 L282 T283 V284 L320I260-A280 HydrophobicContact CB-CB 4.43Å; I260-A280 HydrophobicContact CD1-CB 4.4Å; I260-A280 HydrophobicContact CG2-CB 4.05Å; G276-A280 PolarHBondContact O-N 3.19Å; P277-A280 PolarHBondContact O-N 2.87Å; A280-L282 PolarHBondContact O-N 2.91Å; A280-T283 PolarHBondContact O-N 2.84Å; A280-V284 WeakPolarHBondContact O-CG2 3.46Å; A280-V284 PolarHBondContact O-N 2.87Å; A280-L320 HydrophobicContact CB-CB 4.09Å; A280-L320 HydrophobicContact CB-CD1 4.41Å
281L98.8Very high98.4Very high0 Ų039.3 Ų39.30%020%0.197CC..Hα-helixtrans-57.9-49.1176.6-179.460.3000112.2P277 K278 E279 T283 V284 M285 I297 L320 F380 T382P277-L281 WeakPolarHBondContact O-CB 3.33Å; P277-L281 PolarHBondContact O-N 2.85Å; K278-L281 WeakPolarHBondContact O-CB 3.43Å; K278-L281 PolarHBondContact O-N 2.88Å; E279-L281 VanDerWaalsContact C-N 3.34Å; E279-L281 PolarHBondContact O-N 2.96Å; L281-T283 VanDerWaalsContact C-N 3.3Å; L281-T283 PolarHBondContact O-N 3.43Å; L281-V284 PolarHBondContact O-N 3.31Å; L281-M285 HydrophobicContact CD1-CE 4.4Å; L281-M285 HydrophobicContact CD1-CG 4.26Å; L281-M285 WeakPolarHBondContact O-CB 3.4Å; L281-M285 WeakPolarHBondContact O-CG 3.38Å; L281-M285 PolarHBondContact O-N 3.43Å; L281-I297 HydrophobicContact CD2-CG1 4.49Å; L281-I297 HydrophobicContact CD2-CG2 4Å; L281-I297 HydrophobicContact CG-CD1 4.46Å; L281-L320 HydrophobicContact CB-CD1 4.27Å; L281-L320 HydrophobicContact CD1-CD1 4.23Å; L281-F380 HydrophobicContact CD1-CB 4.25Å; L281-T382 HydrophobicContact CB-CG2 3.92Å; L281-T382 HydrophobicContact CD1-CG2 4.47Å; L281-T382 HydrophobicContact CD2-CG2 4.08Å; L281-T382 HydrophobicContact CG-CG2 4.38Å
282L98.7Very high98.3Very high87 Ų8740.6 Ų40.646%0.45521%0.211SC..Hα-helixtrans-62.8-37.3179-70.8174.6000112.4K278 E279 A280 M285 S286 I297K278-L282 HydrophobicContact CD-CD1 4.45Å; K278-L282 HydrophobicContact CD-CG 4.31Å; K278-L282 HydrophobicContact CG-CD1 4.22Å; K278-L282 VanDerWaalsContact O-CG 3.31Å; K278-L282 WeakPolarHBondContact O-CG 3.26Å; K278-L282 PolarHBondContact O-N 3.05Å; E279-L282 PolarHBondContact O-N 3.27Å; A280-L282 PolarHBondContact O-N 2.91Å; L282-M285 PolarHBondContact O-N 3.39Å; L282-S286 PolarHBondContact O-N 3.42Å; L282-I297 HydrophobicContact CD2-CD1 3.74Å
283T98.8Very high98.3Very high23 Ų2338.6 Ų38.614%0.14120%0.197CC..Hα-helixtrans-65.4-47.9177.9-61.30000111.1Q256 V257 I260 E279 A280 L281 M285 S286 L287Q256-T283 HydrophobicContact CG-CG2 3.9Å; V257-T283 HydrophobicContact CG2-CG2 4.09Å; I260-T283 HydrophobicContact CD1-CG2 3.95Å; I260-T283 VanDerWaalsContact CD1-OG1 3.24Å; I260-T283 WeakPolarHBondContact CD1-OG1 3.37Å; E279-T283 WeakPolarHBondContact O-CB 3.43Å; E279-T283 PolarHBondContact O-N 3.49Å; E279-T283 PolarHBondContact O-OG1 2.82Å; A280-T283 PolarHBondContact O-N 2.84Å; L281-T283 VanDerWaalsContact C-N 3.3Å; L281-T283 PolarHBondContact O-N 3.43Å; T283-M285 PolarHBondContact O-N 2.99Å; T283-S286 VanDerWaalsContact O-CB 3.29Å; T283-S286 WeakPolarHBondContact O-CB 3.25Å; T283-S286 PolarHBondContact O-N 3.49Å; T283-S286 VanDerWaalsContact O-N 3.13Å; T283-L287 PolarHBondContact O-N 2.75Å
284V98.8Very high98.2Very high0 Ų041.7 Ų41.70%021%0.211CC..Hα-helixtrans-64.6-39.3176.8174.60000111.6V257 A280 L281 S286 L287 A288 L320 L356 L359 F380V257-V284 HydrophobicContact CB-CG2 4.46Å; V257-V284 HydrophobicContact CG1-CG2 3.79Å; V257-V284 HydrophobicContact CG2-CG2 3.72Å; A280-V284 WeakPolarHBondContact O-CG2 3.46Å; A280-V284 PolarHBondContact O-N 2.87Å; L281-V284 PolarHBondContact O-N 3.31Å; V284-S286 VanDerWaalsContact C-N 3.27Å; V284-S286 PolarHBondContact O-N 2.9Å; V284-L287 PolarHBondContact O-N 3.37Å; V284-A288 WeakPolarHBondContact O-CB 3.39Å; V284-A288 PolarHBondContact O-N 2.83Å; V284-L320 HydrophobicContact CB-CD1 4.15Å; V284-L320 HydrophobicContact CG2-CD1 3.89Å; V284-L320 HydrophobicContact CG2-CD2 3.85Å; V284-L356 HydrophobicContact CG2-CD1 4.45Å; V284-L356 HydrophobicContact CG2-CD2 4.1Å; V284-L359 HydrophobicContact CG1-CD2 4.02Å; V284-F380 HydrophobicContact CG1-CD1 3.66Å; V284-F380 HydrophobicContact CG1-CD2 4.02Å; V284-F380 HydrophobicContact CG1-CE1 3.47Å; V284-F380 VanDerWaalsContact CG1-CE1 3.47Å; V284-F380 HydrophobicContact CG1-CE2 3.86Å; V284-F380 HydrophobicContact CG1-CG 3.92Å; V284-F380 HydrophobicContact CG1-CZ 3.57Å
285M98.8Very high98.2Very high5 Ų543.1 Ų43.13%0.02522%0.219CC..Hα-helixtrans-63.1-33.9174.2-69.2-59.9100.900112.5L281 L282 T283 K289 T295 I297 F380L281-M285 HydrophobicContact CD1-CE 4.4Å; L281-M285 HydrophobicContact CD1-CG 4.26Å; L281-M285 WeakPolarHBondContact O-CB 3.4Å; L281-M285 WeakPolarHBondContact O-CG 3.38Å; L281-M285 PolarHBondContact O-N 3.43Å; L282-M285 PolarHBondContact O-N 3.39Å; T283-M285 PolarHBondContact O-N 2.99Å; M285-K289 WeakPolarHBondContact O-CB 3.43Å; M285-K289 VanDerWaalsContact O-CG 3.25Å; M285-K289 WeakPolarHBondContact O-CG 3.23Å; M285-K289 PolarHBondContact O-N 3.46Å; M285-K289 VanDerWaalsContact O-N 3.09Å; M285-T295 HydrophobicContact SD-CG2 4.3Å; M285-I297 HydrophobicContact CG-CD1 3.99Å; M285-I297 HydrophobicContact CG-CG1 3.84Å; M285-I297 HydrophobicContact SD-CG1 4.33Å; M285-F380 HydrophobicContact CE-CD2 3.31Å; M285-F380 HydrophobicContact CE-CE2 3.64Å; M285-F380 HydrophobicContact CE-CG 4.22Å
286S98.7Very high98.2Very high74 Ų7437.2 Ų37.252%0.51720%0.199SC..Hα-helixtrans-65.7-46.2172.9-169.30000111.9L282 T283 V284 K289 K290L282-S286 PolarHBondContact O-N 3.42Å; T283-S286 VanDerWaalsContact O-CB 3.29Å; T283-S286 WeakPolarHBondContact O-CB 3.25Å; T283-S286 PolarHBondContact O-N 3.49Å; T283-S286 VanDerWaalsContact O-N 3.13Å; V284-S286 VanDerWaalsContact C-N 3.27Å; V284-S286 PolarHBondContact O-N 2.9Å; S286-K289 PolarHBondContact O-N 2.89Å; S286-K290 PolarHBondContact O-N 2.83Å
287L98.6Very high98.3Very high5 Ų539.4 Ų39.43%0.02621%0.207CC..Hα-helixtrans-60.4-48.7175-72.2172.3000112.1D253 V257 T283 V284 K289 K290 Y291 L356D253-L287 HydrophobicContact CB-CD1 4.19Å; D253-L287 HydrophobicContact CB-CD2 4.13Å; D253-L287 WeakPolarHBondContact OD1-CD2 3.39Å; V257-L287 HydrophobicContact CG2-CD1 3.83Å; T283-L287 PolarHBondContact O-N 2.75Å; V284-L287 PolarHBondContact O-N 3.37Å; L287-K289 VanDerWaalsContact C-N 3.29Å; L287-K289 PolarHBondContact O-N 3.07Å; L287-K290 WeakPolarHBondContact O-CA 3.24Å; L287-K290 WeakPolarHBondContact O-CB 3.47Å; L287-K290 PolarHBondContact O-N 3.09Å; L287-Y291 PolarHBondContact O-N 3.09Å; L287-L356 HydrophobicContact CD1-CD1 4.45Å
288A98.7Very high98.3Very high0 Ų039.7 Ų39.70%021%0.209CC..Hα-helixtrans-59.4-39177.800000112.5V284 Y291 G292 F293 T295 A305 L359V284-A288 WeakPolarHBondContact O-CB 3.39Å; V284-A288 PolarHBondContact O-N 2.83Å; A288-Y291 PolarHBondContact O-N 2.85Å; A288-G292 PolarHBondContact O-N 3.28Å; A288-F293 WeakPolarHBondContact O-CB 3.3Å; A288-F293 PolarHBondContact O-N 3.18Å; A288-T295 HydrophobicContact CB-CG2 3.67Å; A288-A305 HydrophobicContact CB-CB 3.62Å; A288-L359 HydrophobicContact CB-CD1 4.1Å; A288-L359 HydrophobicContact CB-CD2 4.33Å
289K98.4Very high98.2Very high100 Ų10041.4 Ų41.444%0.43522%0.219SC..Hα-helixtrans-64.9-41.5172.5-75.6172.4-172.8174.90112M285 S286 L287 Y291 G292 T295M285-K289 WeakPolarHBondContact O-CB 3.43Å; M285-K289 VanDerWaalsContact O-CG 3.25Å; M285-K289 WeakPolarHBondContact O-CG 3.23Å; M285-K289 PolarHBondContact O-N 3.46Å; M285-K289 VanDerWaalsContact O-N 3.09Å; S286-K289 PolarHBondContact O-N 2.89Å; L287-K289 VanDerWaalsContact C-N 3.29Å; L287-K289 PolarHBondContact O-N 3.07Å; K289-Y291 VanDerWaalsContact C-N 3.3Å; K289-Y291 PolarHBondContact O-N 3.32Å; K289-G292 WeakPolarHBondContact O-CA 3.42Å; K289-G292 PolarHBondContact O-N 2.97Å; K289-T295 WeakPolarHBondContact CE-OG1 3.24Å; K289-T295 HydrophobicContact CG-CG2 3.8Å; K289-T295 WeakPolarHBondContact CG-OG1 3.48Å
290K98Very high98.2Very high139 Ų13938.7 Ų38.760%0.60421%0.208SC*.Hα-helixtrans-60.8-38175.8-179.6-172170.4-163.70111.4D253 S286 L287 G292D253-K290 IonicContact OD1-NZ 3.8Å; S286-K290 PolarHBondContact O-N 2.83Å; L287-K290 WeakPolarHBondContact O-CA 3.24Å; L287-K290 WeakPolarHBondContact O-CB 3.47Å; L287-K290 PolarHBondContact O-N 3.09Å; K290-G292 PolarHBondContact O-N 2.92Å
291Y97.6Very high98.1Very high24 Ų2438.7 Ų38.79%0.09421%0.208CC..THydrogen-bonded Turntrans-74.4-0.6172-56.3-18.2000113.7D253 L287 A288 K289 F293 L359 F360 K363 K366D253-Y291 WeakPolarHBondContact CB-OH 3.29Å; D253-Y291 PolarHBondContact OD2-OH 2.96Å; L287-Y291 PolarHBondContact O-N 3.09Å; A288-Y291 PolarHBondContact O-N 2.85Å; K289-Y291 VanDerWaalsContact C-N 3.3Å; K289-Y291 PolarHBondContact O-N 3.32Å; Y291-F293 HydrophobicContact CD2-CE2 4.18Å; Y291-F293 HydrophobicContact CG-CE2 4.44Å; Y291-L359 HydrophobicContact CD2-CD1 4.38Å; Y291-L359 HydrophobicContact CD2-CD2 4.46Å; Y291-L359 HydrophobicContact CD2-CG 4.13Å; Y291-L359 HydrophobicContact CE2-CD2 4.21Å; Y291-L359 HydrophobicContact CE2-CG 4.07Å; Y291-F360 HydrophobicContact CE2-CD2 4.29Å; Y291-F360 WeakPolarHBondContact OH-CD2 3.14Å; Y291-K363 HydrophobicContact CD1-CD 3.56Å; Y291-K363 HydrophobicContact CD1-CG 4.14Å; Y291-K363 HydrophobicContact CD2-CB 3.84Å; Y291-K363 HydrophobicContact CD2-CD 3.98Å; Y291-K363 HydrophobicContact CD2-CG 4.18Å; Y291-K363 HydrophobicContact CE1-CD 3.69Å; Y291-K363 HydrophobicContact CE2-CB 4.4Å; Y291-K363 HydrophobicContact CE2-CD 4.09Å; Y291-K363 HydrophobicContact CG-CB 4.01Å; Y291-K363 HydrophobicContact CG-CD 3.73Å; Y291-K363 HydrophobicContact CG-CG 3.87Å; Y291-K366 PolarHBondContact O-NZ 3.43Å
292G96Very high98.1Very high33 Ų3338.7 Ų38.734%0.3421%0.208SC..THydrogen-bonded Turntrans81.412.6175.500000114.9K8 A288 K289 K290 K366K8-G292 PolarHBondContact NZ-O 3.04Å; K8-G292 VanDerWaalsContact NZ-O 3.17Å; A288-G292 PolarHBondContact O-N 3.28Å; K289-G292 WeakPolarHBondContact O-CA 3.42Å; K289-G292 PolarHBondContact O-N 2.97Å; K290-G292 PolarHBondContact O-N 2.92Å; G292-K366 PolarHBondContact O-NZ 3.4Å
293F97.4Very high98.1Very high1 Ų134.5 Ų34.50%0.00419%0.186CC..  trans-72.2156175.7-64.1-63.7000111.9K8 A288 Y291 A305 W307 L359 L362 K363 K366K8-F293 WeakPolarHBondContact CE-O 3.04Å; K8-F293 PolarHBondContact NZ-O 2.82Å; A288-F293 WeakPolarHBondContact O-CB 3.3Å; A288-F293 PolarHBondContact O-N 3.18Å; Y291-F293 HydrophobicContact CD2-CE2 4.18Å; Y291-F293 HydrophobicContact CG-CE2 4.44Å; F293-A305 HydrophobicContact CB-CB 4.03Å; F293-A305 HydrophobicContact CD2-CB 4.44Å; F293-A305 HydrophobicContact CG-CB 4.35Å; F293-W307 HydrophobicContact CD1-CB 3.93Å; F293-W307 HydrophobicContact CE1-CB 3.85Å; F293-W307 HydrophobicContact CE1-CG 4.2Å; F293-L359 HydrophobicContact CD2-CD1 4.01Å; F293-L359 HydrophobicContact CE2-CD1 4.05Å; F293-L362 HydrophobicContact CD1-CD2 4.43Å; F293-L362 HydrophobicContact CE1-CD2 3.84Å; F293-L362 HydrophobicContact CE1-CG 3.87Å; F293-L362 HydrophobicContact CZ-CB 4.09Å; F293-L362 HydrophobicContact CZ-CD2 3.97Å; F293-L362 HydrophobicContact CZ-CG 3.73Å; F293-K363 HydrophobicContact CE2-CB 4.12Å; F293-K363 HydrophobicContact CZ-CB 4.32Å; F293-K366 HydrophobicContact CD1-CD 4.11Å; F293-K366 HydrophobicContact CE1-CB 4.34Å; F293-K366 HydrophobicContact CE1-CD 3.51Å; F293-K366 HydrophobicContact CZ-CB 4.42Å; F293-K366 HydrophobicContact CZ-CD 4.02Å
294K96.8Very high98.1Very high82 Ų8234 Ų3436%0.35718%0.182SC..EExtended strand (participates in β ladder)trans-77.9136.3167.2176.2-176.4176.4-172.90106.8K8 A305 Q306K8-K294 VanDerWaalsContact NZ-N 3.12Å; K294-A305 CarbonylContact O-C 3.59Å; K294-A305 WeakPolarHBondContact O-CA 3.33Å; K294-Q306 HydrophobicContact CB-CB 4.24Å; K294-Q306 PolarHBondContact N-O 3.47Å; K294-Q306 PolarHBondContact O-N 3.02Å
295T98.4Very high98.1Very high31 Ų3134 Ų3419%0.1918%0.182CC..EExtended strand (participates in β ladder)trans-132.3143.1-176.461.90000111.2M285 A288 K289 Y304M285-T295 HydrophobicContact SD-CG2 4.3Å; A288-T295 HydrophobicContact CB-CG2 3.67Å; K289-T295 WeakPolarHBondContact CE-OG1 3.24Å; K289-T295 HydrophobicContact CG-CG2 3.8Å; K289-T295 WeakPolarHBondContact CG-OG1 3.48Å; T295-Y304 WeakPolarHBondContact CA-O 3.24Å
296A98.2Very high98.1Very high28 Ų2834.1 Ų34.123%0.23118%0.182CC..EExtended strand (participates in β ladder)trans-137161.7166.400000110.2I298 G303 Y304A296-I298 HydrophobicContact CB-CD1 4.29Å; A296-G303 CarbonylContact O-C 3.52Å; A296-G303 WeakPolarHBondContact O-CA 3.35Å; A296-Y304 HydrophobicContact CB-CD1 4.26Å; A296-Y304 HydrophobicContact CB-CE1 3.59Å; A296-Y304 HydrophobicContact CB-CE2 3.94Å; A296-Y304 WeakPolarHBondContact CB-OH 3.4Å; A296-Y304 PolarHBondContact N-O 2.99Å; A296-Y304 PolarHBondContact O-N 3.42Å
297I98.6Very high97.9Very high57 Ų5732.5 Ų32.529%0.29217%0.165SC..EExtended strand (participates in β ladder)trans-123.1126169.7-64.7174000106.2L281 L282 M285 V302L281-I297 HydrophobicContact CD2-CG1 4.49Å; L281-I297 HydrophobicContact CD2-CG2 4Å; L281-I297 HydrophobicContact CG-CD1 4.46Å; L282-I297 HydrophobicContact CD2-CD1 3.74Å; M285-I297 HydrophobicContact CG-CD1 3.99Å; M285-I297 HydrophobicContact CG-CG1 3.84Å; M285-I297 HydrophobicContact SD-CG1 4.33Å; I297-V302 CarbonylContact C-O 3.53Å; I297-V302 WeakPolarHBondContact CA-O 3.5Å
298I98.4Very high97.5Very high8 Ų833.2 Ų33.24%0.04117%0.173CC..EExtended strand (participates in β ladder)trans-106.3126.1-176.3-51.6-55000108.3A296 D300 A301 V302 Y304 Y394 E397 E398A296-I298 HydrophobicContact CB-CD1 4.29Å; I298-D300 PolarHBondContact O-N 3.39Å; I298-A301 PolarHBondContact O-N 2.95Å; I298-V302 PolarHBondContact N-O 2.94Å; I298-V302 PolarHBondContact O-N 2.82Å; I298-V302 VanDerWaalsContact O-N 3.14Å; I298-Y304 HydrophobicContact CD1-CE1 4.12Å; I298-Y304 HydrophobicContact CG1-CD1 4.43Å; I298-Y304 HydrophobicContact CG1-CE1 4.23Å; I298-Y394 HydrophobicContact CB-CD2 4.3Å; I298-Y394 HydrophobicContact CG1-CD2 4.05Å; I298-Y394 HydrophobicContact CG1-CE2 4.32Å; I298-E397 HydrophobicContact CG2-CB 3.78Å; I298-E397 HydrophobicContact CG2-CG 4.21Å; I298-E398 HydrophobicContact CD1-CG 3.89Å; I298-E398 HydrophobicContact CG1-CG 3.88Å
299N97.9Very high97Very high61 Ų6139.8 Ų39.833%0.32620%0.204SC..THydrogen-bonded Turntrans5127.1179.6-78.3-69.9000115.4A301 L393 S396 E397N299-A301 HydrophobicContact CB-CB 4.48Å; N299-A301 PolarHBondContact O-N 3.47Å; N299-L393 HydrophobicContact CB-CB 3.78Å; N299-L393 HydrophobicContact CB-CD1 4.41Å; N299-L393 HydrophobicContact CB-CG 4.48Å; N299-L393 PolarHBondContact ND2-O 3.06Å; N299-S396 PolarHBondContact ND2-OG 3.37Å; N299-E397 PolarHBondContact ND2-OE1 3.21Å; N299-E397 PolarHBondContact OD1-OE1 2.97Å
300D97.8Very high96.5Very high54 Ų5437.8 Ų37.829%0.28921%0.206SC..THydrogen-bonded Turntrans57.88.6-172.4-73.7-54.7000115.7Q270 K278 I298Q270-D300 WeakPolarHBondContact CA-OD2 3.34Å; Q270-D300 HydrophobicContact CB-CB 4.43Å; Q270-D300 VanDerWaalsContact CB-OD2 3.3Å; Q270-D300 WeakPolarHBondContact CB-OD2 3.5Å; Q270-D300 WeakPolarHBondContact CG-OD2 3.48Å; Q270-D300 WeakPolarHBondContact O-CB 3.31Å; K278-D300 PolarHBondContact NZ-O 2.8Å; K278-D300 IonicContact NZ-OD1 2.85Å; K278-D300 PolarHBondContact NZ-OD1 3.35Å; I298-D300 PolarHBondContact O-N 3.39Å
301A97.4Very high96.1Very high0 Ų039.6 Ų39.60%022%0.217CC..THydrogen-bonded Turntrans-110.7-44.8-167.800000113P272 F273 I298 N299 T382 D390 L393P272-A301 HydrophobicContact CG-CB 4.14Å; F273-A301 HydrophobicContact CD2-CB 4.45Å; F273-A301 HydrophobicContact CE2-CB 3.68Å; I298-A301 PolarHBondContact O-N 2.95Å; N299-A301 HydrophobicContact CB-CB 4.48Å; N299-A301 PolarHBondContact O-N 3.47Å; A301-T382 WeakPolarHBondContact O-CB 3.44Å; A301-T382 VanDerWaalsContact O-CG2 3.25Å; A301-T382 WeakPolarHBondContact O-CG2 3.11Å; A301-T382 PolarHBondContact O-OG1 3.44Å; A301-D390 HydrophobicContact CB-CB 4.22Å; A301-L393 HydrophobicContact CB-CB 4.28Å; A301-L393 HydrophobicContact CB-CD1 3.68Å
302V98.6Very high95.9Very high0 Ų043.2 Ų43.20%024%0.238CC..EExtended strand (participates in β ladder)trans-126.1134.9-175.3179.60000109.1I297 I298 I379 F380 D390 Y394I297-V302 CarbonylContact C-O 3.53Å; I297-V302 WeakPolarHBondContact CA-O 3.5Å; I298-V302 PolarHBondContact N-O 2.94Å; I298-V302 PolarHBondContact O-N 2.82Å; I298-V302 VanDerWaalsContact O-N 3.14Å; V302-I379 HydrophobicContact CG1-CG2 3.39Å; V302-F380 WeakPolarHBondContact CA-O 3.37Å; V302-D390 HydrophobicContact CG2-CB 3.84Å; V302-D390 WeakPolarHBondContact CG2-O 3.43Å; V302-Y394 HydrophobicContact CB-CD2 4.04Å; V302-Y394 HydrophobicContact CB-CG 4.37Å; V302-Y394 HydrophobicContact CG1-CD2 3.64Å; V302-Y394 HydrophobicContact CG1-CE2 4.34Å; V302-Y394 HydrophobicContact CG1-CG 4.05Å
303G98.7Very high96Very high0 Ų041.7 Ų41.70%022%0.222CC..EExtended strand (participates in β ladder)trans-112.7159.3172.500000111.7A296 I379 F380A296-G303 CarbonylContact O-C 3.52Å; A296-G303 WeakPolarHBondContact O-CA 3.35Å; G303-I379 CarbonylContact O-C 3.55Å; G303-I379 WeakPolarHBondContact O-CA 3.32Å; G303-F380 PolarHBondContact N-O 3.41Å; G303-F380 PolarHBondContact O-N 3.36Å
304Y98.7Very high96Very high13 Ų1341.9 Ų41.95%0.05122%0.223CC..EExtended strand (participates in β ladder)trans-136.4152.9169.263.6-105.7000112.9T295 A296 I298 Q306 R377 I378 Y394 E398T295-Y304 WeakPolarHBondContact CA-O 3.24Å; A296-Y304 HydrophobicContact CB-CD1 4.26Å; A296-Y304 HydrophobicContact CB-CE1 3.59Å; A296-Y304 HydrophobicContact CB-CE2 3.94Å; A296-Y304 WeakPolarHBondContact CB-OH 3.4Å; A296-Y304 PolarHBondContact N-O 2.99Å; A296-Y304 PolarHBondContact O-N 3.42Å; I298-Y304 HydrophobicContact CD1-CE1 4.12Å; I298-Y304 HydrophobicContact CG1-CD1 4.43Å; I298-Y304 HydrophobicContact CG1-CE1 4.23Å; Y304-Q306 HydrophobicContact CD2-CB 4.08Å; Y304-Q306 HydrophobicContact CE2-CB 4.2Å; Y304-R377 HydrophobicContact CD2-CG 4.49Å; Y304-I378 CarbonylContact C-O 3.6Å; Y304-I378 WeakPolarHBondContact CA-O 3.21Å; Y304-Y394 HydrophobicContact CD1-CE2 4.13Å; Y304-E398 HydrophobicContact CE1-CG 4.27Å; Y304-E398 WeakPolarHBondContact CE1-OE1 3.46Å; Y304-E398 PolarHBondContact OH-OE1 3.17Å
305A98.6Very high96.1Very high0 Ų038 Ų380%021%0.206CC..EExtended strand (participates in β ladder)trans-114.6117.5167.100000109A288 F293 K294 L359 R377 I378 F380A288-A305 HydrophobicContact CB-CB 3.62Å; F293-A305 HydrophobicContact CB-CB 4.03Å; F293-A305 HydrophobicContact CD2-CB 4.44Å; F293-A305 HydrophobicContact CG-CB 4.35Å; K294-A305 CarbonylContact O-C 3.59Å; K294-A305 WeakPolarHBondContact O-CA 3.33Å; A305-L359 HydrophobicContact CB-CD1 3.83Å; A305-R377 CarbonylContact O-C 3.55Å; A305-R377 WeakPolarHBondContact O-CA 3.47Å; A305-I378 HydrophobicContact CB-CB 4.5Å; A305-I378 PolarHBondContact N-O 3.32Å; A305-I378 PolarHBondContact O-N 3.06Å; A305-F380 HydrophobicContact CB-CE2 4Å
306Q97.8Very high96.1Very high6 Ų636.5 Ų36.53%0.02820%0.197CC..EExtended strand (participates in β ladder)trans-110.8137.4-174.2-178.2173.8-53.100112.1K294 Y304 G308 T375 I376 R377K294-Q306 HydrophobicContact CB-CB 4.24Å; K294-Q306 PolarHBondContact N-O 3.47Å; K294-Q306 PolarHBondContact O-N 3.02Å; Y304-Q306 HydrophobicContact CD2-CB 4.08Å; Y304-Q306 HydrophobicContact CE2-CB 4.2Å; Q306-G308 PolarHBondContact NE2-O 2.76Å; Q306-T375 VanDerWaalsContact CD-CG2 3.49Å; Q306-T375 HydrophobicContact CG-CG2 3.47Å; Q306-T375 VanDerWaalsContact CG-CG2 3.47Å; Q306-I376 WeakPolarHBondContact CA-O 3.49Å; Q306-R377 HydrophobicContact CB-CG 4.04Å; Q306-R377 HydrophobicContact CG-CG 4.06Å
307W95.1Very high96.1Very high40 Ų4035.1 Ų35.115%0.15219%0.186CC..EExtended strand (participates in β ladder)trans-122.2121.9165.1-172.323.2000109.5F293 L362 L365 K366 V372 T375 I376 I666F293-W307 HydrophobicContact CD1-CB 3.93Å; F293-W307 HydrophobicContact CE1-CB 3.85Å; F293-W307 HydrophobicContact CE1-CG 4.2Å; W307-L362 HydrophobicContact CB-CD2 4.47Å; W307-L362 HydrophobicContact CE3-CD1 3.69Å; W307-L362 HydrophobicContact CE3-CG 4.32Å; W307-L362 HydrophobicContact CZ3-CD1 4.19Å; W307-L365 HydrophobicContact CH2-CB 4.46Å; W307-L365 HydrophobicContact CZ3-CB 4.03Å; W307-K366 HydrophobicContact CD2-CB 4.13Å; W307-K366 HydrophobicContact CD2-CD 4.44Å; W307-K366 HydrophobicContact CD2-CG 4.29Å; W307-K366 HydrophobicContact CE3-CB 4.3Å; W307-K366 HydrophobicContact CG-CD 4.37Å; W307-K366 VanDerWaalsContact CH2-CA 3.48Å; W307-K366 HydrophobicContact CH2-CB 4.03Å; W307-K366 HydrophobicContact CZ2-CB 3.85Å; W307-K366 HydrophobicContact CZ2-CG 3.95Å; W307-K366 HydrophobicContact CZ3-CB 4.25Å; W307-V372 HydrophobicContact CD2-CG2 3.94Å; W307-V372 HydrophobicContact CE3-CG2 3.91Å; W307-V372 HydrophobicContact CH2-CG2 3.2Å; W307-V372 HydrophobicContact CZ2-CG2 3.2Å; W307-V372 HydrophobicContact CZ3-CG2 3.57Å; W307-T375 WeakPolarHBondContact O-CA 3.33Å; W307-I376 HydrophobicContact CB-CG2 3.99Å; W307-I376 HydrophobicContact CE3-CG2 4.26Å; W307-I376 PolarHBondContact N-O 2.89Å; W307-I376 PolarHBondContact O-N 3.34Å; W307-I666 HydrophobicContact CE3-CD1 4.37Å; W307-I666 HydrophobicContact CZ3-CD1 4.01Å
308G91.2Very high96.1Very high20 Ų2032.4 Ų32.421%0.20617%0.172CC..SBendtrans108.3166.9-168.300000112.2Q306Q306-G308 PolarHBondContact NE2-O 2.76Å
309E87Confident96.1Very high139 Ų13932 Ų3265%0.6517%0.17SC*.SBendtrans-123.8-10.8-171-60.8-63.4154.600113.9T375E309-T375 PolarHBondContact N-OG1 3.18Å
310A88.7Confident96.1Very high57 Ų5729.1 Ų29.147%0.47115%0.154SC..  trans-69.4153.1176.400000111.6T375A310-T375 WeakPolarHBondContact CA-OG1 2.99Å; A310-T375 WeakPolarHBondContact CB-OG1 3.03Å; A310-T375 PolarHBondContact N-OG1 2.99Å; A310-T375 PolarHBondContact O-OG1 2.99Å; A310-T375 VanDerWaalsContact O-OG1 3.12Å
311E88.8Confident96.2Very high177 Ų17726.6 Ų26.683%0.82714%0.14SC*.SBendtrans-69.4-40.8175.7-68.9-172.7170.100111.8Y313E311-Y313 WeakPolarHBondContact O-CD1 3.44Å
312D94.1Very high96.2Very high100 Ų10026.6 Ų26.654%0.53514%0.14SC..SBendtrans-69.5138.7171.4-76.5-41.2000111.2T375 Q402D312-T375 WeakPolarHBondContact O-CB 3.47Å; D312-Q402 HydrophobicContact CB-CG 4.09Å; D312-Q402 PolarHBondContact OD1-NE2 2.93Å; D312-Q402 PolarHBondContact OD2-NE2 2.82Å
313Y97.4Very high96.1Very high2 Ų228 Ų281%0.00815%0.149CC..EExtended strand (participates in β ladder)trans-151154.7-175.867.9-82.1000114.3E311 T375 R377 I379 Y394 Q399 P401 Q402E311-Y313 WeakPolarHBondContact O-CD1 3.44Å; Y313-T375 CarbonylContact C-O 3.5Å; Y313-T375 WeakPolarHBondContact CA-O 3.41Å; Y313-T375 WeakPolarHBondContact CB-O 3.31Å; Y313-R377 HydrophobicContact CD2-CB 3.74Å; Y313-R377 HydrophobicContact CD2-CG 3.67Å; Y313-R377 HydrophobicContact CE2-CB 4.04Å; Y313-R377 HydrophobicContact CE2-CG 4.15Å; Y313-R377 HydrophobicContact CG-CG 3.98Å; Y313-I379 HydrophobicContact CE2-CD1 3.91Å; Y313-Y394 PolarHBondContact OH-OH 3.23Å; Y313-Q399 WeakPolarHBondContact CE1-O 3.25Å; Y313-Q399 PolarHBondContact OH-O 3.24Å; Y313-P401 HydrophobicContact CD2-CB 4.06Å; Y313-P401 HydrophobicContact CE2-CB 3.61Å; Y313-P401 HydrophobicContact CE2-CG 4.41Å; Y313-P401 WeakPolarHBondContact O-CA 3.21Å; Y313-Q402 PolarHBondContact O-N 2.76Å
314I98Very high96Very high4 Ų432.3 Ų32.32%0.02118%0.177CC..EExtended strand (participates in β ladder)trans-82.3131.5162.1-59.8-58.9000109.1K374 T375 I376 R377 F403 L665 I666I314-K374 HydrophobicContact CD1-CD 4.33Å; I314-K374 HydrophobicContact CG1-CB 4.39Å; I314-K374 HydrophobicContact CG1-CD 4.31Å; I314-T375 PolarHBondContact N-O 3.31Å; I314-I376 HydrophobicContact CB-CB 4.46Å; I314-I376 HydrophobicContact CB-CG1 4.38Å; I314-I376 HydrophobicContact CG2-CD1 4.42Å; I314-I376 HydrophobicContact CG2-CG1 4.48Å; I314-I376 CarbonylContact O-C 3.55Å; I314-I376 VanDerWaalsContact O-CA 3.29Å; I314-I376 WeakPolarHBondContact O-CA 3.24Å; I314-I376 WeakPolarHBondContact O-CG1 3.43Å; I314-R377 PolarHBondContact O-N 3.33Å; I314-F403 CarbonylContact C-O 3.54Å; I314-F403 VanDerWaalsContact CA-O 3.31Å; I314-F403 WeakPolarHBondContact CA-O 3.28Å; I314-F403 HydrophobicContact CD1-CB 4.25Å; I314-L665 HydrophobicContact CD1-CB 4.38Å; I314-L665 HydrophobicContact CG1-CB 4.2Å; I314-L665 HydrophobicContact CG2-CB 3.91Å; I314-L665 HydrophobicContact CG2-CD1 3.9Å; I314-I666 HydrophobicContact CB-CG2 4.28Å; I314-I666 HydrophobicContact CG1-CG2 4.15Å
315G98.1Very high95.7Very high0 Ų032.3 Ų32.30%018%0.18CC..EExtended strand (participates in β ladder)trans-104.6135.5-178.800000113.2F403 G404 F405G315-F403 PolarHBondContact N-O 3.46Å; G315-G404 CarbonylContact O-C 3.52Å; G315-G404 WeakPolarHBondContact O-CA 3.33Å; G315-F405 PolarHBondContact O-N 3.1Å
316V98.7Very high95.4Very high0 Ų035 Ų350%021%0.207CC..EExtended strand (participates in β ladder)trans-119.4114.8161.2-1760000107.5I355 C358 I376 R377 I378 I379 F405 P407 M662V316-I355 HydrophobicContact CG1-CD1 4.28Å; V316-C358 HydrophobicContact CG1-CB 3.91Å; V316-I376 HydrophobicContact CG2-CD1 4.33Å; V316-R377 PolarHBondContact N-O 2.95Å; V316-I378 HydrophobicContact CB-CD1 3.69Å; V316-I378 HydrophobicContact CG1-CD1 4.34Å; V316-I378 HydrophobicContact CG2-CD1 3.94Å; V316-I378 CarbonylContact O-C 3.59Å; V316-I378 VanDerWaalsContact O-CA 3.31Å; V316-I378 WeakPolarHBondContact O-CA 3.15Å; V316-I379 PolarHBondContact O-N 2.92Å; V316-F405 CarbonylContact C-O 3.49Å; V316-F405 VanDerWaalsContact CA-O 3.3Å; V316-F405 WeakPolarHBondContact CA-O 3.23Å; V316-F405 HydrophobicContact CB-CZ 4.38Å; V316-F405 HydrophobicContact CG1-CD2 4.18Å; V316-F405 HydrophobicContact CG1-CE2 3.64Å; V316-F405 HydrophobicContact CG1-CZ 3.86Å; V316-F405 HydrophobicContact CG2-CD1 4.27Å; V316-F405 HydrophobicContact CG2-CE1 3.64Å; V316-F405 HydrophobicContact CG2-CE2 4.23Å; V316-F405 HydrophobicContact CG2-CZ 3.61Å; V316-P407 HydrophobicContact CG1-CG 4.41Å; V316-M662 HydrophobicContact CG2-CG 3.87Å; V316-M662 HydrophobicContact CG2-SD 3.99Å
317V98.4Very high95.1Very high0 Ų042.1 Ų42.10%025%0.246CC..EExtended strand (participates in β ladder)trans-118.5123.3-167.4-166.60000109.5I379 F405 T406 P407 Y618 I622 I625V317-I379 WeakPolarHBondContact CA-O 3.16Å; V317-I379 HydrophobicContact CB-CB 4.36Å; V317-I379 HydrophobicContact CG1-CB 4.02Å; V317-I379 HydrophobicContact CG1-CG2 4.01Å; V317-I379 HydrophobicContact CG2-CB 4.18Å; V317-I379 HydrophobicContact CG2-CD1 4.08Å; V317-F405 PolarHBondContact N-O 2.95Å; V317-T406 WeakPolarHBondContact O-CA 3.4Å; V317-T406 WeakPolarHBondContact O-CB 3.35Å; V317-T406 PolarHBondContact O-OG1 3Å; V317-P407 WeakPolarHBondContact O-CD 3.28Å; V317-Y618 HydrophobicContact CB-CD2 4.5Å; V317-Y618 HydrophobicContact CG1-CD2 3.59Å; V317-Y618 HydrophobicContact CG1-CE2 4.19Å; V317-Y618 HydrophobicContact CG1-CG 4.19Å; V317-I622 HydrophobicContact CB-CD1 3.98Å; V317-I622 HydrophobicContact CG1-CD1 3.36Å; V317-I622 HydrophobicContact CG2-CD1 3.72Å; V317-I625 HydrophobicContact CB-CD1 4.5Å; V317-I625 HydrophobicContact CG2-CD1 4.31Å
318G98.3Very high95Very high0 Ų042.8 Ų42.80%027%0.265CS..EExtended strand (participates in β ladder)trans-141.9-178.7171.500000110.4N351 I355 I379 F380 G381G318-N351 WeakPolarHBondContact CA-OD1 3.26Å; G318-I355 VanDerWaalsContact N-CD1 3.32Å; G318-I379 PolarHBondContact N-O 3.49Å; G318-F380 WeakPolarHBondContact O-CA 3.3Å; G318-G381 PolarHBondContact O-N 3.02Å
319H98.6Very high95.3Very high0 Ų043.7 Ų43.70%026%0.262CS..EExtended strand (participates in β ladder)trans-122.6158.5-175.763.798.8000113.4D321 D350 N351 G381 E384 E385 D408 Y618H319-D321 WeakPolarHBondContact CB-OD1 3.49Å; H319-D321 IonicContact CG-OD1 3.09Å; H319-D321 PolarHBondContact ND1-O 3.39Å; H319-D321 IonicContact ND1-OD1 2.85Å; H319-D350 IonicContact CE1-OD1 2.66Å; H319-D350 PolarHBondContact CE1-OD1 3.46Å; H319-D350 VanDerWaalsContact CE1-OD1 3.23Å; H319-D350 IonicContact NE2-OD1 2.75Å; H319-D350 PolarHBondContact NE2-OD1 3.16Å; H319-N351 VanDerWaalsContact CD2-CB 3.43Å; H319-N351 WeakPolarHBondContact CD2-CB 3.37Å; H319-N351 PolarHBondContact N-OD1 3.35Å; H319-N351 WeakPolarHBondContact NE2-CB 3.23Å; H319-G381 WeakPolarHBondContact CA-O 3.48Å; H319-E384 HydrophobicContact CB-CB 3.56Å; H319-E384 HydrophobicContact CB-CG 4.33Å; H319-E384 VanDerWaalsContact CG-CB 3.42Å; H319-E385 IonicContact CE1-OE1 3.13Å; H319-D408 IonicContact CD2-OD2 3.92Å; H319-D408 IonicContact NE2-OD2 3.8Å; H319-D408 PolarHBondContact NE2-OD2 3.34Å; H319-Y618 HydrophobicContact CB-CE2 3.71Å
320L98.8Very high95.8Very high0 Ų041.3 Ų41.30%026%0.261CS..  trans-113.2-18.6-179.5-61.3177.8000112.5V257 S262 A280 L281 V284 K352 I355 L356 F380 G381V257-L320 HydrophobicContact CG1-CD2 4.41Å; S262-L320 VanDerWaalsContact CB-O 3.24Å; S262-L320 WeakPolarHBondContact CB-O 3.41Å; S262-L320 PolarHBondContact OG-O 3.31Å; A280-L320 HydrophobicContact CB-CB 4.09Å; A280-L320 HydrophobicContact CB-CD1 4.41Å; L281-L320 HydrophobicContact CB-CD1 4.27Å; L281-L320 HydrophobicContact CD1-CD1 4.23Å; V284-L320 HydrophobicContact CB-CD1 4.15Å; V284-L320 HydrophobicContact CG2-CD1 3.89Å; V284-L320 HydrophobicContact CG2-CD2 3.85Å; L320-K352 HydrophobicContact CD2-CG 4.41Å; L320-K352 WeakPolarHBondContact O-CE 3.46Å; L320-I355 HydrophobicContact CD2-CG2 4.12Å; L320-L356 HydrophobicContact CD2-CD2 4.14Å; L320-F380 HydrophobicContact CD1-CB 3.82Å; L320-F380 HydrophobicContact CD1-CG 4.46Å; L320-F380 HydrophobicContact CD2-CD1 4.23Å; L320-F380 HydrophobicContact CG-CB 4.09Å; L320-F380 HydrophobicContact CG-CD1 4.48Å; L320-G381 PolarHBondContact N-O 2.93Å
321D98.5Very high96.1Very high0 Ų040.7 Ų40.70%025%0.248CC..  trans-71.3153.6171.365.1-55.7000111S262 P277 H319 T382 D383 E384 E385S262-D321 VanDerWaalsContact O-CA 3.22Å; S262-D321 WeakPolarHBondContact O-CA 3.47Å; S262-D321 WeakPolarHBondContact O-CB 3.35Å; P277-D321 HydrophobicContact CB-CB 4.47Å; P277-D321 HydrophobicContact CG-CB 4.35Å; H319-D321 WeakPolarHBondContact CB-OD1 3.49Å; H319-D321 IonicContact CG-OD1 3.09Å; H319-D321 PolarHBondContact ND1-O 3.39Å; H319-D321 IonicContact ND1-OD1 2.85Å; D321-T382 WeakPolarHBondContact CB-O 3.28Å; D321-D383 PolarHBondContact OD1-N 3.26Å; D321-D383 VanDerWaalsContact OD2-C 3.25Å; D321-D383 VanDerWaalsContact OD2-CA 3.28Å; D321-D383 WeakPolarHBondContact OD2-CA 3.43Å; D321-E384 PolarHBondContact OD1-N 2.88Å; D321-E384 PolarHBondContact OD2-N 3.47Å; D321-E384 VanDerWaalsContact OD2-N 3.13Å; D321-E385 WeakPolarHBondContact OD2-CB 3.33Å; D321-E385 PolarHBondContact OD2-N 2.99Å; D321-E385 VanDerWaalsContact OD2-N 3.11Å
322V98.1Very high96.5Very high0 Ų035.8 Ų35.80%023%0.231CC..  trans-136.2151.7-179.2-63.80000109.6S262 V263 F334 R346 K352S262-V322 PolarHBondContact O-N 3.19Å; S262-V322 VanDerWaalsContact O-N 3.1Å; V263-V322 WeakPolarHBondContact CA-O 3.31Å; V263-V322 HydrophobicContact CG2-CG2 4.03Å; V322-F334 HydrophobicContact CG2-CE1 4.12Å; V322-R346 HydrophobicContact CB-CG 3.79Å; V322-R346 HydrophobicContact CG1-CG 4.17Å; V322-R346 HydrophobicContact CG2-CG 3.8Å; V322-K352 HydrophobicContact CG1-CD 4.4Å
323V96.1Very high96.7Very high31 Ų3132.6 Ų32.619%0.18822%0.216CC..  trans-62.4154166.1-61.90000111.5A325 R346 E385 H640V323-A325 PolarHBondContact O-N 3.33Å; V323-R346 PolarHBondContact O-NE 3.29Å; V323-E385 HydrophobicContact CG1-CB 4.15Å; V323-E385 HydrophobicContact CG1-CG 4.26Å; V323-E385 WeakPolarHBondContact CG1-OE2 3.49Å; V323-H640 HydrophobicContact CG2-CB 4.09Å
324P96.4Very high96.8Very high89 Ų8934.3 Ų34.358%0.57822%0.223SC*.  trans-48.5141.1172.4-25.932.7000112.5V263 G326 R346V263-P324 HydrophobicContact CG1-CB 4.46Å; V263-P324 HydrophobicContact CG1-CG 3.8Å; P324-G326 VanDerWaalsContact C-N 3.3Å; P324-G326 PolarHBondContact O-N 2.87Å; P324-R346 PolarHBondContact O-NH2 2.96Å
325A94Very high96.7Very high14 Ų1439.1 Ų39.112%0.11624%0.244CC..  trans-64.5-36.5179.500000112.1V323 W329 P333 F334 R346V323-A325 PolarHBondContact O-N 3.33Å; A325-W329 HydrophobicContact CB-CZ2 4.45Å; A325-W329 PolarHBondContact O-NE1 3.34Å; A325-P333 HydrophobicContact CB-CB 3.62Å; A325-P333 HydrophobicContact CB-CG 3.9Å; A325-F334 HydrophobicContact CB-CE2 4.05Å; A325-F334 HydrophobicContact CB-CZ 4Å; A325-R346 PolarHBondContact O-NH2 2.87Å
326G91.7Very high96.8Very high55 Ų5540.1 Ų40.157%0.56725%0.249SC*.  trans70.3-171.1-16900000112.3P324P324-G326 VanDerWaalsContact C-N 3.3Å; P324-G326 PolarHBondContact O-N 2.87Å
327D91.4Very high96.7Very high157 Ų15740.8 Ų40.884%0.8425%0.254SS*.SBendtrans-95.5172.9178.1-63.2-48.6000111.6
328G92.7Very high96.7Very high54 Ų5445 Ų4556%0.55727%0.272SS*.  trans88.211.3167.600000116.7
329W96.8Very high96.7Very high38 Ų3850.2 Ų50.214%0.14430%0.295CS..  trans-70.8138.8177.9-73.168.4000113.3A325 F331 P333 R346 E644A325-W329 HydrophobicContact CB-CZ2 4.45Å; A325-W329 PolarHBondContact O-NE1 3.34Å; W329-F331 VanDerWaalsContact CB-O 3.23Å; W329-F331 WeakPolarHBondContact CB-O 3.39Å; W329-P333 HydrophobicContact CD2-CB 3.76Å; W329-P333 HydrophobicContact CE3-CB 4Å; W329-P333 HydrophobicContact CG-CB 4.24Å; W329-P333 HydrophobicContact CH2-CB 4.3Å; W329-P333 HydrophobicContact CZ2-CB 4.07Å; W329-P333 HydrophobicContact CZ3-CB 4.26Å; W329-R346 HydrophobicContact CH2-CB 3.92Å; W329-R346 HydrophobicContact CZ2-CB 4.14Å; W329-E644 HydrophobicContact CH2-CB 3.93Å
330S97.3Very high96.5Very high90 Ų9057.1 Ų57.163%0.62933%0.332SS*.SBendtrans-79.8-23.2171.6-54.90000112.5D643S330-D643 WeakPolarHBondContact CB-OD1 3.15Å; S330-D643 VanDerWaalsContact CB-OD2 3.23Å; S330-D643 WeakPolarHBondContact CB-OD2 3.45Å; S330-D643 PolarHBondContact N-OD1 2.99Å; S330-D643 PolarHBondContact N-OD2 3.45Å; S330-D643 PolarHBondContact OG-OD2 2.77Å
331F96.2Very high96.4Very high44 Ų4462.6 Ų62.619%0.19336%0.357CS..SBendtrans-124.8153.9177.7-59.6-88.5000110.7W329 K339 Y344W329-F331 VanDerWaalsContact CB-O 3.23Å; W329-F331 WeakPolarHBondContact CB-O 3.39Å; F331-K339 HydrophobicContact CE1-CB 4.15Å; F331-K339 HydrophobicContact CE1-CD 4.38Å; F331-K339 HydrophobicContact CZ-CB 3.91Å; F331-K339 HydrophobicContact CZ-CD 3.78Å; F331-K339 HydrophobicContact CZ-CG 4.49Å; F331-Y344 AromaticContact CD2-CD1 3.78Å; F331-Y344 HydrophobicContact CD2-CD1 3.78Å; F331-Y344 AromaticContact CD2-CD2 3.95Å; F331-Y344 HydrophobicContact CD2-CD2 3.95Å; F331-Y344 HydrophobicContact CD2-CE1 4.26Å; F331-Y344 HydrophobicContact CD2-CE2 4.43Å; F331-Y344 AromaticContact CD2-CG 3.58Å; F331-Y344 HydrophobicContact CD2-CG 3.58Å; F331-Y344 HydrophobicContact CE1-CD2 4.42Å; F331-Y344 AromaticContact CE2-CD1 3.82Å; F331-Y344 HydrophobicContact CE2-CD1 3.82Å; F331-Y344 AromaticContact CE2-CD2 3.63Å; F331-Y344 HydrophobicContact CE2-CD2 3.63Å; F331-Y344 AromaticContact CE2-CE1 3.85Å; F331-Y344 HydrophobicContact CE2-CE1 3.85Å; F331-Y344 AromaticContact CE2-CE2 3.69Å; F331-Y344 HydrophobicContact CE2-CE2 3.69Å; F331-Y344 AromaticContact CE2-CG 3.69Å; F331-Y344 HydrophobicContact CE2-CG 3.69Å; F331-Y344 AromaticContact CE2-CZ 3.77Å; F331-Y344 HydrophobicContact CG-CD2 4.46Å; F331-Y344 HydrophobicContact CG-CG 4.2Å; F331-Y344 AromaticContact CZ-CD2 3.89Å; F331-Y344 HydrophobicContact CZ-CD2 3.89Å; F331-Y344 AromaticContact CZ-CE2 3.86Å; F331-Y344 HydrophobicContact CZ-CE2 3.86Å; F331-Y344 HydrophobicContact CZ-CG 4.37Å
332P97.8Very high96.4Very high73 Ų7366.1 Ų66.147%0.47437%0.371SS..  trans-57.3124.3174.7-21.932.7000110.7F334 K335P332-F334 VanDerWaalsContact C-N 3.35Å; P332-F334 PolarHBondContact O-N 3.09Å; P332-K335 HydrophobicContact CB-CB 4.1Å; P332-K335 PolarHBondContact O-N 3.38Å
333P97.8Very high96.4Very high33 Ų3366.5 Ų66.521%0.21437%0.372CS..THydrogen-bonded Turntrans-64.9-36.3-170.421.3-32.6000113.1A325 W329 K335 G345 R346A325-P333 HydrophobicContact CB-CB 3.62Å; A325-P333 HydrophobicContact CB-CG 3.9Å; W329-P333 HydrophobicContact CD2-CB 3.76Å; W329-P333 HydrophobicContact CE3-CB 4Å; W329-P333 HydrophobicContact CG-CB 4.24Å; W329-P333 HydrophobicContact CH2-CB 4.3Å; W329-P333 HydrophobicContact CZ2-CB 4.07Å; W329-P333 HydrophobicContact CZ3-CB 4.26Å; P333-K335 PolarHBondContact O-N 3.28Å; P333-G345 CarbonylContact O-C 3.42Å; P333-G345 WeakPolarHBondContact O-CA 3.31Å; P333-R346 HydrophobicContact CB-CB 4.44Å; P333-R346 PolarHBondContact O-N 3.21Å
334F98.4Very high96.6Very high38 Ų3866.7 Ų66.717%0.16737%0.37CS..THydrogen-bonded Turntrans-102.657.4179.7-56.1-68.2000110.7L258 Q259 E261 V263 V322 A325 P332 R346L258-F334 CarbonylContact O-C 3.5Å; L258-F334 WeakPolarHBondContact O-CA 3.44Å; Q259-F334 WeakPolarHBondContact CA-O 3.18Å; E261-F334 HydrophobicContact CB-CD1 4.14Å; E261-F334 HydrophobicContact CB-CD2 3.96Å; E261-F334 HydrophobicContact CB-CE1 4.03Å; E261-F334 HydrophobicContact CB-CE2 3.84Å; E261-F334 HydrophobicContact CB-CG 4.11Å; E261-F334 HydrophobicContact CB-CZ 3.88Å; E261-F334 VanDerWaalsContact CD-CE2 3.49Å; E261-F334 HydrophobicContact CG-CD2 4.2Å; E261-F334 HydrophobicContact CG-CE1 4.02Å; E261-F334 HydrophobicContact CG-CE2 3.56Å; E261-F334 HydrophobicContact CG-CZ 3.46Å; E261-F334 VanDerWaalsContact CG-CZ 3.46Å; V263-F334 HydrophobicContact CG2-CZ 4.4Å; V322-F334 HydrophobicContact CG2-CE1 4.12Å; A325-F334 HydrophobicContact CB-CE2 4.05Å; A325-F334 HydrophobicContact CB-CZ 4Å; P332-F334 VanDerWaalsContact C-N 3.35Å; P332-F334 PolarHBondContact O-N 3.09Å; F334-R346 HydrophobicContact CD1-CB 4.4Å; F334-R346 HydrophobicContact CE1-CB 4.02Å; F334-R346 HydrophobicContact CE1-CG 3.97Å
335K97.8Very high96.6Very high106 Ų10662.4 Ų62.446%0.46134%0.342SS..SBendtrans-159.9133.6173.1-177.3-179.4178.5-179.60108.8P332 P333 S337 Y344P332-K335 HydrophobicContact CB-CB 4.1Å; P332-K335 PolarHBondContact O-N 3.38Å; P333-K335 PolarHBondContact O-N 3.28Å; K335-S337 PolarHBondContact O-N 3.4Å; K335-S337 PolarHBondContact O-OG 2.78Å; K335-Y344 VanDerWaalsContact O-O 3.13Å
336L98.2Very high96.8Very high20 Ų2061.9 Ų61.911%0.10534%0.337CS..  trans-68.997172.4-17365.7000109.6L254 D255 L258 F343 I348L254-L336 HydrophobicContact CD2-CD1 4.28Å; L254-L336 HydrophobicContact CD2-CD2 4.17Å; L254-L336 HydrophobicContact CG-CD2 4.3Å; D255-L336 HydrophobicContact CB-CB 3.75Å; D255-L336 HydrophobicContact CB-CD2 4.2Å; D255-L336 VanDerWaalsContact OD1-CB 3.27Å; D255-L336 WeakPolarHBondContact OD1-CB 3.5Å; D255-L336 PolarHBondContact OD1-N 3.01Å; L258-L336 HydrophobicContact CD1-CB 3.97Å; L258-L336 HydrophobicContact CD1-CD1 3.58Å; L258-L336 HydrophobicContact CD1-CG 4.29Å; L336-F343 HydrophobicContact CD1-CB 3.81Å; L336-F343 HydrophobicContact CD1-CD1 3.5Å; L336-F343 VanDerWaalsContact CD1-CD1 3.5Å; L336-F343 HydrophobicContact CD1-CE1 4.23Å; L336-F343 HydrophobicContact CD1-CG 3.83Å; L336-F343 HydrophobicContact CD2-CD1 4.1Å; L336-F343 HydrophobicContact CD2-CE1 3.98Å; L336-F343 HydrophobicContact CG-CD1 3.64Å; L336-F343 HydrophobicContact CG-CE1 3.97Å; L336-F343 HydrophobicContact CG-CG 4.45Å; L336-I348 HydrophobicContact CD1-CD1 3.69Å; L336-I348 HydrophobicContact CD1-CG1 4.48Å
337S98.2Very high97.1Very high14 Ų1459.3 Ų59.310%0.09831%0.31CS..EExtended strand (participates in β ladder)trans-98.6135.2179.6-60.90000109.6K335 F343 Y344K335-S337 PolarHBondContact O-N 3.4Å; K335-S337 PolarHBondContact O-OG 2.78Å; S337-F343 CarbonylContact O-C 3.54Å; S337-F343 VanDerWaalsContact O-CA 3.3Å; S337-F343 WeakPolarHBondContact O-CA 3.41Å; S337-Y344 PolarHBondContact N-O 2.98Å; S337-Y344 PolarHBondContact O-N 2.99Å
338K97.9Very high97.5Very high90 Ų9051.8 Ų51.839%0.39127%0.27SS..EExtended strand (participates in β ladder)trans-117.7130.8-179.9-167.2-179.2-176.6177.50110.9R342 F343 E648K338-R342 WeakPolarHBondContact CA-O 3.49Å; K338-F343 HydrophobicContact CB-CD1 3.82Å; K338-F343 HydrophobicContact CB-CE1 3.73Å; K338-F343 HydrophobicContact CD-CD1 4.38Å; K338-F343 HydrophobicContact CD-CE1 3.66Å; K338-F343 HydrophobicContact CD-CZ 3.77Å; K338-F343 HydrophobicContact CG-CD1 3.97Å; K338-F343 HydrophobicContact CG-CE1 3.75Å; K338-F343 HydrophobicContact CG-CZ 4.23Å; K338-E648 VanDerWaalsContact CE-OE2 3.23Å; K338-E648 WeakPolarHBondContact CE-OE2 3.39Å; K338-E648 IonicContact NZ-OE1 2.91Å; K338-E648 PolarHBondContact NZ-OE1 2.76Å; K338-E648 IonicContact NZ-OE2 3.02Å; K338-E648 PolarHBondContact NZ-OE2 2.84Å
339K97.8Very high97.7Very high109 Ų10949.6 Ų49.647%0.47425%0.246SC..EExtended strand (participates in β ladder)trans-145.7132.8171-176.4-176.9176.3-175.20109.5F331 Q341 R342 Y344F331-K339 HydrophobicContact CE1-CB 4.15Å; F331-K339 HydrophobicContact CE1-CD 4.38Å; F331-K339 HydrophobicContact CZ-CB 3.91Å; F331-K339 HydrophobicContact CZ-CD 3.78Å; F331-K339 HydrophobicContact CZ-CG 4.49Å; K339-Q341 VanDerWaalsContact C-N 3.3Å; K339-Q341 PolarHBondContact O-N 2.94Å; K339-R342 PolarHBondContact N-O 2.89Å; K339-R342 WeakPolarHBondContact O-CB 3.42Å; K339-R342 PolarHBondContact O-N 3.21Å; K339-Y344 HydrophobicContact CB-CE2 4.14Å
340D95.7Very high97.8Very high144 Ų14448.5 Ų48.577%0.7724%0.243SC*.THydrogen-bonded Turntrans49.845175.4-54.9-38.6000114.1R342D340-R342 PolarHBondContact O-N 2.99Å
341Q96.7Very high97.8Very high116 Ų11644.2 Ų44.254%0.54221%0.213SC..THydrogen-bonded Turntrans6223.3-177.8-53.3-63.374.200115K339 E648K339-Q341 VanDerWaalsContact C-N 3.3Å; K339-Q341 PolarHBondContact O-N 2.94Å; Q341-E648 PolarHBondContact NE2-OE2 2.76Å; Q341-E648 VanDerWaalsContact O-CB 3.27Å; Q341-E648 WeakPolarHBondContact O-CB 3.42Å; Q341-E648 PolarHBondContact O-N 2.83Å; Q341-E648 PolarHBondContact OE1-OE2 3.14Å; Q341-E648 VanDerWaalsContact OE1-OE2 3.1Å
342R98.2Very high97.9Very high74 Ų7442.1 Ų42.128%0.27920%0.203SC..EExtended strand (participates in β ladder)trans-121135.8171.9178.5172.9-71.7158.35.7110.2K338 K339 D340 Y344 Y645 D647K338-R342 WeakPolarHBondContact CA-O 3.49Å; K339-R342 PolarHBondContact N-O 2.89Å; K339-R342 WeakPolarHBondContact O-CB 3.42Å; K339-R342 PolarHBondContact O-N 3.21Å; D340-R342 PolarHBondContact O-N 2.99Å; R342-Y344 HydrophobicContact CB-CE2 4.03Å; R342-Y344 VanDerWaalsContact CD-CZ 3.48Å; R342-Y344 VanDerWaalsContact CD-OH 3.31Å; R342-Y344 WeakPolarHBondContact CD-OH 3.35Å; R342-Y344 HydrophobicContact CG-CD2 4.29Å; R342-Y344 HydrophobicContact CG-CE1 4.41Å; R342-Y344 HydrophobicContact CG-CE2 3.71Å; R342-Y645 HydrophobicContact CG-CD2 3.8Å; R342-Y645 HydrophobicContact CG-CG 4.1Å; R342-Y645 VanDerWaalsContact NE-CD2 3.29Å; R342-D647 IonicContact CZ-OD1 2.73Å; R342-D647 IonicContact NE-OD1 2.8Å; R342-D647 PolarHBondContact NE-OD1 2.77Å; R342-D647 IonicContact NH2-OD1 3.47Å; R342-D647 PolarHBondContact NH2-OD1 3.37Å; R342-D647 IonicContact NH2-OD2 3.42Å
343F98.4Very high98Very high7 Ų738.6 Ų38.63%0.03118%0.181CC..EExtended strand (participates in β ladder)trans-94.7142.5172.4-72.1-70.8000110.5Y251 L336 S337 K338 I348 Y645 M646 E648 L651Y251-F343 HydrophobicContact CD1-CE2 4.16Å; Y251-F343 AromaticContact CD1-CZ 3.84Å; Y251-F343 HydrophobicContact CD1-CZ 3.84Å; Y251-F343 AromaticContact CD2-CZ 3.99Å; Y251-F343 HydrophobicContact CD2-CZ 3.99Å; Y251-F343 AromaticContact CE1-CE2 3.72Å; Y251-F343 HydrophobicContact CE1-CE2 3.72Å; Y251-F343 AromaticContact CE1-CZ 3.77Å; Y251-F343 HydrophobicContact CE1-CZ 3.77Å; Y251-F343 HydrophobicContact CE2-CE2 4.43Å; Y251-F343 AromaticContact CE2-CZ 3.91Å; Y251-F343 HydrophobicContact CE2-CZ 3.91Å; Y251-F343 AromaticContact CG-CZ 3.97Å; Y251-F343 HydrophobicContact CG-CZ 3.97Å; Y251-F343 AromaticContact CZ-CE2 3.88Å; Y251-F343 AromaticContact CZ-CZ 3.81Å; L336-F343 HydrophobicContact CD1-CB 3.81Å; L336-F343 HydrophobicContact CD1-CD1 3.5Å; L336-F343 VanDerWaalsContact CD1-CD1 3.5Å; L336-F343 HydrophobicContact CD1-CE1 4.23Å; L336-F343 HydrophobicContact CD1-CG 3.83Å; L336-F343 HydrophobicContact CD2-CD1 4.1Å; L336-F343 HydrophobicContact CD2-CE1 3.98Å; L336-F343 HydrophobicContact CG-CD1 3.64Å; L336-F343 HydrophobicContact CG-CE1 3.97Å; L336-F343 HydrophobicContact CG-CG 4.45Å; S337-F343 CarbonylContact O-C 3.54Å; S337-F343 VanDerWaalsContact O-CA 3.3Å; S337-F343 WeakPolarHBondContact O-CA 3.41Å; K338-F343 HydrophobicContact CB-CD1 3.82Å; K338-F343 HydrophobicContact CB-CE1 3.73Å; K338-F343 HydrophobicContact CD-CD1 4.38Å; K338-F343 HydrophobicContact CD-CE1 3.66Å; K338-F343 HydrophobicContact CD-CZ 3.77Å; K338-F343 HydrophobicContact CG-CD1 3.97Å; K338-F343 HydrophobicContact CG-CE1 3.75Å; K338-F343 HydrophobicContact CG-CZ 4.23Å; F343-I348 HydrophobicContact CB-CD1 4.13Å; F343-I348 HydrophobicContact CB-CG1 3.99Å; F343-Y645 CarbonylContact O-C 3.52Å; F343-Y645 WeakPolarHBondContact O-CA 3.42Å; F343-Y645 VanDerWaalsContact O-CB 3.25Å; F343-Y645 WeakPolarHBondContact O-CB 3.45Å; F343-M646 PolarHBondContact N-O 2.71Å; F343-M646 PolarHBondContact O-N 3.01Å; F343-E648 HydrophobicContact CD2-CB 4.13Å; F343-E648 HydrophobicContact CE2-CB 3.83Å; F343-E648 HydrophobicContact CE2-CG 3.87Å; F343-L651 HydrophobicContact CD2-CD2 4.08Å; F343-L651 HydrophobicContact CE2-CD2 4.3Å
344Y98.5Very high98Very high35 Ų3537 Ų3714%0.13717%0.171CC..EExtended strand (participates in β ladder)trans-126.9142.4178.3-63-93.3000109.4F331 K335 S337 K339 R342 D643 E644F331-Y344 AromaticContact CD2-CD1 3.78Å; F331-Y344 HydrophobicContact CD2-CD1 3.78Å; F331-Y344 AromaticContact CD2-CD2 3.95Å; F331-Y344 HydrophobicContact CD2-CD2 3.95Å; F331-Y344 HydrophobicContact CD2-CE1 4.26Å; F331-Y344 HydrophobicContact CD2-CE2 4.43Å; F331-Y344 AromaticContact CD2-CG 3.58Å; F331-Y344 HydrophobicContact CD2-CG 3.58Å; F331-Y344 HydrophobicContact CE1-CD2 4.42Å; F331-Y344 AromaticContact CE2-CD1 3.82Å; F331-Y344 HydrophobicContact CE2-CD1 3.82Å; F331-Y344 AromaticContact CE2-CD2 3.63Å; F331-Y344 HydrophobicContact CE2-CD2 3.63Å; F331-Y344 AromaticContact CE2-CE1 3.85Å; F331-Y344 HydrophobicContact CE2-CE1 3.85Å; F331-Y344 AromaticContact CE2-CE2 3.69Å; F331-Y344 HydrophobicContact CE2-CE2 3.69Å; F331-Y344 AromaticContact CE2-CG 3.69Å; F331-Y344 HydrophobicContact CE2-CG 3.69Å; F331-Y344 AromaticContact CE2-CZ 3.77Å; F331-Y344 HydrophobicContact CG-CD2 4.46Å; F331-Y344 HydrophobicContact CG-CG 4.2Å; F331-Y344 AromaticContact CZ-CD2 3.89Å; F331-Y344 HydrophobicContact CZ-CD2 3.89Å; F331-Y344 AromaticContact CZ-CE2 3.86Å; F331-Y344 HydrophobicContact CZ-CE2 3.86Å; F331-Y344 HydrophobicContact CZ-CG 4.37Å; K335-Y344 VanDerWaalsContact O-O 3.13Å; S337-Y344 PolarHBondContact N-O 2.98Å; S337-Y344 PolarHBondContact O-N 2.99Å; K339-Y344 HydrophobicContact CB-CE2 4.14Å; R342-Y344 HydrophobicContact CB-CE2 4.03Å; R342-Y344 VanDerWaalsContact CD-CZ 3.48Å; R342-Y344 VanDerWaalsContact CD-OH 3.31Å; R342-Y344 WeakPolarHBondContact CD-OH 3.35Å; R342-Y344 HydrophobicContact CG-CD2 4.29Å; R342-Y344 HydrophobicContact CG-CE1 4.41Å; R342-Y344 HydrophobicContact CG-CE2 3.71Å; Y344-D643 HydrophobicContact CD1-CB 4.23Å; Y344-D643 HydrophobicContact CE1-CB 4.42Å; Y344-E644 WeakPolarHBondContact CA-O 3.22Å
345G98Very high98Very high0 Ų035.2 Ų35.20%016%0.163CC..SBendtrans155.7145.8175.900000111P333 G347 I348 E644P333-G345 CarbonylContact O-C 3.42Å; P333-G345 WeakPolarHBondContact O-CA 3.31Å; G345-G347 PolarHBondContact O-N 2.55Å; G345-I348 WeakPolarHBondContact O-CB 3.34Å; G345-I348 WeakPolarHBondContact O-CG2 3.4Å; G345-I348 PolarHBondContact O-N 2.93Å; G345-I348 VanDerWaalsContact O-N 3.1Å; G345-E644 PolarHBondContact N-O 3.09Å; G345-E644 VanDerWaalsContact N-O 3.1Å
346R98.4Very high98.1Very high3 Ų330.4 Ų30.41%0.01114%0.142CC..THydrogen-bonded Turntrans-62.8121.7176.817459.978.1-139.76109.7L258 V322 V323 P324 A325 W329 P333 F334 H640 N641 E644L258-R346 WeakPolarHBondContact CD2-O 3.32Å; V322-R346 HydrophobicContact CB-CG 3.79Å; V322-R346 HydrophobicContact CG1-CG 4.17Å; V322-R346 HydrophobicContact CG2-CG 3.8Å; V323-R346 PolarHBondContact O-NE 3.29Å; P324-R346 PolarHBondContact O-NH2 2.96Å; A325-R346 PolarHBondContact O-NH2 2.87Å; W329-R346 HydrophobicContact CH2-CB 3.92Å; W329-R346 HydrophobicContact CZ2-CB 4.14Å; P333-R346 HydrophobicContact CB-CB 4.44Å; P333-R346 PolarHBondContact O-N 3.21Å; F334-R346 HydrophobicContact CD1-CB 4.4Å; F334-R346 HydrophobicContact CE1-CB 4.02Å; F334-R346 HydrophobicContact CE1-CG 3.97Å; R346-H640 PolarHBondContact NH2-O 3.15Å; R346-N641 PolarHBondContact NH1-O 2.74Å; R346-N641 PolarHBondContact NH2-O 3.18Å; R346-E644 WeakPolarHBondContact CD-OE2 3.39Å; R346-E644 IonicContact CZ-OE2 2.67Å; R346-E644 IonicContact NH1-OE2 3.38Å; R346-E644 PolarHBondContact NH1-OE2 3.29Å
347G98.1Very high98.1Very high0 Ų029.4 Ų29.40%014%0.137CC..THydrogen-bonded Turntrans89.65.8-177.500000115.6G345 L349 D350 K352 G353 E644G345-G347 PolarHBondContact O-N 2.55Å; G347-L349 VanDerWaalsContact C-N 3.27Å; G347-L349 PolarHBondContact O-N 3.11Å; G347-D350 VanDerWaalsContact CA-O 3.24Å; G347-D350 WeakPolarHBondContact CA-O 3.32Å; G347-K352 WeakPolarHBondContact O-CA 3.3Å; G347-K352 WeakPolarHBondContact O-CB 3.27Å; G347-K352 PolarHBondContact O-N 2.84Å; G347-G353 PolarHBondContact O-N 2.81Å; G347-E644 VanDerWaalsContact CA-OE1 3.3Å; G347-E644 WeakPolarHBondContact CA-OE1 3.36Å; G347-E644 PolarHBondContact N-OE1 3.35Å; G347-E644 VanDerWaalsContact N-OE1 3.07Å; G347-E644 PolarHBondContact N-OE2 2.99Å
348I98.6Very high98.1Very high0 Ų028.8 Ų28.80%013%0.132CC..SBendtrans-64.9-33.4173.3-171.855.5000112.1L254 L258 L336 F343 G345 G353 P354 E644 M646 L651L254-I348 HydrophobicContact CD2-CD1 3.84Å; L258-I348 HydrophobicContact CD1-CD1 4.14Å; L336-I348 HydrophobicContact CD1-CD1 3.69Å; L336-I348 HydrophobicContact CD1-CG1 4.48Å; F343-I348 HydrophobicContact CB-CD1 4.13Å; F343-I348 HydrophobicContact CB-CG1 3.99Å; G345-I348 WeakPolarHBondContact O-CB 3.34Å; G345-I348 WeakPolarHBondContact O-CG2 3.4Å; G345-I348 PolarHBondContact O-N 2.93Å; G345-I348 VanDerWaalsContact O-N 3.1Å; I348-G353 WeakPolarHBondContact O-CA 3.49Å; I348-P354 WeakPolarHBondContact O-CD 3.49Å; I348-E644 HydrophobicContact CG2-CG 4.06Å; I348-E644 PolarHBondContact N-OE1 2.96Å; I348-E644 VanDerWaalsContact N-OE1 3.11Å; I348-M646 HydrophobicContact CG1-CB 3.93Å; I348-L651 HydrophobicContact CD1-CD2 4.32Å
349L98.1Very high98.2Very high8 Ų824.5 Ų24.54%0.04211%0.113CC..SBendtrans-100.3-40173.6-177.569.5000110.9G347 P354 P630 I638 A639 E644 M646G347-L349 VanDerWaalsContact C-N 3.27Å; G347-L349 PolarHBondContact O-N 3.11Å; L349-P354 WeakPolarHBondContact O-CD 3.36Å; L349-P354 VanDerWaalsContact O-CG 3.24Å; L349-P354 WeakPolarHBondContact O-CG 3.43Å; L349-P630 HydrophobicContact CD1-CB 4.47Å; L349-P630 HydrophobicContact CD1-CG 3.71Å; L349-P630 HydrophobicContact CG-CG 4.48Å; L349-I638 HydrophobicContact CD2-CB 3.53Å; L349-I638 HydrophobicContact CD2-CG2 3.62Å; L349-A639 HydrophobicContact CD2-CB 4.17Å; L349-E644 HydrophobicContact CB-CG 4.11Å; L349-E644 PolarHBondContact N-OE1 3.14Å; L349-M646 HydrophobicContact CB-CE 4.32Å; L349-M646 HydrophobicContact CD1-CE 3.34Å; L349-M646 HydrophobicContact CG-CE 4.4Å
350D97.2Very high98.2Very high14 Ų1419.4 Ų19.48%0.0759%0.091CC..SBendtrans-132.490.9-169.3-169.810.4000113.1H319 G347 A639 H640 E644H319-D350 IonicContact CE1-OD1 2.66Å; H319-D350 PolarHBondContact CE1-OD1 3.46Å; H319-D350 VanDerWaalsContact CE1-OD1 3.23Å; H319-D350 IonicContact NE2-OD1 2.75Å; H319-D350 PolarHBondContact NE2-OD1 3.16Å; G347-D350 VanDerWaalsContact CA-O 3.24Å; G347-D350 WeakPolarHBondContact CA-O 3.32Å; D350-A639 HydrophobicContact CB-CB 3.78Å; D350-H640 IonicContact OD2-CD2 2.72Å; D350-H640 PolarHBondContact OD2-CD2 3.02Å; D350-H640 IonicContact OD2-CE1 3.73Å; D350-H640 IonicContact OD2-NE2 3.42Å; D350-H640 PolarHBondContact OD2-NE2 2.83Å; D350-E644 PolarHBondContact N-OE1 2.81Å
351N98.2Very high98.3Very high0 Ų012.5 Ų12.50%06%0.055CC..SBendcis-135.510.6-0.2-169.7-108.8000113.1G318 H319 G353 P354 I355 P407 D408G318-N351 WeakPolarHBondContact CA-OD1 3.26Å; H319-N351 VanDerWaalsContact CD2-CB 3.43Å; H319-N351 WeakPolarHBondContact CD2-CB 3.37Å; H319-N351 PolarHBondContact N-OD1 3.35Å; H319-N351 WeakPolarHBondContact NE2-CB 3.23Å; N351-G353 PolarHBondContact O-N 3.08Å; N351-P354 WeakPolarHBondContact O-CD 3.27Å; N351-I355 VanDerWaalsContact O-CG2 3.25Å; N351-I355 WeakPolarHBondContact O-CG2 3.4Å; N351-I355 PolarHBondContact O-N 2.91Å; N351-I355 VanDerWaalsContact O-N 3.08Å; N351-P407 PolarHBondContact ND2-O 3.43Å; N351-D408 VanDerWaalsContact ND2-CB 3.35Å; N351-D408 WeakPolarHBondContact ND2-CB 3.49Å
352K98.7Very high98.3Very high0 Ų07 Ų70%03%0.029CC..Hα-helixtrans-59.7-42.9-178.7-67.9175171.8-175.50112.3V257 L258 I260 S262 L320 V322 G347 L356V257-K352 HydrophobicContact CG1-CD 4.12Å; V257-K352 HydrophobicContact CG1-CG 4.37Å; V257-K352 PolarHBondContact O-NZ 2.81Å; L258-K352 HydrophobicContact CD2-CB 4.01Å; L258-K352 HydrophobicContact CD2-CD 3.88Å; I260-K352 PolarHBondContact O-NZ 3.3Å; S262-K352 WeakPolarHBondContact OG-CE 3.37Å; S262-K352 PolarHBondContact OG-NZ 3.1Å; L320-K352 HydrophobicContact CD2-CG 4.41Å; L320-K352 WeakPolarHBondContact O-CE 3.46Å; V322-K352 HydrophobicContact CG1-CD 4.4Å; G347-K352 WeakPolarHBondContact O-CA 3.3Å; G347-K352 WeakPolarHBondContact O-CB 3.27Å; G347-K352 PolarHBondContact O-N 2.84Å; K352-L356 WeakPolarHBondContact O-CB 3.43Å; K352-L356 WeakPolarHBondContact O-CD2 3.35Å; K352-L356 PolarHBondContact O-N 3.38Å
353G98.6Very high98.3Very high0 Ų04.4 Ų4.40%02%0.019CC..Hα-helixtrans-57.2-60.3177.500000112.8G347 I348 N351 L356 A357G347-G353 PolarHBondContact O-N 2.81Å; I348-G353 WeakPolarHBondContact O-CA 3.49Å; N351-G353 PolarHBondContact O-N 3.08Å; G353-L356 PolarHBondContact O-N 3.44Å; G353-A357 WeakPolarHBondContact O-CB 3.37Å; G353-A357 PolarHBondContact O-N 3.4Å
354P98.7Very high98.1Very high0 Ų04.1 Ų4.10%02%0.018CC..Hα-helixtrans-57.3-48.8178.5-25.531.6000114.3I348 L349 N351 L356 A357 C358 P407 P630 M646 Y658I348-P354 WeakPolarHBondContact O-CD 3.49Å; L349-P354 WeakPolarHBondContact O-CD 3.36Å; L349-P354 VanDerWaalsContact O-CG 3.24Å; L349-P354 WeakPolarHBondContact O-CG 3.43Å; N351-P354 WeakPolarHBondContact O-CD 3.27Å; P354-L356 VanDerWaalsContact C-N 3.34Å; P354-L356 PolarHBondContact O-N 2.75Å; P354-A357 WeakPolarHBondContact O-CA 3.45Å; P354-A357 WeakPolarHBondContact O-CB 3.36Å; P354-A357 PolarHBondContact O-N 2.95Å; P354-A357 VanDerWaalsContact O-N 3.09Å; P354-C358 PolarHBondContact O-N 2.87Å; P354-C358 PolarHBondContact O-SG 3.41Å; P354-C358 VanDerWaalsContact O-SG 3.36Å; P354-P407 HydrophobicContact CB-CB 3.95Å; P354-P407 HydrophobicContact CB-CG 4.23Å; P354-P407 VanDerWaalsContact CB-O 3.24Å; P354-P407 WeakPolarHBondContact CB-O 3.45Å; P354-P630 HydrophobicContact CB-CB 4.13Å; P354-P630 HydrophobicContact CB-CG 4.34Å; P354-P630 HydrophobicContact CG-CB 3.66Å; P354-P630 HydrophobicContact CG-CG 3.56Å; P354-M646 HydrophobicContact CG-CE 4.25Å; P354-Y658 HydrophobicContact CB-CE2 4.37Å
355I98.8Very high97.8Very high0 Ų02.7 Ų2.70%01%0.013CC..Hα-helixtrans-69.3-32-176.5-162.956.9000112.5V316 G318 L320 N351 C358 L359 I378 F380 P407V316-I355 HydrophobicContact CG1-CD1 4.28Å; G318-I355 VanDerWaalsContact N-CD1 3.32Å; L320-I355 HydrophobicContact CD2-CG2 4.12Å; N351-I355 VanDerWaalsContact O-CG2 3.25Å; N351-I355 WeakPolarHBondContact O-CG2 3.4Å; N351-I355 PolarHBondContact O-N 2.91Å; N351-I355 VanDerWaalsContact O-N 3.08Å; I355-C358 HydrophobicContact CD1-CB 4.44Å; I355-C358 WeakPolarHBondContact O-CB 3.41Å; I355-C358 PolarHBondContact O-N 3.37Å; I355-L359 PolarHBondContact O-N 2.77Å; I355-I378 HydrophobicContact CD1-CG2 3.63Å; I355-I378 HydrophobicContact CG1-CG2 4.15Å; I355-F380 HydrophobicContact CG1-CD1 3.69Å; I355-F380 HydrophobicContact CG1-CE1 3.72Å; I355-F380 HydrophobicContact CG2-CD1 4.33Å; I355-F380 HydrophobicContact CG2-CE1 4.49Å; I355-P407 HydrophobicContact CD1-CG 4Å
356L98.8Very high97.4Very high4 Ų45.4 Ų5.42%0.0213%0.025CC..Hα-helixtrans-72.7-31.5171.6-85.2-71.9000111.6F250 L254 V257 V284 L287 L320 K352 G353 P354 C358 L359 F360F250-L356 HydrophobicContact CE2-CB 4.26Å; L254-L356 HydrophobicContact CD1-CB 4.08Å; L254-L356 HydrophobicContact CD1-CG 4.34Å; V257-L356 HydrophobicContact CG1-CD2 4.32Å; V257-L356 HydrophobicContact CG2-CD1 4.21Å; V257-L356 HydrophobicContact CG2-CG 4.41Å; V284-L356 HydrophobicContact CG2-CD1 4.45Å; V284-L356 HydrophobicContact CG2-CD2 4.1Å; L287-L356 HydrophobicContact CD1-CD1 4.45Å; L320-L356 HydrophobicContact CD2-CD2 4.14Å; K352-L356 WeakPolarHBondContact O-CB 3.43Å; K352-L356 WeakPolarHBondContact O-CD2 3.35Å; K352-L356 PolarHBondContact O-N 3.38Å; G353-L356 PolarHBondContact O-N 3.44Å; P354-L356 VanDerWaalsContact C-N 3.34Å; P354-L356 PolarHBondContact O-N 2.75Å; L356-C358 VanDerWaalsContact C-N 3.31Å; L356-L359 HydrophobicContact CD1-CD2 4.08Å; L356-L359 PolarHBondContact O-N 2.72Å; L356-F360 VanDerWaalsContact O-CB 3.3Å; L356-F360 WeakPolarHBondContact O-CB 3.46Å; L356-F360 PolarHBondContact O-N 3.2Å
357A98.8Very high96.9Very high0 Ų010.9 Ų10.90%05%0.05CC..Hα-helixtrans-62.8-38.9170.400000111.1F250 G353 P354 G361 M655 Y658F250-A357 HydrophobicContact CE2-CB 4.35Å; F250-A357 HydrophobicContact CZ-CB 3.91Å; G353-A357 WeakPolarHBondContact O-CB 3.37Å; G353-A357 PolarHBondContact O-N 3.4Å; P354-A357 WeakPolarHBondContact O-CA 3.45Å; P354-A357 WeakPolarHBondContact O-CB 3.36Å; P354-A357 PolarHBondContact O-N 2.95Å; P354-A357 VanDerWaalsContact O-N 3.09Å; A357-G361 WeakPolarHBondContact O-CA 3.46Å; A357-G361 PolarHBondContact O-N 3.49Å; A357-M655 HydrophobicContact CB-CB 4.16Å; A357-M655 HydrophobicContact CB-CE 4.3Å; A357-Y658 HydrophobicContact CB-CD2 4.27Å; A357-Y658 HydrophobicContact CB-CE2 4.43Å
358C98.8Very high96.2Very high0 Ų012.7 Ų12.70%06%0.06CC..Hα-helixtrans-63.3-47.2171.4-59.20000112.1V316 P354 I355 L356 F360 G361 L362 I378 Y658 M662V316-C358 HydrophobicContact CG1-CB 3.91Å; P354-C358 PolarHBondContact O-N 2.87Å; P354-C358 PolarHBondContact O-SG 3.41Å; P354-C358 VanDerWaalsContact O-SG 3.36Å; I355-C358 HydrophobicContact CD1-CB 4.44Å; I355-C358 WeakPolarHBondContact O-CB 3.41Å; I355-C358 PolarHBondContact O-N 3.37Å; L356-C358 VanDerWaalsContact C-N 3.31Å; C358-F360 PolarHBondContact O-N 3.36Å; C358-G361 PolarHBondContact O-N 3.35Å; C358-L362 WeakPolarHBondContact O-CB 3.42Å; C358-L362 PolarHBondContact O-N 2.7Å; C358-I378 HydrophobicContact CB-CD1 4.25Å; C358-I378 HydrophobicContact CB-CG2 4.49Å; C358-Y658 WeakPolarHBondContact SG-CD2 3.21Å; C358-Y658 VanDerWaalsContact SG-CG 3.57Å; C358-M662 WeakPolarHBondContact O-CE 3.32Å
359L98.8Very high95Very high0 Ų019 Ų190%09%0.093CC..Hα-helixtrans-60.7-45.6178.2178.561.4000112.2V284 A288 Y291 F293 A305 I355 L356 L362 K363 F380V284-L359 HydrophobicContact CG1-CD2 4.02Å; A288-L359 HydrophobicContact CB-CD1 4.1Å; A288-L359 HydrophobicContact CB-CD2 4.33Å; Y291-L359 HydrophobicContact CD2-CD1 4.38Å; Y291-L359 HydrophobicContact CD2-CD2 4.46Å; Y291-L359 HydrophobicContact CD2-CG 4.13Å; Y291-L359 HydrophobicContact CE2-CD2 4.21Å; Y291-L359 HydrophobicContact CE2-CG 4.07Å; F293-L359 HydrophobicContact CD2-CD1 4.01Å; F293-L359 HydrophobicContact CE2-CD1 4.05Å; A305-L359 HydrophobicContact CB-CD1 3.83Å; I355-L359 PolarHBondContact O-N 2.77Å; L356-L359 HydrophobicContact CD1-CD2 4.08Å; L356-L359 PolarHBondContact O-N 2.72Å; L359-L362 PolarHBondContact O-N 2.96Å; L359-K363 PolarHBondContact O-N 2.91Å; L359-F380 HydrophobicContact CB-CE1 4.42Å; L359-F380 HydrophobicContact CB-CZ 4.07Å; L359-F380 HydrophobicContact CD1-CZ 4.13Å; L359-F380 HydrophobicContact CD2-CE1 4.46Å; L359-F380 HydrophobicContact CD2-CZ 3.93Å; L359-F380 HydrophobicContact CG-CZ 4.25Å
360F98.7Very high93.7Very high2 Ų221.2 Ų21.21%0.00911%0.105CC..Hα-helixtrans-69.9-41.7180-161.7-86.7000111.3N246 Q249 F250 Y291 L356 C358 L362 K363 L364 M655N246-F360 HydrophobicContact CB-CE1 3.69Å; N246-F360 HydrophobicContact CB-CZ 3.9Å; N246-F360 WeakPolarHBondContact O-CZ 3.36Å; Q249-F360 HydrophobicContact CB-CE2 4.39Å; Q249-F360 HydrophobicContact CB-CZ 4.16Å; Q249-F360 HydrophobicContact CG-CE2 4.04Å; Q249-F360 HydrophobicContact CG-CZ 4.2Å; F250-F360 HydrophobicContact CB-CD1 3.87Å; F250-F360 HydrophobicContact CB-CD2 3.93Å; F250-F360 HydrophobicContact CB-CE1 3.79Å; F250-F360 HydrophobicContact CB-CE2 3.87Å; F250-F360 HydrophobicContact CB-CG 3.93Å; F250-F360 HydrophobicContact CB-CZ 3.79Å; F250-F360 HydrophobicContact CD2-CB 3.63Å; F250-F360 HydrophobicContact CD2-CD1 4.22Å; F250-F360 AromaticContact CD2-CD2 3.92Å; F250-F360 HydrophobicContact CD2-CD2 3.92Å; F250-F360 AromaticContact CD2-CG 3.66Å; F250-F360 HydrophobicContact CD2-CG 3.66Å; F250-F360 HydrophobicContact CE2-CB 4.1Å; F250-F360 HydrophobicContact CG-CB 4.47Å; F250-F360 HydrophobicContact CG-CD1 4.27Å; F250-F360 HydrophobicContact CG-CD2 4.4Å; F250-F360 HydrophobicContact CG-CG 4.13Å; Y291-F360 HydrophobicContact CE2-CD2 4.29Å; Y291-F360 WeakPolarHBondContact OH-CD2 3.14Å; L356-F360 VanDerWaalsContact O-CB 3.3Å; L356-F360 WeakPolarHBondContact O-CB 3.46Å; L356-F360 PolarHBondContact O-N 3.2Å; C358-F360 PolarHBondContact O-N 3.36Å; F360-L362 VanDerWaalsContact C-N 3.29Å; F360-L362 PolarHBondContact O-N 2.91Å; F360-K363 HydrophobicContact CD2-CD 4.3Å; F360-K363 HydrophobicContact CE2-CD 4.13Å; F360-K363 HydrophobicContact CZ-CD 4.44Å; F360-K363 WeakPolarHBondContact O-CA 3.03Å; F360-K363 VanDerWaalsContact O-CB 3.29Å; F360-K363 WeakPolarHBondContact O-CB 3.38Å; F360-K363 PolarHBondContact O-N 3.03Å; F360-K363 VanDerWaalsContact O-N 3.09Å; F360-L364 HydrophobicContact CD1-CD1 3.96Å; F360-L364 HydrophobicContact CD1-CD2 4.4Å; F360-L364 HydrophobicContact CD1-CG 4.01Å; F360-L364 HydrophobicContact CE1-CD1 3.93Å; F360-L364 HydrophobicContact CE1-CD2 3.86Å; F360-L364 HydrophobicContact CE1-CG 3.95Å; F360-L364 WeakPolarHBondContact O-CG 3.5Å; F360-L364 PolarHBondContact O-N 3.13Å; F360-M655 HydrophobicContact CB-CE 4.13Å; F360-M655 HydrophobicContact CD1-CE 3.88Å; F360-M655 HydrophobicContact CD1-SD 3.99Å; F360-M655 HydrophobicContact CG-CE 4.31Å
361G97.7Very high92.1Very high0 Ų024.3 Ų24.30%013%0.125CC..Hα-helixtrans-57.3-42.9172.600000112A357 C358 K363 L364 L365A357-G361 WeakPolarHBondContact O-CA 3.46Å; A357-G361 PolarHBondContact O-N 3.49Å; C358-G361 PolarHBondContact O-N 3.35Å; G361-K363 VanDerWaalsContact C-N 3.33Å; G361-K363 PolarHBondContact O-N 3.32Å; G361-L364 PolarHBondContact O-N 2.93Å; G361-L365 WeakPolarHBondContact O-CG 3.35Å; G361-L365 PolarHBondContact O-N 3.02Å
362L97.2Very high90.9Very high0 Ų026.4 Ų26.40%014%0.138CC..Hα-helixtrans-64-37.8175.4-168.665.4000112.2F293 W307 C358 L359 F360 L364 L365 K366 I376 I378 M662F293-L362 HydrophobicContact CD1-CD2 4.43Å; F293-L362 HydrophobicContact CE1-CD2 3.84Å; F293-L362 HydrophobicContact CE1-CG 3.87Å; F293-L362 HydrophobicContact CZ-CB 4.09Å; F293-L362 HydrophobicContact CZ-CD2 3.97Å; F293-L362 HydrophobicContact CZ-CG 3.73Å; W307-L362 HydrophobicContact CB-CD2 4.47Å; W307-L362 HydrophobicContact CE3-CD1 3.69Å; W307-L362 HydrophobicContact CE3-CG 4.32Å; W307-L362 HydrophobicContact CZ3-CD1 4.19Å; C358-L362 WeakPolarHBondContact O-CB 3.42Å; C358-L362 PolarHBondContact O-N 2.7Å; L359-L362 PolarHBondContact O-N 2.96Å; F360-L362 VanDerWaalsContact C-N 3.29Å; F360-L362 PolarHBondContact O-N 2.91Å; L362-L364 VanDerWaalsContact C-N 3.33Å; L362-L365 HydrophobicContact CD1-CD1 4.44Å; L362-L365 PolarHBondContact O-N 3.28Å; L362-K366 WeakPolarHBondContact O-CB 3.36Å; L362-K366 PolarHBondContact O-N 2.68Å; L362-I376 HydrophobicContact CD1-CD1 4.16Å; L362-I376 HydrophobicContact CD1-CG2 3.81Å; L362-I376 HydrophobicContact CD2-CG2 4.21Å; L362-I378 HydrophobicContact CB-CD1 4.47Å; L362-I378 HydrophobicContact CB-CG1 4.49Å; L362-I378 HydrophobicContact CD2-CD1 3.93Å; L362-I378 HydrophobicContact CD2-CG1 3.67Å; L362-M662 HydrophobicContact CB-CE 4.16Å; L362-M662 HydrophobicContact CB-SD 4.27Å; L362-M662 HydrophobicContact CD1-SD 4.16Å
363K96.8Very high90.1Very high19 Ų1934.4 Ų34.48%0.08317%0.173CC..Hα-helixtrans-57.6-48.3172.2168.9-157174.7-75.40110.2Y291 F293 L359 F360 G361 K366 E367Y291-K363 HydrophobicContact CD1-CD 3.56Å; Y291-K363 HydrophobicContact CD1-CG 4.14Å; Y291-K363 HydrophobicContact CD2-CB 3.84Å; Y291-K363 HydrophobicContact CD2-CD 3.98Å; Y291-K363 HydrophobicContact CD2-CG 4.18Å; Y291-K363 HydrophobicContact CE1-CD 3.69Å; Y291-K363 HydrophobicContact CE2-CB 4.4Å; Y291-K363 HydrophobicContact CE2-CD 4.09Å; Y291-K363 HydrophobicContact CG-CB 4.01Å; Y291-K363 HydrophobicContact CG-CD 3.73Å; Y291-K363 HydrophobicContact CG-CG 3.87Å; F293-K363 HydrophobicContact CE2-CB 4.12Å; F293-K363 HydrophobicContact CZ-CB 4.32Å; L359-K363 PolarHBondContact O-N 2.91Å; F360-K363 HydrophobicContact CD2-CD 4.3Å; F360-K363 HydrophobicContact CE2-CD 4.13Å; F360-K363 HydrophobicContact CZ-CD 4.44Å; F360-K363 WeakPolarHBondContact O-CA 3.03Å; F360-K363 VanDerWaalsContact O-CB 3.29Å; F360-K363 WeakPolarHBondContact O-CB 3.38Å; F360-K363 PolarHBondContact O-N 3.03Å; F360-K363 VanDerWaalsContact O-N 3.09Å; G361-K363 VanDerWaalsContact C-N 3.33Å; G361-K363 PolarHBondContact O-N 3.32Å; K363-K366 PolarHBondContact O-N 3.31Å; K363-E367 WeakPolarHBondContact CE-OE1 3.39Å; K363-E367 IonicContact NZ-OE1 2.82Å; K363-E367 PolarHBondContact NZ-OE1 3.43Å; K363-E367 IonicContact NZ-OE2 2.71Å; K363-E367 PolarHBondContact NZ-OE2 3.36Å; K363-E367 WeakPolarHBondContact O-CG 3.25Å; K363-E367 PolarHBondContact O-N 3.39Å
364L94.6Very high89.7Confident1 Ų137.9 Ų37.91%0.00519%0.188CC..Hα-helixtrans-62-45179.9-61.5-179.6000111.5V242 I243 N246 F360 G361 L362 K366 E367 M368 M655 M659V242-L364 HydrophobicContact CG1-CD1 4.32Å; V242-L364 HydrophobicContact CG2-CB 4.14Å; V242-L364 HydrophobicContact CG2-CD1 4.11Å; V242-L364 HydrophobicContact CG2-CD2 4.04Å; V242-L364 HydrophobicContact CG2-CG 4.3Å; I243-L364 HydrophobicContact CG1-CD1 4.28Å; N246-L364 HydrophobicContact CB-CD2 3.89Å; F360-L364 HydrophobicContact CD1-CD1 3.96Å; F360-L364 HydrophobicContact CD1-CD2 4.4Å; F360-L364 HydrophobicContact CD1-CG 4.01Å; F360-L364 HydrophobicContact CE1-CD1 3.93Å; F360-L364 HydrophobicContact CE1-CD2 3.86Å; F360-L364 HydrophobicContact CE1-CG 3.95Å; F360-L364 WeakPolarHBondContact O-CG 3.5Å; F360-L364 PolarHBondContact O-N 3.13Å; G361-L364 PolarHBondContact O-N 2.93Å; L362-L364 VanDerWaalsContact C-N 3.33Å; L364-K366 VanDerWaalsContact C-N 3.29Å; L364-K366 PolarHBondContact O-N 2.96Å; L364-E367 PolarHBondContact O-N 3.42Å; L364-M368 WeakPolarHBondContact O-CG 3.16Å; L364-M368 PolarHBondContact O-N 3.24Å; L364-M655 HydrophobicContact CD1-SD 4.17Å; L364-M659 HydrophobicContact CB-CE 3.76Å; L364-M659 HydrophobicContact CB-SD 4.34Å; L364-M659 HydrophobicContact CD1-CE 4.26Å; L364-M659 HydrophobicContact CD1-SD 4Å
365L91.6Very high89.5Confident5 Ų538 Ų383%0.02619%0.189CC..Hα-helixtrans-58.8-40.7175.9-68.8175.9000112.4W307 G361 L362 M368 L370 M659 M662 L663W307-L365 HydrophobicContact CH2-CB 4.46Å; W307-L365 HydrophobicContact CZ3-CB 4.03Å; G361-L365 WeakPolarHBondContact O-CG 3.35Å; G361-L365 PolarHBondContact O-N 3.02Å; L362-L365 HydrophobicContact CD1-CD1 4.44Å; L362-L365 PolarHBondContact O-N 3.28Å; L365-M368 HydrophobicContact CD2-SD 4.47Å; L365-M368 WeakPolarHBondContact O-CB 3.21Å; L365-M368 PolarHBondContact O-N 2.87Å; L365-L370 HydrophobicContact CD2-CD1 4.03Å; L365-M659 HydrophobicContact CD1-CB 4.43Å; L365-M659 HydrophobicContact CD2-CB 4.36Å; L365-M659 HydrophobicContact CD2-CE 3.91Å; L365-M659 HydrophobicContact CG-CB 4.42Å; L365-M659 HydrophobicContact CG-CE 4.11Å; L365-M659 HydrophobicContact CG-CG 4.36Å; L365-M662 HydrophobicContact CD1-CB 4.18Å; L365-M662 HydrophobicContact CD1-CE 4.26Å; L365-L663 HydrophobicContact CD1-CB 4.32Å; L365-L663 HydrophobicContact CD2-CB 4.3Å; L365-L663 HydrophobicContact CD2-CD2 4.4Å
366K90.4Very high89.5Confident58 Ų5838 Ų3825%0.25219%0.189SC..Hα-helixtrans-67-36.6177.2179.3178.2170.9-160.70113Y291 G292 F293 W307 L362 K363 L364 M368 D369Y291-K366 PolarHBondContact O-NZ 3.43Å; G292-K366 PolarHBondContact O-NZ 3.4Å; F293-K366 HydrophobicContact CD1-CD 4.11Å; F293-K366 HydrophobicContact CE1-CB 4.34Å; F293-K366 HydrophobicContact CE1-CD 3.51Å; F293-K366 HydrophobicContact CZ-CB 4.42Å; F293-K366 HydrophobicContact CZ-CD 4.02Å; W307-K366 HydrophobicContact CD2-CB 4.13Å; W307-K366 HydrophobicContact CD2-CD 4.44Å; W307-K366 HydrophobicContact CD2-CG 4.29Å; W307-K366 HydrophobicContact CE3-CB 4.3Å; W307-K366 HydrophobicContact CG-CD 4.37Å; W307-K366 VanDerWaalsContact CH2-CA 3.48Å; W307-K366 HydrophobicContact CH2-CB 4.03Å; W307-K366 HydrophobicContact CZ2-CB 3.85Å; W307-K366 HydrophobicContact CZ2-CG 3.95Å; W307-K366 HydrophobicContact CZ3-CB 4.25Å; L362-K366 WeakPolarHBondContact O-CB 3.36Å; L362-K366 PolarHBondContact O-N 2.68Å; K363-K366 PolarHBondContact O-N 3.31Å; L364-K366 VanDerWaalsContact C-N 3.29Å; L364-K366 PolarHBondContact O-N 2.96Å; K366-M368 PolarHBondContact O-N 3.47Å; K366-D369 PolarHBondContact O-N 3.33Å
367E88.1Confident89.5Confident117 Ų11738.6 Ų38.655%0.54719%0.191SC..Hα-helixtrans-71-17.6176.8-73.3170.8172.900113K363 L364 D369K363-E367 WeakPolarHBondContact CE-OE1 3.39Å; K363-E367 IonicContact NZ-OE1 2.82Å; K363-E367 PolarHBondContact NZ-OE1 3.43Å; K363-E367 IonicContact NZ-OE2 2.71Å; K363-E367 PolarHBondContact NZ-OE2 3.36Å; K363-E367 WeakPolarHBondContact O-CG 3.25Å; K363-E367 PolarHBondContact O-N 3.39Å; L364-E367 PolarHBondContact O-N 3.42Å; E367-D369 VanDerWaalsContact C-N 3.25Å; E367-D369 PolarHBondContact O-N 3.47Å
368M82.7Confident89.5Confident39 Ų3938.6 Ų38.619%0.19219%0.191CC..THydrogen-bonded Turntrans-78-4.1173.3-67177.6-168.500114.2T239 V242 L364 L365 K366 L370 M659T239-M368 HydrophobicContact CG2-CE 3.89Å; V242-M368 HydrophobicContact CB-CE 3.82Å; V242-M368 HydrophobicContact CG1-CE 3.55Å; V242-M368 HydrophobicContact CG2-CE 3.69Å; L364-M368 WeakPolarHBondContact O-CG 3.16Å; L364-M368 PolarHBondContact O-N 3.24Å; L365-M368 HydrophobicContact CD2-SD 4.47Å; L365-M368 WeakPolarHBondContact O-CB 3.21Å; L365-M368 PolarHBondContact O-N 2.87Å; K366-M368 PolarHBondContact O-N 3.47Å; M368-L370 VanDerWaalsContact C-N 3.26Å; M368-L370 HydrophobicContact CB-CD1 4.04Å; M368-L370 HydrophobicContact CB-CD2 4.27Å; M368-L370 HydrophobicContact CB-CG 3.74Å; M368-L370 PolarHBondContact O-N 3.2Å; M368-L370 HydrophobicContact SD-CD1 4.12Å; M368-M659 HydrophobicContact CE-CE 3.95Å
369D72.8Confident89.5Confident133 Ų13338.6 Ų38.671%0.71119%0.191SC*.THydrogen-bonded Turntrans55.639.5179.9-160.236.2000113.1K366 E367K366-D369 PolarHBondContact O-N 3.33Å; E367-D369 VanDerWaalsContact C-N 3.25Å; E367-D369 PolarHBondContact O-N 3.47Å
370L72.1Confident89.5Confident54 Ų5438.6 Ų38.628%0.28319%0.191SC..  trans-75.9146.4-179.9-61.5172.9000111.3L365 M368 V372 L663L365-L370 HydrophobicContact CD2-CD1 4.03Å; M368-L370 VanDerWaalsContact C-N 3.26Å; M368-L370 HydrophobicContact CB-CD1 4.04Å; M368-L370 HydrophobicContact CB-CD2 4.27Å; M368-L370 HydrophobicContact CB-CG 3.74Å; M368-L370 PolarHBondContact O-N 3.2Å; M368-L370 HydrophobicContact SD-CD1 4.12Å; L370-V372 PolarHBondContact O-N 2.86Å; L370-L663 HydrophobicContact CD1-CD1 3.74Å; L370-L663 HydrophobicContact CD1-CD2 4.15Å
371P63.6Low89.4Confident78 Ų7838.5 Ų38.551%0.50619%0.191SC..  trans-66124.6173.727.9-33000110.1
372V72.6Confident89.5Confident45 Ų4538.6 Ų38.627%0.27319%0.191SC..  trans-108.4115.5176.9177.90000109.2W307 L370 K374 I666W307-V372 HydrophobicContact CD2-CG2 3.94Å; W307-V372 HydrophobicContact CE3-CG2 3.91Å; W307-V372 HydrophobicContact CH2-CG2 3.2Å; W307-V372 HydrophobicContact CZ2-CG2 3.2Å; W307-V372 HydrophobicContact CZ3-CG2 3.57Å; L370-V372 PolarHBondContact O-N 2.86Å; V372-K374 WeakPolarHBondContact CG1-O 3.45Å; V372-I666 HydrophobicContact CG1-CD1 4.3Å; V372-I666 HydrophobicContact CG2-CD1 4.16Å
373K81.5Confident89.5Confident168 Ų16838.6 Ų38.673%0.7319%0.191SC*.  trans-90.4-33.8178.2-57.7-164-157.6137.30112.5I666 E667K373-I666 WeakPolarHBondContact CB-O 3.43Å; K373-I666 PolarHBondContact N-O 3.31Å; K373-I666 VanDerWaalsContact N-O 3.1Å; K373-E667 WeakPolarHBondContact CD-O 3.36Å; K373-E667 VanDerWaalsContact CE-O 3.25Å; K373-E667 WeakPolarHBondContact CE-O 3.42Å; K373-E667 PolarHBondContact NZ-O 3.18Å
374K90.1Very high89.4Confident72 Ų7238.6 Ų38.631%0.31319%0.192SC..SBendtrans-115.1141.3178.8-54.1179.9-161.6138.80111.3I314 V372 L665 I666 E667I314-K374 HydrophobicContact CD1-CD 4.33Å; I314-K374 HydrophobicContact CG1-CB 4.39Å; I314-K374 HydrophobicContact CG1-CD 4.31Å; V372-K374 WeakPolarHBondContact CG1-O 3.45Å; K374-L665 WeakPolarHBondContact CD-O 3.48Å; K374-L665 PolarHBondContact NZ-O 3.47Å; K374-I666 HydrophobicContact CB-CB 4.48Å; K374-I666 PolarHBondContact N-O 2.97Å; K374-I666 VanDerWaalsContact N-O 3.16Å; K374-E667 PolarHBondContact NZ-OXT 3.28Å
375T96Very high89.4Confident4 Ų440.2 Ų40.23%0.02520%0.199CC..EExtended strand (participates in β ladder)trans-62.1145.3170.6-59.10000109.7Q306 W307 E309 A310 D312 Y313 I314Q306-T375 VanDerWaalsContact CD-CG2 3.49Å; Q306-T375 HydrophobicContact CG-CG2 3.47Å; Q306-T375 VanDerWaalsContact CG-CG2 3.47Å; W307-T375 WeakPolarHBondContact O-CA 3.33Å; E309-T375 PolarHBondContact N-OG1 3.18Å; A310-T375 WeakPolarHBondContact CA-OG1 2.99Å; A310-T375 WeakPolarHBondContact CB-OG1 3.03Å; A310-T375 PolarHBondContact N-OG1 2.99Å; A310-T375 PolarHBondContact O-OG1 2.99Å; A310-T375 VanDerWaalsContact O-OG1 3.12Å; D312-T375 WeakPolarHBondContact O-CB 3.47Å; Y313-T375 CarbonylContact C-O 3.5Å; Y313-T375 WeakPolarHBondContact CA-O 3.41Å; Y313-T375 WeakPolarHBondContact CB-O 3.31Å; I314-T375 PolarHBondContact N-O 3.31Å
376I97.5Very high89.4Confident0 Ų043.7 Ų43.70%022%0.218CC..EExtended strand (participates in β ladder)trans-128.5141.4172.5-177.9167000111.1Q306 W307 I314 V316 L362 M662 I666Q306-I376 WeakPolarHBondContact CA-O 3.49Å; W307-I376 HydrophobicContact CB-CG2 3.99Å; W307-I376 HydrophobicContact CE3-CG2 4.26Å; W307-I376 PolarHBondContact N-O 2.89Å; W307-I376 PolarHBondContact O-N 3.34Å; I314-I376 HydrophobicContact CB-CB 4.46Å; I314-I376 HydrophobicContact CB-CG1 4.38Å; I314-I376 HydrophobicContact CG2-CD1 4.42Å; I314-I376 HydrophobicContact CG2-CG1 4.48Å; I314-I376 CarbonylContact O-C 3.55Å; I314-I376 VanDerWaalsContact O-CA 3.29Å; I314-I376 WeakPolarHBondContact O-CA 3.24Å; I314-I376 WeakPolarHBondContact O-CG1 3.43Å; V316-I376 HydrophobicContact CG2-CD1 4.33Å; L362-I376 HydrophobicContact CD1-CD1 4.16Å; L362-I376 HydrophobicContact CD1-CG2 3.81Å; L362-I376 HydrophobicContact CD2-CG2 4.21Å; I376-M662 HydrophobicContact CD1-CB 3.74Å; I376-M662 HydrophobicContact CD1-CG 3.63Å; I376-M662 HydrophobicContact CD1-SD 3.8Å; I376-I666 HydrophobicContact CB-CG2 3.75Å; I376-I666 HydrophobicContact CD1-CG2 3.99Å; I376-I666 HydrophobicContact CG1-CG2 4.38Å; I376-I666 HydrophobicContact CG2-CD1 4.49Å; I376-I666 HydrophobicContact CG2-CG2 4.14Å
377R98.3Very high89.3Confident15 Ų1542.8 Ų42.86%0.05723%0.225CC..EExtended strand (participates in β ladder)trans-123.1127.7174.5-65.9-175.2179.3175.1-3.1110.7Y304 A305 Q306 Y313 I314 V316 I379 Y394 E398Y304-R377 HydrophobicContact CD2-CG 4.49Å; A305-R377 CarbonylContact O-C 3.55Å; A305-R377 WeakPolarHBondContact O-CA 3.47Å; Q306-R377 HydrophobicContact CB-CG 4.04Å; Q306-R377 HydrophobicContact CG-CG 4.06Å; Y313-R377 HydrophobicContact CD2-CB 3.74Å; Y313-R377 HydrophobicContact CD2-CG 3.67Å; Y313-R377 HydrophobicContact CE2-CB 4.04Å; Y313-R377 HydrophobicContact CE2-CG 4.15Å; Y313-R377 HydrophobicContact CG-CG 3.98Å; I314-R377 PolarHBondContact O-N 3.33Å; V316-R377 PolarHBondContact N-O 2.95Å; R377-I379 HydrophobicContact CB-CD1 4.39Å; R377-I379 HydrophobicContact CB-CG1 4.01Å; R377-Y394 PolarHBondContact NH1-OH 2.92Å; R377-E398 IonicContact CZ-OE2 3.95Å; R377-E398 IonicContact NH1-OE2 2.71Å; R377-E398 PolarHBondContact NH1-OE2 3.08Å; R377-E398 IonicContact NH2-OE2 3.57Å; R377-E398 PolarHBondContact NH2-OE2 3.37Å; R377-E398 VanDerWaalsContact NH2-OE2 3.16Å
378I98.8Very high89.5Confident0 Ų037.3 Ų37.30%020%0.2CC..EExtended strand (participates in β ladder)trans-88.2120.6158.4-44.2-56.9000107.1Y304 A305 V316 I355 C358 L362 F380 M662Y304-I378 CarbonylContact C-O 3.6Å; Y304-I378 WeakPolarHBondContact CA-O 3.21Å; A305-I378 HydrophobicContact CB-CB 4.5Å; A305-I378 PolarHBondContact N-O 3.32Å; A305-I378 PolarHBondContact O-N 3.06Å; V316-I378 HydrophobicContact CB-CD1 3.69Å; V316-I378 HydrophobicContact CG1-CD1 4.34Å; V316-I378 HydrophobicContact CG2-CD1 3.94Å; V316-I378 CarbonylContact O-C 3.59Å; V316-I378 VanDerWaalsContact O-CA 3.31Å; V316-I378 WeakPolarHBondContact O-CA 3.15Å; I355-I378 HydrophobicContact CD1-CG2 3.63Å; I355-I378 HydrophobicContact CG1-CG2 4.15Å; C358-I378 HydrophobicContact CB-CD1 4.25Å; C358-I378 HydrophobicContact CB-CG2 4.49Å; L362-I378 HydrophobicContact CB-CD1 4.47Å; L362-I378 HydrophobicContact CB-CG1 4.49Å; L362-I378 HydrophobicContact CD2-CD1 3.93Å; L362-I378 HydrophobicContact CD2-CG1 3.67Å; I378-F380 HydrophobicContact CB-CE2 4.03Å; I378-F380 HydrophobicContact CB-CZ 3.83Å; I378-F380 HydrophobicContact CG2-CD1 4.49Å; I378-F380 HydrophobicContact CG2-CE1 3.69Å; I378-F380 HydrophobicContact CG2-CE2 3.94Å; I378-F380 HydrophobicContact CG2-CZ 3.36Å; I378-F380 WeakPolarHBondContact O-CE2 3.47Å; I378-M662 HydrophobicContact CD1-SD 3.69Å
379I98.8Very high90.1Very high0 Ų038 Ų380%021%0.208CC..EExtended strand (participates in β ladder)trans-110.6130.8-174.6-58.6172.9000108.2V302 G303 Y313 V316 V317 G318 R377 Y394V302-I379 HydrophobicContact CG1-CG2 3.39Å; G303-I379 CarbonylContact O-C 3.55Å; G303-I379 WeakPolarHBondContact O-CA 3.32Å; Y313-I379 HydrophobicContact CE2-CD1 3.91Å; V316-I379 PolarHBondContact O-N 2.92Å; V317-I379 WeakPolarHBondContact CA-O 3.16Å; V317-I379 HydrophobicContact CB-CB 4.36Å; V317-I379 HydrophobicContact CG1-CB 4.02Å; V317-I379 HydrophobicContact CG1-CG2 4.01Å; V317-I379 HydrophobicContact CG2-CB 4.18Å; V317-I379 HydrophobicContact CG2-CD1 4.08Å; G318-I379 PolarHBondContact N-O 3.49Å; R377-I379 HydrophobicContact CB-CD1 4.39Å; R377-I379 HydrophobicContact CB-CG1 4.01Å; I379-Y394 HydrophobicContact CD1-CE1 4.09Å; I379-Y394 HydrophobicContact CD1-CE2 4.48Å; I379-Y394 WeakPolarHBondContact CD1-OH 3.17Å; I379-Y394 HydrophobicContact CG2-CE2 4.41Å
380F98.8Very high91.3Very high0 Ų031.7 Ų31.70%018%0.175CC..EExtended strand (participates in β ladder)trans-119.3101.5-173.7-52.4-86.1000109.4L281 V284 M285 V302 G303 A305 G318 L320 I355 L359 I378L281-F380 HydrophobicContact CD1-CB 4.25Å; V284-F380 HydrophobicContact CG1-CD1 3.66Å; V284-F380 HydrophobicContact CG1-CD2 4.02Å; V284-F380 HydrophobicContact CG1-CE1 3.47Å; V284-F380 VanDerWaalsContact CG1-CE1 3.47Å; V284-F380 HydrophobicContact CG1-CE2 3.86Å; V284-F380 HydrophobicContact CG1-CG 3.92Å; V284-F380 HydrophobicContact CG1-CZ 3.57Å; M285-F380 HydrophobicContact CE-CD2 3.31Å; M285-F380 HydrophobicContact CE-CE2 3.64Å; M285-F380 HydrophobicContact CE-CG 4.22Å; V302-F380 WeakPolarHBondContact CA-O 3.37Å; G303-F380 PolarHBondContact N-O 3.41Å; G303-F380 PolarHBondContact O-N 3.36Å; A305-F380 HydrophobicContact CB-CE2 4Å; G318-F380 WeakPolarHBondContact O-CA 3.3Å; L320-F380 HydrophobicContact CD1-CB 3.82Å; L320-F380 HydrophobicContact CD1-CG 4.46Å; L320-F380 HydrophobicContact CD2-CD1 4.23Å; L320-F380 HydrophobicContact CG-CB 4.09Å; L320-F380 HydrophobicContact CG-CD1 4.48Å; I355-F380 HydrophobicContact CG1-CD1 3.69Å; I355-F380 HydrophobicContact CG1-CE1 3.72Å; I355-F380 HydrophobicContact CG2-CD1 4.33Å; I355-F380 HydrophobicContact CG2-CE1 4.49Å; L359-F380 HydrophobicContact CB-CE1 4.42Å; L359-F380 HydrophobicContact CB-CZ 4.07Å; L359-F380 HydrophobicContact CD1-CZ 4.13Å; L359-F380 HydrophobicContact CD2-CE1 4.46Å; L359-F380 HydrophobicContact CD2-CZ 3.93Å; L359-F380 HydrophobicContact CG-CZ 4.25Å; I378-F380 HydrophobicContact CB-CE2 4.03Å; I378-F380 HydrophobicContact CB-CZ 3.83Å; I378-F380 HydrophobicContact CG2-CD1 4.49Å; I378-F380 HydrophobicContact CG2-CE1 3.69Å; I378-F380 HydrophobicContact CG2-CE2 3.94Å; I378-F380 HydrophobicContact CG2-CZ 3.36Å; I378-F380 WeakPolarHBondContact O-CE2 3.47Å
381G98.5Very high92.4Very high0 Ų029.1 Ų29.10%016%0.161CC..EExtended strand (participates in β ladder)trans-80.6168.917200000113.2G318 H319 L320 D390 Y618G318-G381 PolarHBondContact O-N 3.02Å; H319-G381 WeakPolarHBondContact CA-O 3.48Å; L320-G381 PolarHBondContact N-O 2.93Å; G381-D390 WeakPolarHBondContact CA-OD2 3.25Å; G381-Y618 VanDerWaalsContact CA-OH 3.28Å; G381-Y618 WeakPolarHBondContact CA-OH 3.37Å
382T98.4Very high94Very high3 Ų329.2 Ų29.22%0.01816%0.162CC..SBendtrans-14013.4-173.361.50000114.3F273 P277 L281 A301 D321 D390F273-T382 WeakPolarHBondContact CD2-OG1 3.49Å; P277-T382 HydrophobicContact CB-CG2 4.31Å; L281-T382 HydrophobicContact CB-CG2 3.92Å; L281-T382 HydrophobicContact CD1-CG2 4.47Å; L281-T382 HydrophobicContact CD2-CG2 4.08Å; L281-T382 HydrophobicContact CG-CG2 4.38Å; A301-T382 WeakPolarHBondContact O-CB 3.44Å; A301-T382 VanDerWaalsContact O-CG2 3.25Å; A301-T382 WeakPolarHBondContact O-CG2 3.11Å; A301-T382 PolarHBondContact O-OG1 3.44Å; D321-T382 WeakPolarHBondContact CB-O 3.28Å; T382-D390 PolarHBondContact N-OD2 3.25Å
383D97.4Very high95.2Very high0 Ų029.7 Ų29.70%016%0.162CC..  trans-147.724.7177.9-158.555.8000114.4K264 F273 D321 E385 N386 S388 S389 D390K264-D383 WeakPolarHBondContact CD-OD1 3.28Å; K264-D383 WeakPolarHBondContact CE-OD1 3.35Å; K264-D383 IonicContact NZ-OD1 3.13Å; K264-D383 PolarHBondContact NZ-OD1 2.59Å; K264-D383 IonicContact NZ-OD2 3.85Å; K264-D383 PolarHBondContact NZ-OD2 3.33Å; F273-D383 HydrophobicContact CD1-CB 3.8Å; F273-D383 VanDerWaalsContact CD1-CG 3.41Å; F273-D383 WeakPolarHBondContact CD1-OD1 3.49Å; F273-D383 HydrophobicContact CD2-CB 3.86Å; F273-D383 HydrophobicContact CE1-CB 3.92Å; F273-D383 HydrophobicContact CE2-CB 3.95Å; F273-D383 HydrophobicContact CG-CB 3.77Å; F273-D383 HydrophobicContact CZ-CB 3.98Å; D321-D383 PolarHBondContact OD1-N 3.26Å; D321-D383 VanDerWaalsContact OD2-C 3.25Å; D321-D383 VanDerWaalsContact OD2-CA 3.28Å; D321-D383 WeakPolarHBondContact OD2-CA 3.43Å; D383-E385 PolarHBondContact O-N 3Å; D383-N386 PolarHBondContact O-N 2.86Å; D383-N386 WeakPolarHBondContact OD1-CB 3.34Å; D383-S388 VanDerWaalsContact O-CA 3.32Å; D383-S388 WeakPolarHBondContact O-CA 2.89Å; D383-S388 PolarHBondContact O-N 2.69Å; D383-S389 WeakPolarHBondContact OD2-CB 3.35Å; D383-S389 PolarHBondContact OD2-N 2.99Å; D383-S389 PolarHBondContact OD2-OG 2.93Å; D383-D390 HydrophobicContact CB-CB 3.95Å; D383-D390 PolarHBondContact N-OD2 2.9Å
384E96Very high96Very high18 Ų1821.7 Ų21.78%0.08413%0.128CC..G310 helixtrans-58.4-51.4-177.3-156.3-70.5151.800110.9H319 D321 N386 G387 S388 T617 Y618H319-E384 HydrophobicContact CB-CB 3.56Å; H319-E384 HydrophobicContact CB-CG 4.33Å; H319-E384 VanDerWaalsContact CG-CB 3.42Å; D321-E384 PolarHBondContact OD1-N 2.88Å; D321-E384 PolarHBondContact OD2-N 3.47Å; D321-E384 VanDerWaalsContact OD2-N 3.13Å; E384-N386 PolarHBondContact O-N 2.94Å; E384-G387 PolarHBondContact O-N 2.81Å; E384-S388 PolarHBondContact O-N 2.97Å; E384-T617 WeakPolarHBondContact OE1-CA 3.39Å; E384-Y618 HydrophobicContact CB-CE1 3.8Å; E384-Y618 HydrophobicContact CB-CE2 4.09Å; E384-Y618 WeakPolarHBondContact CB-OH 3.36Å; E384-Y618 HydrophobicContact CG-CD1 3.83Å; E384-Y618 HydrophobicContact CG-CD2 4.15Å; E384-Y618 HydrophobicContact CG-CE1 3.59Å; E384-Y618 HydrophobicContact CG-CE2 3.94Å; E384-Y618 HydrophobicContact CG-CG 4.09Å; E384-Y618 PolarHBondContact N-OH 2.96Å
385E93.6Very high96.3Very high36 Ų3621 Ų2117%0.16813%0.127CC..G310 helixtrans-62.6-13-172.1-64.4-82.2-144.100112.4H319 D321 V323 D383 H640H319-E385 IonicContact CE1-OE1 3.13Å; D321-E385 WeakPolarHBondContact OD2-CB 3.33Å; D321-E385 PolarHBondContact OD2-N 2.99Å; D321-E385 VanDerWaalsContact OD2-N 3.11Å; V323-E385 HydrophobicContact CG1-CB 4.15Å; V323-E385 HydrophobicContact CG1-CG 4.26Å; V323-E385 WeakPolarHBondContact CG1-OE2 3.49Å; D383-E385 PolarHBondContact O-N 3Å; E385-H640 IonicContact OE1-CD2 2.75Å; E385-H640 IonicContact OE1-NE2 2.72Å; E385-H640 PolarHBondContact OE1-NE2 3.23Å; E385-H640 VanDerWaalsContact OE1-NE2 3.16Å; E385-H640 IonicContact OE2-CD2 2.71Å; E385-H640 IonicContact OE2-CE1 3.93Å; E385-H640 PolarHBondContact OE2-CE1 2.75Å; E385-H640 IonicContact OE2-NE2 3.16Å; E385-H640 PolarHBondContact OE2-NE2 3.12Å
386N91.3Very high96.4Very high77 Ų7724.5 Ų24.541%0.41215%0.152SC..G310 helixtrans-118.217.3-175.6-61.5-93.7000112.9K264 D383 E384K264-N386 HydrophobicContact CD-CB 3.51Å; K264-N386 WeakPolarHBondContact CD-OD1 3.32Å; D383-N386 PolarHBondContact O-N 2.86Å; D383-N386 WeakPolarHBondContact OD1-CB 3.34Å; E384-N386 PolarHBondContact O-N 2.94Å
387G88.2Confident96.4Very high40 Ų4030.1 Ų30.141%0.41218%0.178SC..THydrogen-bonded Turntrans103.517.9173.400000115.1E384 S389E384-G387 PolarHBondContact O-N 2.81Å; G387-S389 VanDerWaalsContact C-N 3.33Å; G387-S389 PolarHBondContact O-N 3.03Å
388S93.1Very high96.3Very high2 Ų231.2 Ų31.21%0.01418%0.184CC..  trans59.237.6169.3-43.50000114.1D383 E384 D390 I391 P392 F621D383-S388 VanDerWaalsContact O-CA 3.32Å; D383-S388 WeakPolarHBondContact O-CA 2.89Å; D383-S388 PolarHBondContact O-N 2.69Å; E384-S388 PolarHBondContact O-N 2.97Å; S388-D390 VanDerWaalsContact CA-OD1 3.3Å; S388-D390 WeakPolarHBondContact CA-OD1 3.41Å; S388-D390 PolarHBondContact O-N 2.93Å; S388-I391 PolarHBondContact O-N 3.17Å; S388-P392 VanDerWaalsContact O-CD 3.3Å; S388-P392 WeakPolarHBondContact O-CD 3.44Å; S388-F621 WeakPolarHBondContact OG-CD2 3.45Å; S388-F621 WeakPolarHBondContact OG-CE2 3.48Å
389S95Very high96.2Very high53 Ų5338.1 Ų38.137%0.37122%0.216SC..THydrogen-bonded Turntrans-73.3-6.4-17873.70000113.9F273 D383 G387F273-S389 WeakPolarHBondContact CE1-OG 3.43Å; D383-S389 WeakPolarHBondContact OD2-CB 3.35Å; D383-S389 PolarHBondContact OD2-N 2.99Å; D383-S389 PolarHBondContact OD2-OG 2.93Å; G387-S389 VanDerWaalsContact C-N 3.33Å; G387-S389 PolarHBondContact O-N 3.03Å
390D97.5Very high96.1Very high0 Ų040.1 Ų40.10%023%0.229CC..THydrogen-bonded Turntrans-76.6-30.5171.361.5-25.6000113.6F273 A301 V302 G381 T382 D383 S388 L393 Y394 Y618F273-D390 HydrophobicContact CD2-CB 4.39Å; F273-D390 HydrophobicContact CE2-CB 3.52Å; F273-D390 HydrophobicContact CZ-CB 3.91Å; A301-D390 HydrophobicContact CB-CB 4.22Å; V302-D390 HydrophobicContact CG2-CB 3.84Å; V302-D390 WeakPolarHBondContact CG2-O 3.43Å; G381-D390 WeakPolarHBondContact CA-OD2 3.25Å; T382-D390 PolarHBondContact N-OD2 3.25Å; D383-D390 HydrophobicContact CB-CB 3.95Å; D383-D390 PolarHBondContact N-OD2 2.9Å; S388-D390 VanDerWaalsContact CA-OD1 3.3Å; S388-D390 WeakPolarHBondContact CA-OD1 3.41Å; S388-D390 PolarHBondContact O-N 2.93Å; D390-L393 WeakPolarHBondContact O-CB 3.23Å; D390-L393 PolarHBondContact O-N 3.08Å; D390-L393 VanDerWaalsContact O-N 3.12Å; D390-Y394 PolarHBondContact O-N 3.08Å; D390-Y618 PolarHBondContact OD1-OH 2.81Å; D390-Y618 PolarHBondContact OD2-OH 2.82Å
391I96.7Very high96Very high1 Ų140.2 Ų40.21%0.00523%0.23CC..Hα-helixtrans-64.5-44.7-179.5-61.6-47.6000113.3S388 L393 Y394 L395 Y618 F621 I622S388-I391 PolarHBondContact O-N 3.17Å; I391-L393 PolarHBondContact O-N 2.6Å; I391-Y394 WeakPolarHBondContact O-CB 3.38Å; I391-Y394 PolarHBondContact O-N 2.73Å; I391-Y394 VanDerWaalsContact O-N 3.08Å; I391-L395 HydrophobicContact CG2-CD1 3.81Å; I391-L395 HydrophobicContact CG2-CG 4.14Å; I391-L395 PolarHBondContact O-N 3.12Å; I391-Y618 HydrophobicContact CD1-CD1 3.65Å; I391-Y618 HydrophobicContact CD1-CE1 3.48Å; I391-Y618 VanDerWaalsContact CD1-CE1 3.48Å; I391-Y618 HydrophobicContact CD1-CE2 4.34Å; I391-Y618 HydrophobicContact CD1-CG 4.19Å; I391-Y618 HydrophobicContact CG1-CD1 3.34Å; I391-Y618 HydrophobicContact CG1-CE1 3.31Å; I391-Y618 HydrophobicContact CG1-CG 4.25Å; I391-F621 HydrophobicContact CB-CB 4.01Å; I391-F621 HydrophobicContact CG1-CB 4.15Å; I391-F621 HydrophobicContact CG2-CB 3.77Å; I391-I622 HydrophobicContact CB-CG1 4.49Å; I391-I622 HydrophobicContact CD1-CD1 3.8Å; I391-I622 HydrophobicContact CD1-CG1 4.13Å; I391-I622 HydrophobicContact CG1-CD1 4.41Å; I391-I622 HydrophobicContact CG1-CG1 4.24Å; I391-I622 HydrophobicContact CG2-CD1 4.32Å; I391-I622 HydrophobicContact CG2-CG1 3.45Å; I391-I622 VanDerWaalsContact CG2-CG1 3.45Å
392P96.5Very high95.9Very high79 Ų7944.9 Ų44.951%0.51325%0.251SS..Hα-helixtrans-57-32.5172-27.135.8000113.4S388 S396S388-P392 VanDerWaalsContact O-CD 3.3Å; S388-P392 WeakPolarHBondContact O-CD 3.44Å; P392-S396 WeakPolarHBondContact O-CB 3.25Å; P392-S396 PolarHBondContact O-N 3.41Å; P392-S396 VanDerWaalsContact O-N 3.12Å
393L97.4Very high95.9Very high55 Ų5545 Ų4529%0.28825%0.252SS..Hα-helixtrans-69.9-38.6175.9-59.3176.2000111.5F273 N299 A301 D390 I391 S396F273-L393 HydrophobicContact CE2-CD1 4.25Å; F273-L393 HydrophobicContact CZ-CD1 3.93Å; N299-L393 HydrophobicContact CB-CB 3.78Å; N299-L393 HydrophobicContact CB-CD1 4.41Å; N299-L393 HydrophobicContact CB-CG 4.48Å; N299-L393 PolarHBondContact ND2-O 3.06Å; A301-L393 HydrophobicContact CB-CB 4.28Å; A301-L393 HydrophobicContact CB-CD1 3.68Å; D390-L393 WeakPolarHBondContact O-CB 3.23Å; D390-L393 PolarHBondContact O-N 3.08Å; D390-L393 VanDerWaalsContact O-N 3.12Å; I391-L393 PolarHBondContact O-N 2.6Å; L393-S396 PolarHBondContact O-OG 3.04Å
394Y98.1Very high95.9Very high0 Ų045 Ų450%025%0.252CS..Hα-helixtrans-62.8-52.5172.6176.8-102.2000111.8I298 V302 Y304 Y313 R377 I379 D390 I391 S396 E397 E398I298-Y394 HydrophobicContact CB-CD2 4.3Å; I298-Y394 HydrophobicContact CG1-CD2 4.05Å; I298-Y394 HydrophobicContact CG1-CE2 4.32Å; V302-Y394 HydrophobicContact CB-CD2 4.04Å; V302-Y394 HydrophobicContact CB-CG 4.37Å; V302-Y394 HydrophobicContact CG1-CD2 3.64Å; V302-Y394 HydrophobicContact CG1-CE2 4.34Å; V302-Y394 HydrophobicContact CG1-CG 4.05Å; Y304-Y394 HydrophobicContact CD1-CE2 4.13Å; Y313-Y394 PolarHBondContact OH-OH 3.23Å; R377-Y394 PolarHBondContact NH1-OH 2.92Å; I379-Y394 HydrophobicContact CD1-CE1 4.09Å; I379-Y394 HydrophobicContact CD1-CE2 4.48Å; I379-Y394 WeakPolarHBondContact CD1-OH 3.17Å; I379-Y394 HydrophobicContact CG2-CE2 4.41Å; D390-Y394 PolarHBondContact O-N 3.08Å; I391-Y394 WeakPolarHBondContact O-CB 3.38Å; I391-Y394 PolarHBondContact O-N 2.73Å; I391-Y394 VanDerWaalsContact O-N 3.08Å; Y394-S396 PolarHBondContact O-N 2.96Å; Y394-S396 VanDerWaalsContact O-N 3.11Å; Y394-E397 PolarHBondContact O-N 3.12Å; Y394-E397 VanDerWaalsContact O-N 3.14Å; Y394-E398 HydrophobicContact CD1-CB 4.46Å; Y394-E398 HydrophobicContact CD2-CB 4.18Å; Y394-E398 HydrophobicContact CD2-CG 4.25Å; Y394-E398 HydrophobicContact CE1-CB 3.99Å; Y394-E398 HydrophobicContact CE2-CB 3.69Å; Y394-E398 HydrophobicContact CE2-CG 3.75Å; Y394-E398 PolarHBondContact O-N 3.26Å
395L97.5Very high96Very high57 Ų5744.1 Ų44.130%0.29825%0.248SC..Hα-helixtrans-68.2-10.3-177.7-64.3176.7000113.8I391 E397 E398 P400I391-L395 HydrophobicContact CG2-CD1 3.81Å; I391-L395 HydrophobicContact CG2-CG 4.14Å; I391-L395 PolarHBondContact O-N 3.12Å; L395-E397 VanDerWaalsContact C-N 3.34Å; L395-E398 WeakPolarHBondContact CA-O 3.1Å; L395-P400 HydrophobicContact CD2-CB 4.08Å
396S97.6Very high96.2Very high79 Ų7942.4 Ų42.455%0.55224%0.24SC*.THydrogen-bonded Turntrans-75.4-21.3173.776.30000113.7N299 P392 L393 Y394N299-S396 PolarHBondContact ND2-OG 3.37Å; P392-S396 WeakPolarHBondContact O-CB 3.25Å; P392-S396 PolarHBondContact O-N 3.41Å; P392-S396 VanDerWaalsContact O-N 3.12Å; L393-S396 PolarHBondContact O-OG 3.04Å; Y394-S396 PolarHBondContact O-N 2.96Å; Y394-S396 VanDerWaalsContact O-N 3.11Å
397E97.4Very high96.5Very high118 Ų11838.7 Ų38.755%0.55122%0.22SC*.THydrogen-bonded Turntrans-124.1-23-178.5-67.2-177.5-157.500113.4I298 N299 Y394 L395I298-E397 HydrophobicContact CG2-CB 3.78Å; I298-E397 HydrophobicContact CG2-CG 4.21Å; N299-E397 PolarHBondContact ND2-OE1 3.21Å; N299-E397 PolarHBondContact OD1-OE1 2.97Å; Y394-E397 PolarHBondContact O-N 3.12Å; Y394-E397 VanDerWaalsContact O-N 3.14Å; L395-E397 VanDerWaalsContact C-N 3.34Å
398E96.9Very high96.8Very high37 Ų3737.5 Ų37.517%0.17320%0.204CC..SBendtrans-119.8146.5-177.2-67.2-75.1174.600111.3I298 Y304 R377 Y394 L395I298-E398 HydrophobicContact CD1-CG 3.89Å; I298-E398 HydrophobicContact CG1-CG 3.88Å; Y304-E398 HydrophobicContact CE1-CG 4.27Å; Y304-E398 WeakPolarHBondContact CE1-OE1 3.46Å; Y304-E398 PolarHBondContact OH-OE1 3.17Å; R377-E398 IonicContact CZ-OE2 3.95Å; R377-E398 IonicContact NH1-OE2 2.71Å; R377-E398 PolarHBondContact NH1-OE2 3.08Å; R377-E398 IonicContact NH2-OE2 3.57Å; R377-E398 PolarHBondContact NH2-OE2 3.37Å; R377-E398 VanDerWaalsContact NH2-OE2 3.16Å; Y394-E398 HydrophobicContact CD1-CB 4.46Å; Y394-E398 HydrophobicContact CD2-CB 4.18Å; Y394-E398 HydrophobicContact CD2-CG 4.25Å; Y394-E398 HydrophobicContact CE1-CB 3.99Å; Y394-E398 HydrophobicContact CE2-CB 3.69Å; Y394-E398 HydrophobicContact CE2-CG 3.75Å; Y394-E398 PolarHBondContact O-N 3.26Å; L395-E398 WeakPolarHBondContact CA-O 3.1Å
399Q95.3Very high96.8Very high146 Ų14638.6 Ų38.668%0.68221%0.212SC*.PPolyproline II helixtrans-70.2151.3172.7-65.1-61.5-36.500110.7Y313Y313-Q399 WeakPolarHBondContact CE1-O 3.25Å; Y313-Q399 PolarHBondContact OH-O 3.24Å
400P96.6Very high96.8Very high42 Ų4239.7 Ų39.727%0.27321%0.209SC..PPolyproline II helixtrans-66.9159.4169.831.1-36.1000111.5L395 P623L395-P400 HydrophobicContact CD2-CB 4.08Å; P400-P623 HydrophobicContact CB-CB 4.02Å; P400-P623 HydrophobicContact CB-CG 3.99Å; P400-P623 HydrophobicContact CG-CB 4.36Å; P400-P623 HydrophobicContact CG-CG 4.29Å
401P97.6Very high96.6Very high1 Ų140 Ų401%0.00621%0.211CC..PPolyproline II helixtrans-63.7153.9174.127.4-33.7000111.7Y313 F403 I622 N624 I625Y313-P401 HydrophobicContact CD2-CB 4.06Å; Y313-P401 HydrophobicContact CE2-CB 3.61Å; Y313-P401 HydrophobicContact CE2-CG 4.41Å; Y313-P401 WeakPolarHBondContact O-CA 3.21Å; P401-F403 VanDerWaalsContact C-N 3.34Å; P401-I622 VanDerWaalsContact CD-CG2 3.49Å; P401-I622 HydrophobicContact CG-CG2 3.94Å; P401-N624 PolarHBondContact O-ND2 2.93Å; P401-I625 HydrophobicContact CG-CG2 3.45Å; P401-I625 VanDerWaalsContact CG-CG2 3.45Å
402Q96.5Very high96.5Very high98 Ų9840.5 Ų40.546%0.45821%0.214SC..SBendtrans-65.8-42.4170.6-72.4-170.9-36.900111.1D312 Y313 N624D312-Q402 HydrophobicContact CB-CG 4.09Å; D312-Q402 PolarHBondContact OD1-NE2 2.93Å; D312-Q402 PolarHBondContact OD2-NE2 2.82Å; Y313-Q402 PolarHBondContact O-N 2.76Å; Q402-N624 WeakPolarHBondContact O-CB 3.3Å
403F97.2Very high96.6Very high5 Ų536.8 Ų36.82%0.02219%0.19CC..EExtended strand (participates in β ladder)trans-152.3158.1168.2-179.7-97.5000108.4I314 G315 P401 F586 N592 V593 L596 N624 V626 L665I314-F403 CarbonylContact C-O 3.54Å; I314-F403 VanDerWaalsContact CA-O 3.31Å; I314-F403 WeakPolarHBondContact CA-O 3.28Å; I314-F403 HydrophobicContact CD1-CB 4.25Å; G315-F403 PolarHBondContact N-O 3.46Å; P401-F403 VanDerWaalsContact C-N 3.34Å; F403-F586 HydrophobicContact CD2-CE1 4.16Å; F403-F586 HydrophobicContact CD2-CZ 4.02Å; F403-F586 HydrophobicContact CE2-CD1 4.5Å; F403-F586 AromaticContact CE2-CE1 3.79Å; F403-F586 HydrophobicContact CE2-CE1 3.79Å; F403-F586 HydrophobicContact CE2-CZ 4.09Å; F403-N592 HydrophobicContact CD1-CB 3.49Å; F403-N592 VanDerWaalsContact CD1-CB 3.49Å; F403-N592 HydrophobicContact CD2-CB 3.72Å; F403-N592 HydrophobicContact CE1-CB 3.38Å; F403-N592 HydrophobicContact CE2-CB 3.62Å; F403-N592 HydrophobicContact CG-CB 3.65Å; F403-N592 HydrophobicContact CZ-CB 3.44Å; F403-N592 VanDerWaalsContact CZ-CB 3.44Å; F403-V593 HydrophobicContact CE2-CG2 4.36Å; F403-V593 HydrophobicContact CZ-CG2 4.45Å; F403-L596 HydrophobicContact CE1-CD1 3.89Å; F403-L596 HydrophobicContact CE1-CG 4.45Å; F403-L596 HydrophobicContact CZ-CD1 4.07Å; F403-N624 CarbonylContact C-O 3.5Å; F403-N624 VanDerWaalsContact CA-O 3.28Å; F403-N624 WeakPolarHBondContact CA-O 3.18Å; F403-V626 HydrophobicContact CE2-CG2 4.38Å; F403-V626 HydrophobicContact CZ-CG2 3.86Å; F403-L665 HydrophobicContact CD1-CD1 4.09Å; F403-L665 HydrophobicContact CD1-CD2 3.65Å; F403-L665 HydrophobicContact CE1-CD1 4.08Å; F403-L665 HydrophobicContact CE1-CD2 3.79Å
404G97.3Very high96.5Very high0 Ų034.2 Ų34.20%018%0.177CC..EExtended strand (participates in β ladder)trans-173.5-174.4173.700000114.1G315 N624 I625 V626G315-G404 CarbonylContact O-C 3.52Å; G315-G404 WeakPolarHBondContact O-CA 3.33Å; G404-N624 PolarHBondContact N-O 3.24Å; G404-I625 VanDerWaalsContact O-CA 3.3Å; G404-I625 WeakPolarHBondContact O-CA 3.23Å; G404-V626 PolarHBondContact O-N 3.15Å; G404-V626 VanDerWaalsContact O-N 3.16Å
405F98.2Very high96.3Very high0 Ų034.8 Ų34.80%018%0.179CC..EExtended strand (participates in β ladder)trans-141.9156.5173.464.8-89.4000112.5G315 V316 V317 P407 L596 V626 F628 Y658 M662 L665G315-F405 PolarHBondContact O-N 3.1Å; V316-F405 CarbonylContact C-O 3.49Å; V316-F405 VanDerWaalsContact CA-O 3.3Å; V316-F405 WeakPolarHBondContact CA-O 3.23Å; V316-F405 HydrophobicContact CB-CZ 4.38Å; V316-F405 HydrophobicContact CG1-CD2 4.18Å; V316-F405 HydrophobicContact CG1-CE2 3.64Å; V316-F405 HydrophobicContact CG1-CZ 3.86Å; V316-F405 HydrophobicContact CG2-CD1 4.27Å; V316-F405 HydrophobicContact CG2-CE1 3.64Å; V316-F405 HydrophobicContact CG2-CE2 4.23Å; V316-F405 HydrophobicContact CG2-CZ 3.61Å; V317-F405 PolarHBondContact N-O 2.95Å; F405-P407 HydrophobicContact CE2-CB 4.48Å; F405-L596 HydrophobicContact CB-CD1 4.07Å; F405-L596 HydrophobicContact CD1-CD1 4.09Å; F405-L596 HydrophobicContact CD1-CD2 4.32Å; F405-L596 HydrophobicContact CE1-CD2 4.49Å; F405-L596 HydrophobicContact CG-CD1 4.32Å; F405-V626 CarbonylContact C-O 3.49Å; F405-V626 WeakPolarHBondContact CA-O 3.4Å; F405-V626 HydrophobicContact CB-CG2 4.27Å; F405-V626 WeakPolarHBondContact CB-O 3.44Å; F405-F628 HydrophobicContact CB-CB 3.97Å; F405-F628 HydrophobicContact CD2-CB 4.06Å; F405-F628 HydrophobicContact CD2-CD1 4.2Å; F405-F628 HydrophobicContact CE2-CD1 4.41Å; F405-F628 HydrophobicContact CG-CB 4.21Å; F405-F628 HydrophobicContact CG-CD1 4.4Å; F405-Y658 AromaticContact CE2-CD1 3.7Å; F405-Y658 HydrophobicContact CE2-CD1 3.7Å; F405-Y658 HydrophobicContact CE2-CE1 4.13Å; F405-Y658 HydrophobicContact CE2-CG 4.48Å; F405-Y658 HydrophobicContact CZ-CD1 4.14Å; F405-M662 HydrophobicContact CE1-CG 4.27Å; F405-M662 HydrophobicContact CZ-CG 4.14Å; F405-L665 HydrophobicContact CD1-CD1 4.07Å; F405-L665 HydrophobicContact CE1-CD1 4.13Å
406T98.1Very high96.1Very high0 Ų032.1 Ų32.10%017%0.165CC..EExtended strand (participates in β ladder)trans-103.9126166-179.80000109.8V317 D408 T617 A619 V626 A627 F628V317-T406 WeakPolarHBondContact O-CA 3.4Å; V317-T406 WeakPolarHBondContact O-CB 3.35Å; V317-T406 PolarHBondContact O-OG1 3Å; T406-D408 PolarHBondContact O-N 2.98Å; T406-D408 VanDerWaalsContact OG1-CB 3.29Å; T406-D408 WeakPolarHBondContact OG1-CB 3.25Å; T406-T617 WeakPolarHBondContact CG2-OG1 3.32Å; T406-A619 HydrophobicContact CG2-CB 4.08Å; T406-V626 PolarHBondContact N-O 3.29Å; T406-A627 HydrophobicContact CG2-CB 3.85Å; T406-F628 PolarHBondContact O-N 2.86Å
407P97.8Very high95.9Very high0 Ų028.4 Ų28.40%014%0.139CC..SBendtrans-81.450.2176.337.9-34.8000109.9V316 V317 N351 P354 I355 F405 G629 P630 Y658V316-P407 HydrophobicContact CG1-CG 4.41Å; V317-P407 WeakPolarHBondContact O-CD 3.28Å; N351-P407 PolarHBondContact ND2-O 3.43Å; P354-P407 HydrophobicContact CB-CB 3.95Å; P354-P407 HydrophobicContact CB-CG 4.23Å; P354-P407 VanDerWaalsContact CB-O 3.24Å; P354-P407 WeakPolarHBondContact CB-O 3.45Å; I355-P407 HydrophobicContact CD1-CG 4Å; F405-P407 HydrophobicContact CE2-CB 4.48Å; P407-G629 CarbonylContact C-O 3.57Å; P407-P630 WeakPolarHBondContact O-CD 3.37Å; P407-Y658 HydrophobicContact CB-CE1 3.76Å; P407-Y658 HydrophobicContact CB-CE2 4.05Å; P407-Y658 VanDerWaalsContact CB-CZ 3.48Å; P407-Y658 WeakPolarHBondContact CB-OH 3.45Å
408D95Very high95.7Very high15 Ų1524.4 Ų24.48%0.0812%0.119CC..  trans-145.879.1-168.9-179.521.7000111.2H319 N351 T406 T617 G629H319-D408 IonicContact CD2-OD2 3.92Å; H319-D408 IonicContact NE2-OD2 3.8Å; H319-D408 PolarHBondContact NE2-OD2 3.34Å; N351-D408 VanDerWaalsContact ND2-CB 3.35Å; N351-D408 WeakPolarHBondContact ND2-CB 3.49Å; T406-D408 PolarHBondContact O-N 2.98Å; T406-D408 VanDerWaalsContact OG1-CB 3.29Å; T406-D408 WeakPolarHBondContact OG1-CB 3.25Å; D408-T617 WeakPolarHBondContact O-CG2 3.44Å; D408-G629 CarbonylContact C-O 3.56Å; D408-G629 PolarHBondContact N-O 3.28Å; D408-G629 VanDerWaalsContact N-O 3.16Å
409C92.8Very high95.6Very high25 Ų2522.6 Ų22.617%0.16911%0.111CC..SBendtrans173.6-121.6173.1-1650000109V414 T617 A627 G629 P630 S631C409-V414 HydrophobicContact CB-CG2 4.42Å; C409-T617 HydrophobicContact CB-CG2 4.13Å; C409-A627 HydrophobicContact CB-CB 3.66Å; C409-G629 CarbonylContact C-O 3.56Å; C409-G629 WeakPolarHBondContact CA-O 3.17Å; C409-G629 PolarHBondContact N-O 2.97Å; C409-G629 CarbonylContact O-C 3.57Å; C409-P630 WeakPolarHBondContact O-CD 3.37Å; C409-S631 VanDerWaalsContact O-CB 3.28Å; C409-S631 WeakPolarHBondContact O-CB 3.46Å; C409-S631 PolarHBondContact O-N 2.96Å; C409-S631 PolarHBondContact O-OG 3.23Å
410K94.2Very high95.5Very high75 Ų7516.4 Ų16.433%0.3268%0.082SC..BIsolated β-bridgetrans-132.7164.8-179.866.7-177.2177.3176.90110.4V414 T612 G629 S631K410-V414 HydrophobicContact CG-CG2 3.94Å; K410-T612 PolarHBondContact NZ-O 2.95Å; K410-G629 PolarHBondContact O-N 3.15Å; K410-G629 VanDerWaalsContact O-N 3.1Å; K410-S631 CarbonylContact C-O 3.5Å; K410-S631 VanDerWaalsContact CA-O 3.26Å; K410-S631 WeakPolarHBondContact CA-O 3.19Å
411Y94.8Very high95.4Very high7 Ų714.4 Ų14.43%0.0277%0.069CC..SBendtrans-87.2158.7163.7-73.1-62.7000112.4Y600 F628 G629 S631 F632 N654 I657 Y658Y411-Y600 AromaticContact CD1-CD2 3.56Å; Y411-Y600 HydrophobicContact CD1-CD2 3.56Å; Y411-Y600 AromaticContact CD1-CE2 3.85Å; Y411-Y600 HydrophobicContact CD1-CE2 3.85Å; Y411-Y600 HydrophobicContact CD1-CG 4.4Å; Y411-Y600 HydrophobicContact CD2-CD2 4.25Å; Y411-Y600 AromaticContact CD2-CE2 3.83Å; Y411-Y600 HydrophobicContact CD2-CE2 3.83Å; Y411-Y600 HydrophobicContact CE1-CD2 4.09Å; Y411-Y600 AromaticContact CG-CD2 3.66Å; Y411-Y600 HydrophobicContact CG-CD2 3.66Å; Y411-Y600 AromaticContact CG-CE2 3.41Å; Y411-Y600 HydrophobicContact CG-CE2 3.41Å; Y411-Y600 VanDerWaalsContact CG-CE2 3.41Å; Y411-F628 AromaticContact CD1-CD2 3.62Å; Y411-F628 HydrophobicContact CD1-CD2 3.62Å; Y411-F628 AromaticContact CD1-CE2 3.55Å; Y411-F628 HydrophobicContact CD1-CE2 3.55Å; Y411-F628 HydrophobicContact CD1-CG 4.32Å; Y411-F628 HydrophobicContact CD1-CZ 4.2Å; Y411-F628 HydrophobicContact CE1-CD1 4.04Å; Y411-F628 AromaticContact CE1-CD2 3.56Å; Y411-F628 HydrophobicContact CE1-CD2 3.56Å; Y411-F628 AromaticContact CE1-CE1 3.97Å; Y411-F628 HydrophobicContact CE1-CE1 3.97Å; Y411-F628 AromaticContact CE1-CE2 3.49Å; Y411-F628 HydrophobicContact CE1-CE2 3.49Å; Y411-F628 VanDerWaalsContact CE1-CE2 3.49Å; Y411-F628 AromaticContact CE1-CG 3.85Å; Y411-F628 HydrophobicContact CE1-CG 3.85Å; Y411-F628 AromaticContact CE1-CZ 3.7Å; Y411-F628 HydrophobicContact CE1-CZ 3.7Å; Y411-G629 VanDerWaalsContact CZ-CA 3.44Å; Y411-S631 PolarHBondContact N-O 3.44Å; Y411-F632 AromaticContact CD2-CD1 3.73Å; Y411-F632 HydrophobicContact CD2-CD1 3.73Å; Y411-F632 AromaticContact CD2-CE1 3.64Å; Y411-F632 HydrophobicContact CD2-CE1 3.64Å; Y411-F632 HydrophobicContact CD2-CG 4.23Å; Y411-F632 HydrophobicContact CD2-CZ 4.06Å; Y411-F632 HydrophobicContact CE2-CD1 4.21Å; Y411-F632 AromaticContact CE2-CE1 3.67Å; Y411-F632 HydrophobicContact CE2-CE1 3.67Å; Y411-F632 HydrophobicContact CE2-CE2 4.24Å; Y411-F632 AromaticContact CE2-CZ 3.68Å; Y411-F632 HydrophobicContact CE2-CZ 3.68Å; Y411-N654 WeakPolarHBondContact CE2-OD1 3.33Å; Y411-N654 PolarHBondContact OH-OD1 2.85Å; Y411-I657 HydrophobicContact CE1-CG2 3.91Å; Y411-I657 HydrophobicContact CE2-CD1 4.05Å; Y411-I657 WeakPolarHBondContact OH-CG2 3.41Å; Y411-Y658 WeakPolarHBondContact OH-CE1 3.44Å
412P94.5Very high95.4Very high12 Ų1214.6 Ų14.68%0.0787%0.07CC..SBendcis-76.4-143.9-7.935.5-37.2000110.5V414 Y600 G608 T609 V611P412-V414 PolarHBondContact O-N 2.99Å; P412-Y600 HydrophobicContact CB-CD1 3.95Å; P412-Y600 HydrophobicContact CB-CE1 4.12Å; P412-Y600 HydrophobicContact CB-CG 4.43Å; P412-G608 WeakPolarHBondContact CB-O 3.38Å; P412-T609 WeakPolarHBondContact CG-O 3.37Å; P412-V611 HydrophobicContact CG-CG1 4.21Å; P412-V611 HydrophobicContact CG-CG2 4.44Å
413V97.1Very high95.5Very high0 Ų09.9 Ų9.90%05%0.048CC..EExtended strand (participates in β ladder)trans-62.4127.3-179.9-174.90000110.9V593 L596 P610 V611 V626 F628V413-V593 HydrophobicContact CB-CG1 4.31Å; V413-V593 HydrophobicContact CG1-CG1 3.95Å; V413-V593 HydrophobicContact CG1-CG2 4.45Å; V413-L596 HydrophobicContact CG2-CB 3.49Å; V413-L596 VanDerWaalsContact CG2-CB 3.49Å; V413-P610 CarbonylContact O-C 3.57Å; V413-P610 VanDerWaalsContact O-CA 3.29Å; V413-P610 WeakPolarHBondContact O-CA 3.46Å; V413-V611 PolarHBondContact O-N 2.94Å; V413-V626 HydrophobicContact CG1-CB 3.99Å; V413-V626 HydrophobicContact CG1-CG2 3.67Å; V413-F628 HydrophobicContact CB-CD2 4.37Å; V413-F628 HydrophobicContact CG2-CD2 3.63Å; V413-F628 HydrophobicContact CG2-CE2 3.8Å; V413-F628 HydrophobicContact CG2-CG 4.49Å
414V96Very high95.5Very high2 Ų211.2 Ų11.21%0.0125%0.054CC..EExtended strand (participates in β ladder)trans-95.299.5173.5-178.20000109C409 K410 P412 V611 T613 A627C409-V414 HydrophobicContact CB-CG2 4.42Å; K410-V414 HydrophobicContact CG-CG2 3.94Å; P412-V414 PolarHBondContact O-N 2.99Å; V414-V611 CarbonylContact C-O 3.58Å; V414-V611 WeakPolarHBondContact CA-O 3.07Å; V414-V611 HydrophobicContact CG2-CG2 4.11Å; V414-T613 HydrophobicContact CG1-CG2 3.53Å; V414-A627 HydrophobicContact CB-CB 3.67Å; V414-A627 HydrophobicContact CG1-CB 4.27Å; V414-A627 HydrophobicContact CG2-CB 4.21Å; V414-A627 PolarHBondContact N-O 2.98Å; V414-A627 PolarHBondContact O-N 3.06Å; V414-A627 VanDerWaalsContact O-N 3.16Å
415Y94.6Very high95.6Very high11 Ų1111.3 Ų11.34%0.0435%0.054CC..EExtended strand (participates in β ladder)trans-88.5-7.8-176.769.6-84.7000113.5D526 Y585 F586 K588 P610 V611 T612Y415-D526 HydrophobicContact CE2-CB 4.21Å; Y415-D526 VanDerWaalsContact OH-CB 3.24Å; Y415-D526 WeakPolarHBondContact OH-CB 3.39Å; Y415-D526 VanDerWaalsContact OH-CG 3.26Å; Y415-D526 PolarHBondContact OH-OD1 3.17Å; Y415-Y585 HydrophobicContact CD2-CD2 4.27Å; Y415-Y585 AromaticContact CD2-CE2 3.99Å; Y415-Y585 HydrophobicContact CD2-CE2 3.99Å; Y415-Y585 HydrophobicContact CE2-CD2 4.27Å; Y415-Y585 AromaticContact CE2-CE2 3.76Å; Y415-Y585 HydrophobicContact CE2-CE2 3.76Å; Y415-Y585 CarbonylContact O-C 3.55Å; Y415-F586 WeakPolarHBondContact CD2-O 3.38Å; Y415-F586 PolarHBondContact O-N 2.73Å; Y415-K588 HydrophobicContact CD1-CB 4.09Å; Y415-K588 HydrophobicContact CD2-CB 3.86Å; Y415-K588 HydrophobicContact CE1-CB 4.25Å; Y415-K588 HydrophobicContact CE1-CD 4.43Å; Y415-K588 HydrophobicContact CE2-CB 4.01Å; Y415-K588 HydrophobicContact CE2-CD 4.1Å; Y415-K588 HydrophobicContact CE2-CG 4.49Å; Y415-K588 HydrophobicContact CG-CB 3.88Å; Y415-P610 HydrophobicContact CD1-CB 3.49Å; Y415-P610 VanDerWaalsContact CD1-CB 3.49Å; Y415-P610 HydrophobicContact CE1-CB 3.97Å; Y415-P610 WeakPolarHBondContact CE1-O 3.36Å; Y415-P610 HydrophobicContact CG-CB 4.39Å; Y415-V611 WeakPolarHBondContact CD1-O 3.39Å; Y415-V611 VanDerWaalsContact CE1-C 3.42Å; Y415-V611 WeakPolarHBondContact CE1-O 3.28Å; Y415-V611 PolarHBondContact N-O 3.4Å; Y415-T612 HydrophobicContact CD1-CG2 4.48Å; Y415-T612 HydrophobicContact CE1-CG2 3.9Å; Y415-T612 HydrophobicContact CE2-CG2 3.95Å
416G93.4Very high95.5Very high1 Ų112.3 Ų12.31%0.016%0.06CC..EExtended strand (participates in β ladder)trans-154.1143.8-178.600000113.5S584 T612 T613G416-S584 CarbonylContact C-O 3.52Å; G416-S584 WeakPolarHBondContact CA-O 3.24Å; G416-T612 CarbonylContact O-C 3.52Å; G416-T612 WeakPolarHBondContact O-CA 3.4Å; G416-T612 WeakPolarHBondContact O-CB 3.42Å; G416-T613 PolarHBondContact O-N 3.12Å
417E91.9Very high95.5Very high2 Ų212.5 Ų12.51%0.0096%0.061CC..EExtended strand (participates in β ladder)trans-126.8125.8178.2-44.9-166.6176.200110.2S583 S584 T613 A616 T617 R620E417-S583 WeakPolarHBondContact O-CA 3.49Å; E417-S584 PolarHBondContact N-O 2.91Å; E417-S584 PolarHBondContact O-N 2.81Å; E417-T613 WeakPolarHBondContact CA-O 3.39Å; E417-T613 HydrophobicContact CB-CG2 4.2Å; E417-T613 HydrophobicContact CG-CG2 3.82Å; E417-A616 VanDerWaalsContact OE2-CA 3.26Å; E417-A616 WeakPolarHBondContact OE2-CA 3.32Å; E417-T617 WeakPolarHBondContact OE1-CB 3.35Å; E417-T617 WeakPolarHBondContact OE1-CG2 3.3Å; E417-T617 PolarHBondContact OE1-OG1 3.35Å; E417-T617 PolarHBondContact OE2-N 3.29Å; E417-R620 HydrophobicContact CB-CG 4.5Å; E417-R620 VanDerWaalsContact CB-NH2 3.27Å; E417-R620 WeakPolarHBondContact OE2-CD 3.37Å; E417-R620 WeakPolarHBondContact OE2-CG 3.42Å; E417-R620 IonicContact OE2-CZ 2.7Å; E417-R620 IonicContact OE2-NE 3.32Å; E417-R620 PolarHBondContact OE2-NE 2.73Å; E417-R620 IonicContact OE2-NH2 3.85Å
418R93.5Very high95.5Very high33 Ų3315.2 Ų15.213%0.1258%0.078CC..  trans-57.5143-177.1-68.7-165.7-167.6-176.64.3112.1S527 K529 Y552 T613 R620R418-S527 PolarHBondContact NE-O 2.77Å; R418-S527 PolarHBondContact NH2-O 2.85Å; R418-K529 PolarHBondContact NH1-O 3.11Å; R418-Y552 WeakPolarHBondContact CA-O 3.16Å; R418-Y552 VanDerWaalsContact CB-O 3.28Å; R418-Y552 WeakPolarHBondContact CB-O 3.46Å; R418-T613 PolarHBondContact N-O 3.37Å; R418-R620 PolarHBondContact O-NH1 2.94Å; R418-R620 PolarHBondContact O-NH2 3.45Å
419G94.4Very high95.5Very high0 Ų015 Ų150%08%0.076CC..EExtended strand (participates in β ladder)trans-69.7148.5174.900000111.2R551 Y552G419-R551 CarbonylContact O-C 3.55Å; G419-R551 VanDerWaalsContact O-CA 3.24Å; G419-R551 WeakPolarHBondContact O-CA 3.3Å; G419-Y552 PolarHBondContact N-O 3.12Å; G419-Y552 WeakPolarHBondContact O-CD1 3.43Å; G419-Y552 PolarHBondContact O-N 3.42Å
420I93.8Very high95.5Very high15 Ų1517 Ų178%0.0779%0.089CC..EExtended strand (participates in β ladder)trans-123.4127.7-177.8-53-175.1000108.5I550 R551 R580 I581I420-I550 WeakPolarHBondContact CA-O 3.37Å; I420-R551 HydrophobicContact CG1-CG 4.27Å; I420-R580 CarbonylContact O-C 3.56Å; I420-R580 WeakPolarHBondContact O-CA 3.2Å; I420-I581 HydrophobicContact CB-CB 4.15Å; I420-I581 HydrophobicContact CB-CG1 4.48Å; I420-I581 HydrophobicContact CD1-CD1 4.36Å; I420-I581 PolarHBondContact N-O 2.8Å; I420-I581 PolarHBondContact O-N 2.96Å
421V95.6Very high95.3Very high0 Ų019.5 Ų19.50%010%0.101CC..EExtended strand (participates in β ladder)trans-139.6127169.461.40000109.4Y423 I550 Y552 E558 V561 V577 R579V421-Y423 HydrophobicContact CB-CE2 4.15Å; V421-Y423 HydrophobicContact CG1-CD2 4.39Å; V421-Y423 HydrophobicContact CG1-CE2 3.46Å; V421-Y423 VanDerWaalsContact CG1-CE2 3.46Å; V421-Y423 HydrophobicContact CG2-CD1 4.32Å; V421-Y423 HydrophobicContact CG2-CD2 4.26Å; V421-Y423 HydrophobicContact CG2-CE1 3.73Å; V421-Y423 HydrophobicContact CG2-CE2 3.65Å; V421-Y423 WeakPolarHBondContact CG2-OH 3.5Å; V421-I550 HydrophobicContact CG1-CB 4.07Å; V421-I550 HydrophobicContact CG1-CG2 4.32Å; V421-I550 PolarHBondContact N-O 3.43Å; V421-I550 WeakPolarHBondContact O-CA 3.1Å; V421-I550 WeakPolarHBondContact O-CB 3.16Å; V421-I550 PolarHBondContact O-N 2.67Å; V421-Y552 HydrophobicContact CB-CE1 4.31Å; V421-Y552 HydrophobicContact CG1-CD1 4.03Å; V421-Y552 HydrophobicContact CG1-CE1 3.95Å; V421-E558 HydrophobicContact CB-CG 4.33Å; V421-E558 HydrophobicContact CG2-CG 4.13Å; V421-V561 HydrophobicContact CG1-CG1 4.06Å; V421-V577 HydrophobicContact CG2-CG1 4.04Å; V421-R579 CarbonylContact C-O 3.59Å; V421-R579 WeakPolarHBondContact CA-O 3.42Å
422N96.7Very high95.1Very high5 Ų525.6 Ų25.63%0.02713%0.13CC..EExtended strand (participates in β ladder)trans-107.8131.3173.9-67.823.2000108.2R446 V548 V578 R579N422-R446 PolarHBondContact ND2-NH2 3.32Å; N422-V548 CarbonylContact C-O 3.59Å; N422-V548 WeakPolarHBondContact CA-O 3.36Å; N422-V578 HydrophobicContact CB-CB 4.35Å; N422-V578 PolarHBondContact O-N 2.84Å; N422-R579 HydrophobicContact CB-CB 4.18Å; N422-R579 PolarHBondContact N-O 3.37Å; N422-R579 PolarHBondContact O-N 2.95Å
423Y98.2Very high94.9Very high0 Ų027.5 Ų27.50%014%0.138CC..EExtended strand (participates in β ladder)trans-113.3151.5176.4-58.8-81.1000110.8V421 S547 V548 I550 V561 T562 L565 L575 T576 V577V421-Y423 HydrophobicContact CB-CE2 4.15Å; V421-Y423 HydrophobicContact CG1-CD2 4.39Å; V421-Y423 HydrophobicContact CG1-CE2 3.46Å; V421-Y423 VanDerWaalsContact CG1-CE2 3.46Å; V421-Y423 HydrophobicContact CG2-CD1 4.32Å; V421-Y423 HydrophobicContact CG2-CD2 4.26Å; V421-Y423 HydrophobicContact CG2-CE1 3.73Å; V421-Y423 HydrophobicContact CG2-CE2 3.65Å; V421-Y423 WeakPolarHBondContact CG2-OH 3.5Å; Y423-S547 CarbonylContact O-C 3.57Å; Y423-S547 VanDerWaalsContact O-CA 3.25Å; Y423-S547 WeakPolarHBondContact O-CA 3.35Å; Y423-V548 HydrophobicContact CD2-CG2 4.23Å; Y423-V548 PolarHBondContact N-O 3.14Å; Y423-V548 PolarHBondContact O-N 2.71Å; Y423-I550 HydrophobicContact CD2-CD1 4.06Å; Y423-I550 HydrophobicContact CE2-CD1 3.96Å; Y423-V561 HydrophobicContact CE2-CG1 4.2Å; Y423-T562 HydrophobicContact CE1-CG2 4.49Å; Y423-T562 PolarHBondContact OH-OG1 2.9Å; Y423-L565 HydrophobicContact CD2-CD2 3.57Å; Y423-L565 HydrophobicContact CE2-CD2 3.79Å; Y423-L565 HydrophobicContact CG-CD2 4.02Å; Y423-L575 HydrophobicContact CD1-CD1 3.76Å; Y423-L575 HydrophobicContact CD1-CD2 3.78Å; Y423-L575 HydrophobicContact CD1-CG 3.64Å; Y423-L575 HydrophobicContact CE1-CD2 3.86Å; Y423-L575 HydrophobicContact CE1-CG 4.22Å; Y423-L575 HydrophobicContact CG-CD1 3.76Å; Y423-L575 HydrophobicContact CG-CD2 4.42Å; Y423-L575 HydrophobicContact CG-CG 4.18Å; Y423-T576 CarbonylContact C-O 3.56Å; Y423-T576 VanDerWaalsContact CA-O 3.24Å; Y423-T576 WeakPolarHBondContact CA-O 3.43Å; Y423-V577 HydrophobicContact CD1-CG2 3.9Å; Y423-V577 HydrophobicContact CE1-CG2 3.64Å
424E98.2Very high94.7Very high33 Ų3327.7 Ų27.715%0.15414%0.139CC..EExtended strand (participates in β ladder)trans-108.4125.9157.8-176.9178.78700107.2L426 K540 A545 T576 V578E424-L426 HydrophobicContact CG-CD2 4.13Å; E424-L426 HydrophobicContact CG-CG 4.25Å; E424-L426 WeakPolarHBondContact OE1-CD2 3.24Å; E424-K540 IonicContact OE1-NZ 3.16Å; E424-K540 PolarHBondContact OE1-NZ 3.43Å; E424-K540 IonicContact OE2-NZ 2.68Å; E424-K540 PolarHBondContact OE2-NZ 3.02Å; E424-A545 HydrophobicContact CG-CB 4.14Å; E424-T576 PolarHBondContact N-O 2.78Å; E424-T576 PolarHBondContact O-N 2.94Å; E424-V578 HydrophobicContact CB-CG2 3.68Å
425I98.2Very high94.5Very high1 Ų134.2 Ų34.21%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-105.1110.2176.8-60.4162000106.9W504 A545 L546 V548 L569 Q574 L575I425-W504 HydrophobicContact CD1-CH2 4.23Å; I425-A545 WeakPolarHBondContact O-CA 3.36Å; I425-L546 HydrophobicContact CB-CB 4.41Å; I425-L546 HydrophobicContact CD1-CD2 4.24Å; I425-L546 PolarHBondContact N-O 2.62Å; I425-L546 PolarHBondContact O-N 2.76Å; I425-V548 HydrophobicContact CD1-CG2 4.37Å; I425-L569 HydrophobicContact CD1-CD2 3.75Å; I425-L569 HydrophobicContact CG1-CD2 4.01Å; I425-L569 HydrophobicContact CG2-CD2 4.01Å; I425-Q574 WeakPolarHBondContact CA-O 3.45Å; I425-L575 HydrophobicContact CD1-CD1 4.37Å; I425-L575 HydrophobicContact CG1-CD1 3.51Å
426L97.7Very high94.3Very high21 Ų2137.2 Ų37.211%0.1118%0.184CC..EExtended strand (participates in β ladder)trans-98.6111.5177.7-66174.7000109.4E424 K540 L544 A545 S573 Q574E424-L426 HydrophobicContact CG-CD2 4.13Å; E424-L426 HydrophobicContact CG-CG 4.25Å; E424-L426 WeakPolarHBondContact OE1-CD2 3.24Å; L426-K540 HydrophobicContact CD2-CD 4.15Å; L426-L544 WeakPolarHBondContact CA-O 3.47Å; L426-A545 HydrophobicContact CD2-CB 3.49Å; L426-A545 VanDerWaalsContact CD2-CB 3.49Å; L426-S573 CarbonylContact O-C 3.6Å; L426-S573 VanDerWaalsContact O-CA 3.25Å; L426-S573 WeakPolarHBondContact O-CA 3.3Å; L426-Q574 HydrophobicContact CB-CB 4.44Å; L426-Q574 PolarHBondContact N-O 3.38Å; L426-Q574 PolarHBondContact O-N 3.02Å
427T98Very high94.4Very high4 Ų437.3 Ų37.33%0.02518%0.184CC..EExtended strand (participates in β ladder)trans-107.9130.4176.7-53.70000109.6F429 Y501 Q543 L544 P570 S573T427-F429 HydrophobicContact CG2-CE1 4.23Å; T427-F429 HydrophobicContact CG2-CE2 3.76Å; T427-F429 HydrophobicContact CG2-CZ 3.55Å; T427-F429 WeakPolarHBondContact O-CD2 3.48Å; T427-F429 VanDerWaalsContact O-CE2 3.22Å; T427-F429 WeakPolarHBondContact O-CE2 3.24Å; T427-Y501 HydrophobicContact CG2-CD2 4Å; T427-Y501 HydrophobicContact CG2-CE2 4.23Å; T427-Y501 WeakPolarHBondContact OG1-CE2 3.36Å; T427-Q543 CarbonylContact O-C 3.5Å; T427-Q543 WeakPolarHBondContact O-CA 3.24Å; T427-Q543 WeakPolarHBondContact O-CB 3.28Å; T427-L544 PolarHBondContact N-O 2.94Å; T427-L544 PolarHBondContact O-N 3.02Å; T427-P570 HydrophobicContact CG2-CB 4.13Å; T427-S573 PolarHBondContact OG1-OG 3.1Å
428T96.8Very high94.6Very high58 Ų5838.3 Ų38.336%0.35620%0.196SC..EExtended strand (participates in β ladder)trans-94.6137.9-177.8-50.90000111Q543T428-Q543 HydrophobicContact CG2-CG 4.38Å; T428-Q543 PolarHBondContact OG1-NE2 2.95Å
429F95.1Very high94.7Very high9 Ų941.9 Ų41.94%0.03922%0.217CC..  trans-127.2156.2-179.3-60.3-90.5000111.4T427 Q431 L434 L498 Y501 Q542 L544T427-F429 HydrophobicContact CG2-CE1 4.23Å; T427-F429 HydrophobicContact CG2-CE2 3.76Å; T427-F429 HydrophobicContact CG2-CZ 3.55Å; T427-F429 WeakPolarHBondContact O-CD2 3.48Å; T427-F429 VanDerWaalsContact O-CE2 3.22Å; T427-F429 WeakPolarHBondContact O-CE2 3.24Å; F429-Q431 PolarHBondContact O-N 2.78Å; F429-L434 HydrophobicContact CB-CD1 3.72Å; F429-L434 HydrophobicContact CB-CD2 4.47Å; F429-L434 HydrophobicContact CB-CG 3.78Å; F429-L434 HydrophobicContact CD2-CD1 4.01Å; F429-L434 HydrophobicContact CD2-CD2 4.31Å; F429-L434 HydrophobicContact CD2-CG 4.36Å; F429-L434 HydrophobicContact CG-CD1 4.25Å; F429-L434 HydrophobicContact CG-CD2 4.47Å; F429-L434 HydrophobicContact CG-CG 4.27Å; F429-L498 HydrophobicContact CD1-CB 4.25Å; F429-L498 HydrophobicContact CD1-CD1 4.29Å; F429-L498 HydrophobicContact CE1-CB 4.4Å; F429-L498 HydrophobicContact CE1-CD1 4.06Å; F429-L498 HydrophobicContact CZ-CD1 4.28Å; F429-Y501 HydrophobicContact CE1-CD2 4.45Å; F429-Y501 HydrophobicContact CE1-CG 4.08Å; F429-Y501 HydrophobicContact CZ-CD1 4.01Å; F429-Y501 AromaticContact CZ-CD2 3.67Å; F429-Y501 HydrophobicContact CZ-CD2 3.67Å; F429-Y501 HydrophobicContact CZ-CE2 4.27Å; F429-Y501 AromaticContact CZ-CG 3.51Å; F429-Y501 HydrophobicContact CZ-CG 3.51Å; F429-Q542 PolarHBondContact N-O 3.3Å; F429-L544 HydrophobicContact CD2-CG 4.12Å; F429-L544 HydrophobicContact CE2-CB 3.81Å; F429-L544 HydrophobicContact CE2-CD1 3.86Å; F429-L544 HydrophobicContact CE2-CG 3.61Å; F429-L544 HydrophobicContact CZ-CD1 4.14Å; F429-L544 HydrophobicContact CZ-CG 4.37Å
430P92.9Very high94.9Very high67 Ų6742.7 Ų42.744%0.43522%0.22SC..  trans-56136.2168.3-22.233.5000111.3E432 E433 L434 T497P430-E432 PolarHBondContact O-N 3.24Å; P430-E432 VanDerWaalsContact O-N 3.11Å; P430-E433 HydrophobicContact CB-CG 4.41Å; P430-E433 HydrophobicContact CG-CG 4.5Å; P430-E433 PolarHBondContact O-N 3.1Å; P430-L434 PolarHBondContact O-N 3.32Å; P430-T497 WeakPolarHBondContact CD-OG1 3.35Å
431Q90Very high95.1Very high128 Ų12847 Ų4760%0.59824%0.243SC*.Hα-helixtrans-53.3-37.3-177.1-170.1177.9-000113.2F429 E433 L434 K435F429-Q431 PolarHBondContact O-N 2.78Å; Q431-E433 PolarHBondContact O-N 2.84Å; Q431-L434 PolarHBondContact O-N 3.01Å; Q431-K435 PolarHBondContact O-N 3.34Å
432E90.9Very high95.1Very high135 Ų13548.9 Ų48.963%0.63126%0.262SS*.Hα-helixtrans-66.8-32179.7-61.3-57.8147.200113.1P430P430-E432 PolarHBondContact O-N 3.24Å; P430-E432 VanDerWaalsContact O-N 3.11Å
433E90.7Very high95.1Very high53 Ų5352.6 Ų52.625%0.24828%0.282CS..Hα-helixtrans-73.5-31.4178.1-68.8-172.5-163.600112P430 Q431 T497 L498P430-E433 HydrophobicContact CB-CG 4.41Å; P430-E433 HydrophobicContact CG-CG 4.5Å; P430-E433 PolarHBondContact O-N 3.1Å; Q431-E433 PolarHBondContact O-N 2.84Å; E433-T497 PolarHBondContact OE1-N 3.49Å; E433-T497 PolarHBondContact OE1-OG1 2.73Å; E433-T497 PolarHBondContact OE2-N 3.11Å; E433-T497 PolarHBondContact OE2-OG1 3.33Å; E433-L498 HydrophobicContact CB-CB 4.39Å; E433-L498 WeakPolarHBondContact O-CD2 3.39Å; E433-L498 WeakPolarHBondContact OE2-CB 3.38Å; E433-L498 PolarHBondContact OE2-N 2.95Å
434L92.4Very high95.1Very high3 Ų353.8 Ų53.82%0.01629%0.287CS..Hα-helixtrans-90-14.3179.1-75178.2000114F429 P430 Q431 D436 L437 L498 K539 Q542 L544F429-L434 HydrophobicContact CB-CD1 3.72Å; F429-L434 HydrophobicContact CB-CD2 4.47Å; F429-L434 HydrophobicContact CB-CG 3.78Å; F429-L434 HydrophobicContact CD2-CD1 4.01Å; F429-L434 HydrophobicContact CD2-CD2 4.31Å; F429-L434 HydrophobicContact CD2-CG 4.36Å; F429-L434 HydrophobicContact CG-CD1 4.25Å; F429-L434 HydrophobicContact CG-CD2 4.47Å; F429-L434 HydrophobicContact CG-CG 4.27Å; P430-L434 PolarHBondContact O-N 3.32Å; Q431-L434 PolarHBondContact O-N 3.01Å; L434-D436 VanDerWaalsContact C-N 3.26Å; L434-D436 PolarHBondContact O-N 3.21Å; L434-L437 HydrophobicContact CD2-CB 4.49Å; L434-L437 HydrophobicContact CD2-CD2 3.61Å; L434-L437 PolarHBondContact O-N 3.08Å; L434-L498 HydrophobicContact CD2-CD1 4.32Å; L434-L498 HydrophobicContact CD2-CD2 4.43Å; L434-K539 WeakPolarHBondContact O-CE 3.34Å; L434-K539 PolarHBondContact O-NZ 2.74Å; L434-Q542 WeakPolarHBondContact CD1-O 3.2Å; L434-L544 HydrophobicContact CD2-CD2 3.98Å; L434-L544 HydrophobicContact CD2-CG 4.15Å
435K91.2Very high94.8Very high140 Ų14053.7 Ų53.761%0.60929%0.292SS*.THydrogen-bonded Turntrans-55.2-41.8-174.7-179.8-179.2175.2-1760112.8Q431Q431-K435 PolarHBondContact O-N 3.34Å
436D90.8Very high94.5Very high73 Ų7358 Ų5839%0.3931%0.309SS..THydrogen-bonded Turntrans-95.4-0.9-175.9-67-40.7000113.8L434 I457 H458L434-D436 VanDerWaalsContact C-N 3.26Å; L434-D436 PolarHBondContact O-N 3.21Å; D436-I457 WeakPolarHBondContact O-CA 3.39Å; D436-H458 WeakPolarHBondContact CB-CE1 3.35Å; D436-H458 WeakPolarHBondContact CB-ND1 3.4Å; D436-H458 PolarHBondContact O-N 2.98Å; D436-H458 VanDerWaalsContact O-N 3.08Å; D436-H458 IonicContact OD2-CE1 2.97Å; D436-H458 PolarHBondContact OD2-CE1 3.12Å; D436-H458 IonicContact OD2-ND1 3.77Å; D436-H458 PolarHBondContact OD2-ND1 3.4Å
437L95.3Very high93.9Very high3 Ų361.9 Ų61.92%0.01633%0.329CS..BIsolated β-bridgetrans-86.4116.5173.3-174.973.4000109.5L434 F440 V455 I457 L498 K539 L544L434-L437 HydrophobicContact CD2-CB 4.49Å; L434-L437 HydrophobicContact CD2-CD2 3.61Å; L434-L437 PolarHBondContact O-N 3.08Å; L437-F440 HydrophobicContact CD1-CZ 4.43Å; L437-F440 HydrophobicContact CD2-CE2 4.26Å; L437-F440 HydrophobicContact CD2-CZ 4.19Å; L437-V455 HydrophobicContact CD1-CG2 3.73Å; L437-V455 HydrophobicContact CG-CG2 4.3Å; L437-I457 HydrophobicContact CD1-CD1 3.67Å; L437-I457 HydrophobicContact CD1-CG1 3.88Å; L437-L498 HydrophobicContact CD2-CD2 4.38Å; L437-K539 WeakPolarHBondContact O-CD 3.39Å; L437-K539 PolarHBondContact O-NZ 3.42Å; L437-L544 HydrophobicContact CD2-CD1 4.36Å; L437-L544 HydrophobicContact CD2-CD2 3.87Å
438G96Very high93.6Very high24 Ų2462.4 Ų62.425%0.24733%0.331CS..  trans-74.2-175.3173.200000112.9V455 T456G438-V455 WeakPolarHBondContact O-CG2 3.15Å; G438-T456 WeakPolarHBondContact CA-O 3.29Å; G438-T456 PolarHBondContact N-O 3.43Å
439D97Very high93.6Very high107 Ų10759.7 Ų59.757%0.57232%0.315SS*.  trans-74.3149.1173.7-60.1-45.2000111.2
440F97.9Very high93.7Very high17 Ų1759.2 Ų59.28%0.07531%0.313CS..  trans-79.4122.6171.1-62.1-85.8000109L437 S454 V455 L484 F502 L537 L544L437-F440 HydrophobicContact CD1-CZ 4.43Å; L437-F440 HydrophobicContact CD2-CE2 4.26Å; L437-F440 HydrophobicContact CD2-CZ 4.19Å; F440-S454 CarbonylContact C-O 3.49Å; F440-S454 WeakPolarHBondContact CA-O 3.5Å; F440-V455 HydrophobicContact CD1-CB 3.95Å; F440-V455 HydrophobicContact CD1-CG2 4.21Å; F440-V455 HydrophobicContact CE1-CB 4.09Å; F440-V455 HydrophobicContact CE1-CG1 4.32Å; F440-V455 HydrophobicContact CE1-CG2 4.14Å; F440-L484 HydrophobicContact CD1-CD2 3.63Å; F440-L484 HydrophobicContact CE1-CD2 3.83Å; F440-F502 HydrophobicContact CZ-CE1 4.42Å; F440-F502 HydrophobicContact CZ-CZ 4.18Å; F440-L537 VanDerWaalsContact CB-O 3.3Å; F440-L537 WeakPolarHBondContact CB-O 3.49Å; F440-L537 HydrophobicContact CD1-CD2 4.02Å; F440-L537 HydrophobicContact CD1-CG 4.4Å; F440-L537 HydrophobicContact CD2-CD2 4.36Å; F440-L537 HydrophobicContact CD2-CG 3.99Å; F440-L537 HydrophobicContact CE1-CD2 3.59Å; F440-L537 HydrophobicContact CE1-CG 4.27Å; F440-L537 HydrophobicContact CE2-CD2 3.98Å; F440-L537 HydrophobicContact CE2-CG 3.86Å; F440-L537 HydrophobicContact CG-CD2 4.39Å; F440-L537 HydrophobicContact CG-CG 4.27Å; F440-L537 HydrophobicContact CZ-CD2 3.57Å; F440-L537 HydrophobicContact CZ-CG 4Å; F440-L544 HydrophobicContact CE2-CD2 3.98Å
441I97.7Very high93.9Very high107 Ų10757.5 Ų57.555%0.54930%0.3SS..BIsolated β-bridgetrans-115.8124.4-174.8-55.4174000109.3L453 S454I441-L453 CarbonylContact O-C 3.59Å; I441-L453 WeakPolarHBondContact O-CA 3.24Å; I441-S454 PolarHBondContact N-O 3.38Å; I441-S454 PolarHBondContact O-N 2.78Å; I441-S454 PolarHBondContact O-OG 2.88Å
442G96.7Very high94.3Very high39 Ų3953.1 Ų53.140%0.40229%0.286SS..SBendtrans161.1174.3172.300000111.3Q444 A452G442-Q444 PolarHBondContact O-N 3.23Å; G442-A452 WeakPolarHBondContact CA-O 3.47Å
443D95.5Very high94.6Very high82 Ų8246.9 Ų46.944%0.43926%0.257SS..  trans-75.2116.6175.7-175.623.4000109.5H448 R468D443-H448 IonicContact OD1-CE1 2.62Å; D443-H448 IonicContact OD1-NE2 3.93Å; D443-H448 IonicContact OD2-CE1 3.58Å; D443-H448 PolarHBondContact OD2-CE1 3.01Å; D443-H448 IonicContact OD2-NE2 2.68Å; D443-H448 PolarHBondContact OD2-NE2 3.4Å; D443-R468 IonicContact OD2-CZ 3.45Å; D443-R468 IonicContact OD2-NH1 3.86Å; D443-R468 PolarHBondContact OD2-NH1 2.84Å; D443-R468 IonicContact OD2-NH2 3.61Å; D443-R468 PolarHBondContact OD2-NH2 2.99Å
444Q97.5Very high95Very high26 Ų2645.5 Ų45.512%0.12125%0.252CS..  trans-133.6109.9-175.8-67-171.39900107.9G442 P450 L453 Y535 E536 L537G442-Q444 PolarHBondContact O-N 3.23Å; Q444-P450 HydrophobicContact CG-CB 4.34Å; Q444-L453 HydrophobicContact CG-CD2 3.6Å; Q444-Y535 WeakPolarHBondContact CB-O 3.21Å; Q444-E536 HydrophobicContact CB-CB 4.16Å; Q444-E536 HydrophobicContact CB-CG 4.14Å; Q444-L537 PolarHBondContact NE2-O 2.96Å
445A92.7Very high95.3Very high31 Ų3145.3 Ų45.326%0.25625%0.252SS..  trans-148.2154.9177.400000112.1D447 H448A445-D447 WeakPolarHBondContact CB-OD1 3.48Å; A445-D447 PolarHBondContact O-N 3.47Å; A445-D447 VanDerWaalsContact O-N 3.11Å; A445-H448 PolarHBondContact O-N 2.73Å
446R91.2Very high95.6Very high92 Ų9241.2 Ų41.235%0.34724%0.238SC..THydrogen-bonded Turntrans-63.5-18-17270.5-169-43.8160.317115.8N422 S471 Y535 R579N422-R446 PolarHBondContact ND2-NH2 3.32Å; R446-S471 VanDerWaalsContact O-CB 3.32Å; R446-S471 WeakPolarHBondContact O-CB 3.49Å; R446-S471 PolarHBondContact O-OG 3.06Å; R446-Y535 HydrophobicContact CB-CD2 4.09Å; R446-Y535 HydrophobicContact CB-CE1 4.47Å; R446-Y535 HydrophobicContact CB-CE2 3.97Å; R446-Y535 HydrophobicContact CB-CG 4.39Å; R446-R579 VanDerWaalsContact NH2-CB 3.26Å
447D85.8Confident95.9Very high102 Ų10238 Ų3855%0.54522%0.221SC..THydrogen-bonded Turntrans-88.5-16.1-175.161.2-16.7000112.7A445 S471A445-D447 WeakPolarHBondContact CB-OD1 3.48Å; A445-D447 PolarHBondContact O-N 3.47Å; A445-D447 VanDerWaalsContact O-N 3.11Å; D447-S471 PolarHBondContact O-N 3.13Å
448H91Very high95.8Very high14 Ų1443.8 Ų43.87%0.06525%0.248CC..BIsolated β-bridgetrans-138.2160.5-178.465.2-89.2000114D443 A445 R468 A469D443-H448 IonicContact OD1-CE1 2.62Å; D443-H448 IonicContact OD1-NE2 3.93Å; D443-H448 IonicContact OD2-CE1 3.58Å; D443-H448 PolarHBondContact OD2-CE1 3.01Å; D443-H448 IonicContact OD2-NE2 2.68Å; D443-H448 PolarHBondContact OD2-NE2 3.4Å; A445-H448 PolarHBondContact O-N 2.73Å; H448-R468 HydrophobicContact CB-CG 4.09Å; H448-R468 VanDerWaalsContact CD2-CZ 3.43Å; H448-R468 PolarHBondContact CE1-NH1 2.89Å; H448-R468 VanDerWaalsContact NE2-CZ 3.34Å; H448-R468 PolarHBondContact NE2-NH1 3.02Å; H448-R468 PolarHBondContact NE2-NH2 2.82Å; H448-A469 CarbonylContact C-O 3.54Å; H448-A469 VanDerWaalsContact CA-O 3.3Å; H448-A469 WeakPolarHBondContact CA-O 3.46Å
449V96.9Very high95.6Very high1 Ų146 Ų461%0.00627%0.271CS..  trans-74.4119.7166.8176.20000107.5D451 A469 P474 N479 T533V449-D451 PolarHBondContact O-N 3.04Å; V449-A469 HydrophobicContact CB-CB 4.43Å; V449-A469 HydrophobicContact CG2-CB 4.12Å; V449-A469 PolarHBondContact N-O 3.33Å; V449-P474 HydrophobicContact CG2-CB 4.06Å; V449-N479 HydrophobicContact CG1-CB 3.85Å; V449-T533 HydrophobicContact CG2-CG2 3.85Å
450P97.6Very high95.6Very high0 Ų046.6 Ų46.60%027%0.268CS..  trans-64.1134.8178.426-33.9000109.8Q444 L453 A480 I481 P534Q444-P450 HydrophobicContact CG-CB 4.34Å; P450-L453 HydrophobicContact CB-CD1 4.43Å; P450-A480 VanDerWaalsContact O-CB 3.28Å; P450-A480 WeakPolarHBondContact O-CB 3.43Å; P450-A480 PolarHBondContact O-N 2.79Å; P450-I481 HydrophobicContact CG-CD1 3.84Å; P450-I481 HydrophobicContact CG-CG1 3.93Å; P450-P534 WeakPolarHBondContact CD-O 3.25Å
451D97.5Very high95.6Very high31 Ų3149.9 Ų49.917%0.16629%0.287CS..  trans-120.5-13.7-16964.9-45.7000114.3V449 Q465 G466 R468V449-D451 PolarHBondContact O-N 3.04Å; D451-Q465 CarbonylContact O-C 3.59Å; D451-Q465 WeakPolarHBondContact O-CA 3.49Å; D451-Q465 PolarHBondContact O-NE2 3.45Å; D451-G466 PolarHBondContact O-N 3.07Å; D451-R468 HydrophobicContact CB-CB 3.85Å; D451-R468 VanDerWaalsContact CB-N 3.26Å; D451-R468 IonicContact OD1-CZ 3.62Å; D451-R468 IonicContact OD1-NE 2.94Å; D451-R468 PolarHBondContact OD1-NE 2.98Å; D451-R468 VanDerWaalsContact OD1-NE 3.13Å; D451-R468 IonicContact OD1-NH2 3.06Å; D451-R468 PolarHBondContact OD1-NH2 3.11Å; D451-R468 IonicContact OD2-NE 2.7Å
452A98.1Very high95.6Very high36 Ų3644.9 Ų44.930%0.29826%0.261SS..EExtended strand (participates in β ladder)trans-139.6118.5173.500000109.6G442G442-A452 WeakPolarHBondContact CA-O 3.47Å
453L98.4Very high95.7Very high4 Ų445.9 Ų45.92%0.02126%0.262CS..EExtended strand (participates in β ladder)trans-136.7149.4176.4-72.2175.3000111.5I441 Q444 P450 S463 V464 A480 I481 L484I441-L453 CarbonylContact O-C 3.59Å; I441-L453 WeakPolarHBondContact O-CA 3.24Å; Q444-L453 HydrophobicContact CG-CD2 3.6Å; P450-L453 HydrophobicContact CB-CD1 4.43Å; L453-S463 WeakPolarHBondContact O-CA 3.43Å; L453-V464 HydrophobicContact CB-CG2 4.42Å; L453-V464 PolarHBondContact N-O 3.23Å; L453-V464 PolarHBondContact O-N 3.19Å; L453-A480 HydrophobicContact CB-CB 4.01Å; L453-A480 HydrophobicContact CD1-CB 3.88Å; L453-A480 HydrophobicContact CG-CB 3.81Å; L453-I481 HydrophobicContact CD1-CB 4.33Å; L453-I481 HydrophobicContact CD1-CG1 3.45Å; L453-I481 VanDerWaalsContact CD1-CG1 3.45Å; L453-L484 HydrophobicContact CB-CD2 4.13Å
454S98.2Very high95.8Very high23 Ų2343 Ų4316%0.16125%0.248CC..EExtended strand (participates in β ladder)trans-141.6153.5172.465.20000111.9F440 I441 I462F440-S454 CarbonylContact C-O 3.49Å; F440-S454 WeakPolarHBondContact CA-O 3.5Å; I441-S454 PolarHBondContact N-O 3.38Å; I441-S454 PolarHBondContact O-N 2.78Å; I441-S454 PolarHBondContact O-OG 2.88Å; S454-I462 CarbonylContact C-O 3.57Å; S454-I462 WeakPolarHBondContact CA-O 3.48Å
455V98.2Very high95.9Very high0 Ų048.1 Ų48.10%027%0.271CS..EExtended strand (participates in β ladder)trans-143.5148.5172.7660000109L437 G438 F440 I457 I462 L484 I488L437-V455 HydrophobicContact CD1-CG2 3.73Å; L437-V455 HydrophobicContact CG-CG2 4.3Å; G438-V455 WeakPolarHBondContact O-CG2 3.15Å; F440-V455 HydrophobicContact CD1-CB 3.95Å; F440-V455 HydrophobicContact CD1-CG2 4.21Å; F440-V455 HydrophobicContact CE1-CB 4.09Å; F440-V455 HydrophobicContact CE1-CG1 4.32Å; F440-V455 HydrophobicContact CE1-CG2 4.14Å; V455-I457 HydrophobicContact CG1-CD1 3.94Å; V455-I457 HydrophobicContact CG1-CG1 3.89Å; V455-I457 HydrophobicContact CG2-CG1 4.31Å; V455-I462 HydrophobicContact CG1-CB 4.37Å; V455-I462 PolarHBondContact N-O 3.1Å; V455-I462 PolarHBondContact O-N 2.92Å; V455-L484 HydrophobicContact CB-CD2 4.34Å; V455-L484 HydrophobicContact CG1-CD1 4.22Å; V455-L484 HydrophobicContact CG1-CD2 4.01Å; V455-L484 HydrophobicContact CG1-CG 4.34Å; V455-I488 HydrophobicContact CG1-CD1 4.03Å
456T97.8Very high96.1Very high53 Ų5347.3 Ų47.333%0.32527%0.266SS..EExtended strand (participates in β ladder)trans-101.4121.5173.3-59.40000109.3G438 K460G438-T456 WeakPolarHBondContact CA-O 3.29Å; G438-T456 PolarHBondContact N-O 3.43Å; T456-K460 CarbonylContact C-O 3.54Å; T456-K460 WeakPolarHBondContact CA-O 3.43Å
457I96.5Very high96.4Very high5 Ų548.1 Ų48.13%0.02627%0.272CS..EExtended strand (participates in β ladder)trans-122.9124179.5-41.4-167.9000109.1D436 L437 V455 G459 K460 I462 I488 A493 V494D436-I457 WeakPolarHBondContact O-CA 3.39Å; L437-I457 HydrophobicContact CD1-CD1 3.67Å; L437-I457 HydrophobicContact CD1-CG1 3.88Å; V455-I457 HydrophobicContact CG1-CD1 3.94Å; V455-I457 HydrophobicContact CG1-CG1 3.89Å; V455-I457 HydrophobicContact CG2-CG1 4.31Å; I457-G459 PolarHBondContact O-N 3.26Å; I457-G459 VanDerWaalsContact O-N 3.14Å; I457-K460 PolarHBondContact N-O 3.47Å; I457-K460 WeakPolarHBondContact O-CB 3.07Å; I457-K460 PolarHBondContact O-N 3.01Å; I457-I462 HydrophobicContact CD1-CD1 3.94Å; I457-I462 HydrophobicContact CG1-CD1 4.15Å; I457-I488 HydrophobicContact CD1-CD1 3.92Å; I457-I488 HydrophobicContact CD1-CG1 3.79Å; I457-I488 HydrophobicContact CD1-CG2 4.19Å; I457-A493 HydrophobicContact CB-CB 4.41Å; I457-A493 HydrophobicContact CD1-CB 4.1Å; I457-A493 HydrophobicContact CG2-CB 4.35Å; I457-A493 WeakPolarHBondContact CG2-O 3.5Å; I457-V494 HydrophobicContact CD1-CG1 4.01Å; I457-V494 HydrophobicContact CG2-CG1 4.07Å
458H93.4Very high96.8Very high125 Ų12548.3 Ų48.358%0.57927%0.265SS*.THydrogen-bonded Turntrans5037.1-174.3-57.8-71.6000113.3D436 K460 A493D436-H458 WeakPolarHBondContact CB-CE1 3.35Å; D436-H458 WeakPolarHBondContact CB-ND1 3.4Å; D436-H458 PolarHBondContact O-N 2.98Å; D436-H458 VanDerWaalsContact O-N 3.08Å; D436-H458 IonicContact OD2-CE1 2.97Å; D436-H458 PolarHBondContact OD2-CE1 3.12Å; D436-H458 IonicContact OD2-ND1 3.77Å; D436-H458 PolarHBondContact OD2-ND1 3.4Å; H458-K460 PolarHBondContact O-N 3.49Å; H458-A493 PolarHBondContact CD2-O 3.1Å
459G93Very high96.8Very high72 Ų7247.9 Ų47.974%0.74226%0.264SS*.THydrogen-bonded Turntrans77.1-3-177.200000115.5I457I457-G459 PolarHBondContact O-N 3.26Å; I457-G459 VanDerWaalsContact O-N 3.14Å
460K96.1Very high96.5Very high118 Ų11851.1 Ų51.151%0.51329%0.285SS..EExtended strand (participates in β ladder)trans-93.1124.5174.3-172.9-174.6-178-170.20110.2T456 I457 H458 E491T456-K460 CarbonylContact C-O 3.54Å; T456-K460 WeakPolarHBondContact CA-O 3.43Å; I457-K460 PolarHBondContact N-O 3.47Å; I457-K460 WeakPolarHBondContact O-CB 3.07Å; I457-K460 PolarHBondContact O-N 3.01Å; H458-K460 PolarHBondContact O-N 3.49Å; K460-E491 VanDerWaalsContact CE-OE2 3.28Å; K460-E491 WeakPolarHBondContact CE-OE2 3.42Å; K460-E491 IonicContact NZ-OE2 2.95Å; K460-E491 PolarHBondContact NZ-OE2 2.98Å
461N97.6Very high96.1Very high87 Ų8751.3 Ų51.347%0.46529%0.286SS..EExtended strand (participates in β ladder)trans-77.1127.3172.4-172.3-84.7000110.5
462I98.1Very high95.7Very high1 Ų152.8 Ų52.81%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-114.7118172.6-56.5-178.9000106.9S454 V455 I457 L484 K487 I488 A493S454-I462 CarbonylContact C-O 3.57Å; S454-I462 WeakPolarHBondContact CA-O 3.48Å; V455-I462 HydrophobicContact CG1-CB 4.37Å; V455-I462 PolarHBondContact N-O 3.1Å; V455-I462 PolarHBondContact O-N 2.92Å; I457-I462 HydrophobicContact CD1-CD1 3.94Å; I457-I462 HydrophobicContact CG1-CD1 4.15Å; I462-L484 HydrophobicContact CB-CD1 4.43Å; I462-L484 HydrophobicContact CG2-CD1 3.82Å; I462-K487 HydrophobicContact CG2-CB 4.18Å; I462-K487 HydrophobicContact CG2-CD 3.6Å; I462-K487 HydrophobicContact CG2-CG 3.68Å; I462-I488 HydrophobicContact CD1-CG1 4.15Å; I462-A493 HydrophobicContact CD1-CB 3.65Å
463S98.2Very high95.4Very high60 Ų6052 Ų5242%0.4229%0.287SS..EExtended strand (participates in β ladder)trans-124.4149.5178.756.40000111.6L453 K487L453-S463 WeakPolarHBondContact O-CA 3.43Å; S463-K487 PolarHBondContact O-NZ 2.94Å
464V98.5Very high95.2Very high23 Ų2351.9 Ų51.914%0.13929%0.287CS..EExtended strand (participates in β ladder)trans-135.4152.1175.4-63.40000110.5L453 A480 L483 L484 K487L453-V464 HydrophobicContact CB-CG2 4.42Å; L453-V464 PolarHBondContact N-O 3.23Å; L453-V464 PolarHBondContact O-N 3.19Å; V464-A480 HydrophobicContact CG2-CB 4.07Å; V464-A480 WeakPolarHBondContact CG2-O 3.26Å; V464-L483 HydrophobicContact CB-CB 4.11Å; V464-L483 HydrophobicContact CG1-CB 4.28Å; V464-L483 HydrophobicContact CG2-CB 4.08Å; V464-L484 HydrophobicContact CG1-CB 4.38Å; V464-L484 HydrophobicContact CG1-CD1 4.03Å; V464-L484 HydrophobicContact CG2-CB 3.78Å; V464-L484 HydrophobicContact CG2-CD1 4.13Å; V464-K487 HydrophobicContact CG1-CB 4.04Å; V464-K487 HydrophobicContact CG1-CD 3.7Å
465Q98.3Very high95Very high133 Ų13355 Ų5562%0.62130%0.299SS*.EExtended strand (participates in β ladder)trans-125.6118.8173.1-173.667.841.700107.5D451D451-Q465 CarbonylContact O-C 3.59Å; D451-Q465 WeakPolarHBondContact O-CA 3.49Å; D451-Q465 PolarHBondContact O-NE2 3.45Å
466G97.6Very high94.8Very high13 Ų1360 Ų6013%0.13433%0.325CS..  trans-108.2-143.6168.500000110.7D451 E478D451-G466 PolarHBondContact O-N 3.07Å; G466-E478 WeakPolarHBondContact CA-O 3.3Å
467K96.8Very high94.7Very high109 Ų10957.8 Ų57.847%0.47431%0.313SS..BIsolated β-bridgetrans-139.5122.7-173.2-177.8-173.9176.1-155.30110.7L476 G477 E478K467-L476 WeakPolarHBondContact CD-O 3.48Å; K467-L476 VanDerWaalsContact CE-O 3.32Å; K467-L476 WeakPolarHBondContact CE-O 3.48Å; K467-L476 PolarHBondContact NZ-O 3.21Å; K467-G477 CarbonylContact O-C 3.46Å; K467-G477 WeakPolarHBondContact O-CA 3.23Å; K467-E478 HydrophobicContact CB-CB 3.98Å; K467-E478 HydrophobicContact CB-CG 4.1Å; K467-E478 PolarHBondContact N-O 3.3Å; K467-E478 PolarHBondContact O-N 3.06Å
468R94.4Very high94.7Very high106 Ų10662.7 Ų62.740%0.434%0.336SS..  trans-67.9138.7179.1-170.2169.4-70.5-140.9-3.4110.8D443 H448 D451D443-R468 IonicContact OD2-CZ 3.45Å; D443-R468 IonicContact OD2-NH1 3.86Å; D443-R468 PolarHBondContact OD2-NH1 2.84Å; D443-R468 IonicContact OD2-NH2 3.61Å; D443-R468 PolarHBondContact OD2-NH2 2.99Å; H448-R468 HydrophobicContact CB-CG 4.09Å; H448-R468 VanDerWaalsContact CD2-CZ 3.43Å; H448-R468 PolarHBondContact CE1-NH1 2.89Å; H448-R468 VanDerWaalsContact NE2-CZ 3.34Å; H448-R468 PolarHBondContact NE2-NH1 3.02Å; H448-R468 PolarHBondContact NE2-NH2 2.82Å; D451-R468 HydrophobicContact CB-CB 3.85Å; D451-R468 VanDerWaalsContact CB-N 3.26Å; D451-R468 IonicContact OD1-CZ 3.62Å; D451-R468 IonicContact OD1-NE 2.94Å; D451-R468 PolarHBondContact OD1-NE 2.98Å; D451-R468 VanDerWaalsContact OD1-NE 3.13Å; D451-R468 IonicContact OD1-NH2 3.06Å; D451-R468 PolarHBondContact OD1-NH2 3.11Å; D451-R468 IonicContact OD2-NE 2.7Å
469A91.8Very high94.9Very high6 Ų657.4 Ų57.45%0.0531%0.312CS..  trans-147.7158.2169.400000109.5H448 V449 L476H448-A469 CarbonylContact C-O 3.54Å; H448-A469 VanDerWaalsContact CA-O 3.3Å; H448-A469 WeakPolarHBondContact CA-O 3.46Å; V449-A469 HydrophobicContact CB-CB 4.43Å; V449-A469 HydrophobicContact CG2-CB 4.12Å; V449-A469 PolarHBondContact N-O 3.33Å; A469-L476 HydrophobicContact CB-CB 4.06Å
470P89.5Confident95.2Very high69 Ų6954 Ų5445%0.44828%0.276SS..BIsolated β-bridgetrans-57.9144.4170.9-26.137000111.9N472 A473P470-N472 WeakPolarHBondContact CB-OD1 3.49Å; P470-N472 PolarHBondContact O-N 3.41Å; P470-A473 CarbonylContact O-C 3.6Å; P470-A473 PolarHBondContact O-N 3.16Å
471S90.4Very high95.3Very high4 Ų448.4 Ų48.43%0.02825%0.252CS..THydrogen-bonded Turntrans-65.4-10.6-179.471.90000114.1R446 D447 T533 R551R446-S471 VanDerWaalsContact O-CB 3.32Å; R446-S471 WeakPolarHBondContact O-CB 3.49Å; R446-S471 PolarHBondContact O-OG 3.06Å; D447-S471 PolarHBondContact O-N 3.13Å; S471-T533 PolarHBondContact O-OG1 3.04Å; S471-R551 PolarHBondContact O-NH1 3.41Å; S471-R551 PolarHBondContact OG-NH1 3.22Å; S471-R551 PolarHBondContact OG-NH2 3.11Å
472N88.8Confident95.4Very high62 Ų6244.6 Ų44.633%0.33223%0.232SC..THydrogen-bonded Turntrans-96.54.3173.666.3-10000113.9P470 M531 R551 T614P470-N472 WeakPolarHBondContact CB-OD1 3.49Å; P470-N472 PolarHBondContact O-N 3.41Å; N472-M531 HydrophobicContact CB-CE 4.47Å; N472-M531 WeakPolarHBondContact O-CE 3.04Å; N472-R551 VanDerWaalsContact CB-CZ 3.48Å; N472-T614 PolarHBondContact ND2-OG1 2.65Å
473A91.2Very high95.4Very high18 Ų1846.6 Ų46.615%0.14924%0.243CC..  trans-142.155.3171.300000110.1P470 E475 L476P470-A473 CarbonylContact O-C 3.6Å; P470-A473 PolarHBondContact O-N 3.16Å; A473-E475 WeakPolarHBondContact CA-OE2 3.22Å; A473-E475 PolarHBondContact O-N 2.93Å; A473-E475 VanDerWaalsContact O-N 3.17Å; A473-L476 HydrophobicContact CB-CD1 3.88Å; A473-L476 HydrophobicContact CB-CG 4.18Å; A473-L476 WeakPolarHBondContact O-CB 3.28Å; A473-L476 PolarHBondContact O-N 2.7Å; A473-L476 VanDerWaalsContact O-N 3.09Å
474P94.4Very high95.4Very high3 Ų343.9 Ų43.92%0.01922%0.223CC..G310 helixtrans-61.1-25.2-172.225-34.6000114.4V449 L476 G477 H513 T533V449-P474 HydrophobicContact CG2-CB 4.06Å; P474-L476 PolarHBondContact O-N 2.94Å; P474-G477 PolarHBondContact O-N 3.47Å; P474-G477 VanDerWaalsContact O-N 3.12Å; P474-H513 HydrophobicContact CG-CB 4.14Å; P474-H513 PolarHBondContact O-CE1 3.34Å; P474-T533 WeakPolarHBondContact CB-OG1 3.38Å
475E95Very high95.4Very high89 Ų8942.8 Ų42.842%0.41622%0.217SC..G310 helixtrans-66-16.3176.771.5-76.3179.100114.1A473 G477 H513A473-E475 WeakPolarHBondContact CA-OE2 3.22Å; A473-E475 PolarHBondContact O-N 2.93Å; A473-E475 VanDerWaalsContact O-N 3.17Å; E475-G477 VanDerWaalsContact C-N 3.32Å; E475-H513 HydrophobicContact CB-CB 4.35Å
476L93.8Very high95.4Very high103 Ų10340 Ų4054%0.53920%0.204SC..G310 helixtrans-83.5-12.2174.9-60.2-177.4000112.8K467 A469 A473 P474K467-L476 WeakPolarHBondContact CD-O 3.48Å; K467-L476 VanDerWaalsContact CE-O 3.32Å; K467-L476 WeakPolarHBondContact CE-O 3.48Å; K467-L476 PolarHBondContact NZ-O 3.21Å; A469-L476 HydrophobicContact CB-CB 4.06Å; A473-L476 HydrophobicContact CB-CD1 3.88Å; A473-L476 HydrophobicContact CB-CG 4.18Å; A473-L476 WeakPolarHBondContact O-CB 3.28Å; A473-L476 PolarHBondContact O-N 2.7Å; A473-L476 VanDerWaalsContact O-N 3.09Å; P474-L476 PolarHBondContact O-N 2.94Å
477G94.5Very high95.4Very high7 Ų742.3 Ų42.37%0.07221%0.21CC..SBendtrans-110.4175.1-178.700000113.1K467 P474 E475K467-G477 CarbonylContact O-C 3.46Å; K467-G477 WeakPolarHBondContact O-CA 3.23Å; P474-G477 PolarHBondContact O-N 3.47Å; P474-G477 VanDerWaalsContact O-N 3.12Å; E475-G477 VanDerWaalsContact C-N 3.32Å
478E97.5Very high95.5Very high109 Ų10937.1 Ų37.151%0.50919%0.188SC..BIsolated β-bridgetrans-127.2112.9173.9-64.8171.7-12700106.5G466 K467 A480 L483G466-E478 WeakPolarHBondContact CA-O 3.3Å; K467-E478 HydrophobicContact CB-CB 3.98Å; K467-E478 HydrophobicContact CB-CG 4.1Å; K467-E478 PolarHBondContact N-O 3.3Å; K467-E478 PolarHBondContact O-N 3.06Å; E478-A480 PolarHBondContact O-N 2.56Å; E478-L483 HydrophobicContact CB-CD1 4.33Å
479N98.4Very high95.7Very high13 Ų1334.2 Ų34.27%0.0718%0.18CC..  trans-80.5117.1-165.4-166.2-55.6000111.9V449 I481 T482 L483 P534V449-N479 HydrophobicContact CG1-CB 3.85Å; N479-I481 PolarHBondContact O-N 2.85Å; N479-I481 VanDerWaalsContact OD1-CB 3.28Å; N479-I481 WeakPolarHBondContact OD1-CB 3.2Å; N479-I481 PolarHBondContact OD1-N 2.68Å; N479-T482 PolarHBondContact O-N 3.24Å; N479-T482 PolarHBondContact O-OG1 3.06Å; N479-L483 WeakPolarHBondContact O-CG 3.39Å; N479-L483 PolarHBondContact O-N 2.89Å; N479-L483 VanDerWaalsContact O-N 3.09Å; N479-P534 WeakPolarHBondContact ND2-CG 3.18Å; N479-P534 PolarHBondContact ND2-O 2.98Å
480A98.5Very high95.9Very high0 Ų041.8 Ų41.80%021%0.214CC..Hα-helixtrans-61.3-26.8-178.300000113.2P450 L453 V464 E478 L484P450-A480 VanDerWaalsContact O-CB 3.28Å; P450-A480 WeakPolarHBondContact O-CB 3.43Å; P450-A480 PolarHBondContact O-N 2.79Å; L453-A480 HydrophobicContact CB-CB 4.01Å; L453-A480 HydrophobicContact CD1-CB 3.88Å; L453-A480 HydrophobicContact CG-CB 3.81Å; V464-A480 HydrophobicContact CG2-CB 4.07Å; V464-A480 WeakPolarHBondContact CG2-O 3.26Å; E478-A480 PolarHBondContact O-N 2.56Å; A480-L484 WeakPolarHBondContact O-CB 3.5Å; A480-L484 PolarHBondContact O-N 3.39Å
481I98.7Very high96.2Very high1 Ų141.8 Ų41.81%0.00521%0.208CC..Hα-helixtrans-65.8-47.4178.2-64170.6000110.1P450 L453 N479 L484 A485 P534 L537 L546P450-I481 HydrophobicContact CG-CD1 3.84Å; P450-I481 HydrophobicContact CG-CG1 3.93Å; L453-I481 HydrophobicContact CD1-CB 4.33Å; L453-I481 HydrophobicContact CD1-CG1 3.45Å; L453-I481 VanDerWaalsContact CD1-CG1 3.45Å; N479-I481 PolarHBondContact O-N 2.85Å; N479-I481 VanDerWaalsContact OD1-CB 3.28Å; N479-I481 WeakPolarHBondContact OD1-CB 3.2Å; N479-I481 PolarHBondContact OD1-N 2.68Å; I481-L484 PolarHBondContact O-N 2.79Å; I481-A485 PolarHBondContact O-N 3.15Å; I481-P534 HydrophobicContact CD1-CB 4.11Å; I481-L537 HydrophobicContact CD1-CB 4.21Å; I481-L537 HydrophobicContact CG1-CB 4.26Å; I481-L537 HydrophobicContact CG2-CB 4.17Å; I481-L537 HydrophobicContact CG2-CD2 4.04Å; I481-L546 HydrophobicContact CD1-CD1 4.46Å; I481-L546 HydrophobicContact CG2-CD1 4.1Å
482T98.4Very high96.4Very high8 Ų849.6 Ų49.65%0.04924%0.244CC..Hα-helixtrans-71.9-38.418052.30000111.5N479 L484 A485 E486 L509 A510N479-T482 PolarHBondContact O-N 3.24Å; N479-T482 PolarHBondContact O-OG1 3.06Å; T482-L484 VanDerWaalsContact C-N 3.32Å; T482-L484 PolarHBondContact O-N 3.36Å; T482-A485 WeakPolarHBondContact O-CB 3.32Å; T482-A485 PolarHBondContact O-N 3.27Å; T482-E486 WeakPolarHBondContact O-CG 3.3Å; T482-E486 PolarHBondContact O-N 3.4Å; T482-L509 HydrophobicContact CG2-CB 3.84Å; T482-A510 HydrophobicContact CG2-CB 4.17Å
483L98.6Very high96.7Very high42 Ų4247.5 Ų47.522%0.2224%0.236CC..Hα-helixtrans-62.1-39.9173.8-67.9175000111.9V464 E478 N479 E486 K487V464-L483 HydrophobicContact CB-CB 4.11Å; V464-L483 HydrophobicContact CG1-CB 4.28Å; V464-L483 HydrophobicContact CG2-CB 4.08Å; E478-L483 HydrophobicContact CB-CD1 4.33Å; N479-L483 WeakPolarHBondContact O-CG 3.39Å; N479-L483 PolarHBondContact O-N 2.89Å; N479-L483 VanDerWaalsContact O-N 3.09Å; L483-E486 PolarHBondContact O-N 2.67Å; L483-K487 PolarHBondContact O-N 2.96Å
484L98.5Very high96.9Very high3 Ų347.4 Ų47.42%0.01623%0.233CC..Hα-helixtrans-66.6-41.5177.8-17064.2000110.7F440 L453 V455 I462 V464 A480 I481 T482 E486 K487 I488F440-L484 HydrophobicContact CD1-CD2 3.63Å; F440-L484 HydrophobicContact CE1-CD2 3.83Å; L453-L484 HydrophobicContact CB-CD2 4.13Å; V455-L484 HydrophobicContact CB-CD2 4.34Å; V455-L484 HydrophobicContact CG1-CD1 4.22Å; V455-L484 HydrophobicContact CG1-CD2 4.01Å; V455-L484 HydrophobicContact CG1-CG 4.34Å; I462-L484 HydrophobicContact CB-CD1 4.43Å; I462-L484 HydrophobicContact CG2-CD1 3.82Å; V464-L484 HydrophobicContact CG1-CB 4.38Å; V464-L484 HydrophobicContact CG1-CD1 4.03Å; V464-L484 HydrophobicContact CG2-CB 3.78Å; V464-L484 HydrophobicContact CG2-CD1 4.13Å; A480-L484 WeakPolarHBondContact O-CB 3.5Å; A480-L484 PolarHBondContact O-N 3.39Å; I481-L484 PolarHBondContact O-N 2.79Å; T482-L484 VanDerWaalsContact C-N 3.32Å; T482-L484 PolarHBondContact O-N 3.36Å; L484-E486 PolarHBondContact O-N 2.69Å; L484-K487 PolarHBondContact O-N 3.38Å; L484-I488 HydrophobicContact CG-CD1 4.01Å; L484-I488 WeakPolarHBondContact O-CB 3.08Å; L484-I488 WeakPolarHBondContact O-CG1 3.31Å; L484-I488 PolarHBondContact O-N 2.92Å
485A98.5Very high96.8Very high0 Ų052.3 Ų52.30%026%0.263CS..Hα-helixtrans-58.3-45.5173.300000112.1I481 T482 K487 I488 L489 F502 L505 I506I481-A485 PolarHBondContact O-N 3.15Å; T482-A485 WeakPolarHBondContact O-CB 3.32Å; T482-A485 PolarHBondContact O-N 3.27Å; A485-K487 PolarHBondContact O-N 2.98Å; A485-I488 PolarHBondContact O-N 3.42Å; A485-L489 PolarHBondContact O-N 2.79Å; A485-L489 VanDerWaalsContact O-N 3.15Å; A485-F502 HydrophobicContact CB-CB 4.16Å; A485-F502 HydrophobicContact CB-CD1 3.65Å; A485-F502 HydrophobicContact CB-CG 4.34Å; A485-L505 HydrophobicContact CB-CB 4.23Å; A485-L505 HydrophobicContact CB-CD1 4.32Å; A485-I506 HydrophobicContact CB-CD1 4.21Å; A485-I506 HydrophobicContact CB-CG1 3.81Å
486E98.3Very high96.8Very high75 Ų7550 Ų5035%0.3526%0.262SS..Hα-helixtrans-58.2-48175.9-72.1173.8179.300111.5T482 L483 L484 L489 Q490 I506T482-E486 WeakPolarHBondContact O-CG 3.3Å; T482-E486 PolarHBondContact O-N 3.4Å; L483-E486 PolarHBondContact O-N 2.67Å; L484-E486 PolarHBondContact O-N 2.69Å; E486-L489 PolarHBondContact O-N 3.3Å; E486-Q490 WeakPolarHBondContact O-CB 3.44Å; E486-Q490 PolarHBondContact O-N 3.37Å; E486-I506 HydrophobicContact CB-CD1 4.28Å; E486-I506 HydrophobicContact CG-CD1 3.73Å; E486-I506 HydrophobicContact CG-CG1 3.79Å; E486-I506 HydrophobicContact CG-CG2 4.08Å
487K98.3Very high96.8Very high62 Ų6247.8 Ų47.827%0.2725%0.254SS..Hα-helixtrans-65.4-40.6-179.4-169.4170.4176.71750112.5I462 S463 V464 L483 L484 A485 L489 Q490 E491I462-K487 HydrophobicContact CG2-CB 4.18Å; I462-K487 HydrophobicContact CG2-CD 3.6Å; I462-K487 HydrophobicContact CG2-CG 3.68Å; S463-K487 PolarHBondContact O-NZ 2.94Å; V464-K487 HydrophobicContact CG1-CB 4.04Å; V464-K487 HydrophobicContact CG1-CD 3.7Å; L483-K487 PolarHBondContact O-N 2.96Å; L484-K487 PolarHBondContact O-N 3.38Å; A485-K487 PolarHBondContact O-N 2.98Å; K487-L489 VanDerWaalsContact C-N 3.33Å; K487-L489 PolarHBondContact O-N 2.83Å; K487-Q490 PolarHBondContact O-N 3.28Å; K487-E491 WeakPolarHBondContact CE-OE1 3.3Å; K487-E491 HydrophobicContact CG-CG 4.41Å; K487-E491 WeakPolarHBondContact O-CB 3.32Å; K487-E491 WeakPolarHBondContact O-CG 3.37Å; K487-E491 PolarHBondContact O-N 3.45Å
488I98Very high96.9Very high0 Ų047.6 Ų47.60%025%0.251CS..Hα-helixtrans-58.5-44.7176.2-74.2168.6000111.1V455 I457 I462 L484 A485 Q492 A493 V494 F502V455-I488 HydrophobicContact CG1-CD1 4.03Å; I457-I488 HydrophobicContact CD1-CD1 3.92Å; I457-I488 HydrophobicContact CD1-CG1 3.79Å; I457-I488 HydrophobicContact CD1-CG2 4.19Å; I462-I488 HydrophobicContact CD1-CG1 4.15Å; L484-I488 HydrophobicContact CG-CD1 4.01Å; L484-I488 WeakPolarHBondContact O-CB 3.08Å; L484-I488 WeakPolarHBondContact O-CG1 3.31Å; L484-I488 PolarHBondContact O-N 2.92Å; A485-I488 PolarHBondContact O-N 3.42Å; I488-Q492 PolarHBondContact O-N 3.34Å; I488-A493 HydrophobicContact CG2-CB 4.41Å; I488-A493 PolarHBondContact O-N 2.69Å; I488-V494 HydrophobicContact CG2-CB 4.33Å; I488-V494 HydrophobicContact CG2-CG1 3.95Å; I488-V494 HydrophobicContact CG2-CG2 3.47Å; I488-V494 VanDerWaalsContact CG2-CG2 3.47Å; I488-F502 HydrophobicContact CD1-CD1 4.29Å; I488-F502 HydrophobicContact CD1-CE1 3.73Å; I488-F502 HydrophobicContact CD1-CE2 4.08Å; I488-F502 HydrophobicContact CD1-CZ 3.61Å; I488-F502 HydrophobicContact CG2-CD2 3.81Å; I488-F502 HydrophobicContact CG2-CE2 3.91Å; I488-F502 HydrophobicContact CG2-CG 4.31Å
489L97.8Very high96.8Very high45 Ų4543.3 Ų43.324%0.23623%0.234CC..Hα-helixtrans-72.5-40.1178.3-66.7-176.3000112.7A485 E486 K487 E491 Q492 A499 F502 S503 I506A485-L489 PolarHBondContact O-N 2.79Å; A485-L489 VanDerWaalsContact O-N 3.15Å; E486-L489 PolarHBondContact O-N 3.3Å; K487-L489 VanDerWaalsContact C-N 3.33Å; K487-L489 PolarHBondContact O-N 2.83Å; L489-E491 VanDerWaalsContact C-N 3.28Å; L489-E491 PolarHBondContact O-N 3.47Å; L489-Q492 PolarHBondContact O-N 2.77Å; L489-A499 HydrophobicContact CD2-CB 4.01Å; L489-F502 HydrophobicContact CD1-CB 4.24Å; L489-F502 HydrophobicContact CD2-CB 4.01Å; L489-F502 HydrophobicContact CG-CB 3.98Å; L489-S503 VanDerWaalsContact CD1-OG 3.31Å; L489-S503 WeakPolarHBondContact CD1-OG 3.23Å; L489-I506 HydrophobicContact CD1-CD1 3.54Å; L489-I506 HydrophobicContact CG-CD1 4.41Å
490Q97.2Very high96.8Very high165 Ų16549 Ų4977%0.77126%0.26SS*.Hα-helixtrans-60.8-39.3177.3-174.5-178.210.500111.6E486 K487 Q492E486-Q490 WeakPolarHBondContact O-CB 3.44Å; E486-Q490 PolarHBondContact O-N 3.37Å; K487-Q490 PolarHBondContact O-N 3.28Å; Q490-Q492 PolarHBondContact O-N 3.42Å
491E96.3Very high96.7Very high68 Ų6849.2 Ų49.232%0.31826%0.261SS..THydrogen-bonded Turntrans-82.3-0.1177.4-65.3-172.3-166.700113.5K460 K487 L489 A493K460-E491 VanDerWaalsContact CE-OE2 3.28Å; K460-E491 WeakPolarHBondContact CE-OE2 3.42Å; K460-E491 IonicContact NZ-OE2 2.95Å; K460-E491 PolarHBondContact NZ-OE2 2.98Å; K487-E491 WeakPolarHBondContact CE-OE1 3.3Å; K487-E491 HydrophobicContact CG-CG 4.41Å; K487-E491 WeakPolarHBondContact O-CB 3.32Å; K487-E491 WeakPolarHBondContact O-CG 3.37Å; K487-E491 PolarHBondContact O-N 3.45Å; L489-E491 VanDerWaalsContact C-N 3.28Å; L489-E491 PolarHBondContact O-N 3.47Å; E491-A493 PolarHBondContact O-N 3.16Å; E491-A493 VanDerWaalsContact O-N 3.16Å
492Q94.5Very high96.7Very high169 Ų16949.3 Ų49.379%0.7926%0.261SS*.THydrogen-bonded Turntrans50.136.8-175.7-59.7179.8-13.400112.2I488 L489 Q490 V494I488-Q492 PolarHBondContact O-N 3.34Å; L489-Q492 PolarHBondContact O-N 2.77Å; Q490-Q492 PolarHBondContact O-N 3.42Å; Q492-V494 PolarHBondContact O-N 3.28Å
493A94Very high96.7Very high18 Ų1851.6 Ų51.615%0.14928%0.278CS..  trans-74.7-13.4-171.900000113.2I457 H458 I462 I488 E491I457-A493 HydrophobicContact CB-CB 4.41Å; I457-A493 HydrophobicContact CD1-CB 4.1Å; I457-A493 HydrophobicContact CG2-CB 4.35Å; I457-A493 WeakPolarHBondContact CG2-O 3.5Å; H458-A493 PolarHBondContact CD2-O 3.1Å; I462-A493 HydrophobicContact CD1-CB 3.65Å; I488-A493 HydrophobicContact CG2-CB 4.41Å; I488-A493 PolarHBondContact O-N 2.69Å; E491-A493 PolarHBondContact O-N 3.16Å; E491-A493 VanDerWaalsContact O-N 3.16Å
494V94.9Very high96.7Very high15 Ų1551.2 Ų51.29%0.09127%0.274CS..  trans-140.7160.7-179.2-59.10000110.3I457 I488 Q492 L498 A499 F502I457-V494 HydrophobicContact CD1-CG1 4.01Å; I457-V494 HydrophobicContact CG2-CG1 4.07Å; I488-V494 HydrophobicContact CG2-CB 4.33Å; I488-V494 HydrophobicContact CG2-CG1 3.95Å; I488-V494 HydrophobicContact CG2-CG2 3.47Å; I488-V494 VanDerWaalsContact CG2-CG2 3.47Å; Q492-V494 PolarHBondContact O-N 3.28Å; V494-L498 HydrophobicContact CB-CD2 3.94Å; V494-L498 HydrophobicContact CB-CG 4.09Å; V494-L498 HydrophobicContact CG1-CD2 3.67Å; V494-L498 HydrophobicContact CG1-CG 4.19Å; V494-L498 HydrophobicContact CG2-CG 4.28Å; V494-A499 HydrophobicContact CG2-CB 4.13Å; V494-F502 HydrophobicContact CG1-CE2 4.4Å; V494-F502 HydrophobicContact CG2-CD2 3.84Å; V494-F502 HydrophobicContact CG2-CE2 4.15Å
495T93.2Very high96.7Very high107 Ų10751 Ų5166%0.65627%0.273SS*.  trans-135.7176.5-179.658.30000111.2A499T495-A499 PolarHBondContact O-N 2.82Å
496G94.2Very high96.7Very high39 Ų3952.9 Ų52.940%0.40228%0.282SS..Hα-helixtrans66.6-145.2170.600000113.5L498 A499 E500G496-L498 PolarHBondContact O-N 3.16Å; G496-A499 PolarHBondContact O-N 3.37Å; G496-A499 VanDerWaalsContact O-N 3.11Å; G496-E500 PolarHBondContact O-N 3.16Å
497T95.2Very high96.6Very high58 Ų5857.5 Ų57.536%0.35630%0.301SS..Hα-helixtrans-63.4-29.3-176.658.40000112.6P430 E433 E500 Y501P430-T497 WeakPolarHBondContact CD-OG1 3.35Å; E433-T497 PolarHBondContact OE1-N 3.49Å; E433-T497 PolarHBondContact OE1-OG1 2.73Å; E433-T497 PolarHBondContact OE2-N 3.11Å; E433-T497 PolarHBondContact OE2-OG1 3.33Å; T497-E500 PolarHBondContact O-N 3.34Å; T497-Y501 PolarHBondContact O-N 2.78Å
498L95.3Very high96.6Very high2 Ų254.7 Ų54.71%0.0129%0.29CS..Hα-helixtrans-66.3-40.1174.6-173.657.7000112.3F429 E433 L434 L437 V494 G496 Y501 F502 L544F429-L498 HydrophobicContact CD1-CB 4.25Å; F429-L498 HydrophobicContact CD1-CD1 4.29Å; F429-L498 HydrophobicContact CE1-CB 4.4Å; F429-L498 HydrophobicContact CE1-CD1 4.06Å; F429-L498 HydrophobicContact CZ-CD1 4.28Å; E433-L498 HydrophobicContact CB-CB 4.39Å; E433-L498 WeakPolarHBondContact O-CD2 3.39Å; E433-L498 WeakPolarHBondContact OE2-CB 3.38Å; E433-L498 PolarHBondContact OE2-N 2.95Å; L434-L498 HydrophobicContact CD2-CD1 4.32Å; L434-L498 HydrophobicContact CD2-CD2 4.43Å; L437-L498 HydrophobicContact CD2-CD2 4.38Å; V494-L498 HydrophobicContact CB-CD2 3.94Å; V494-L498 HydrophobicContact CB-CG 4.09Å; V494-L498 HydrophobicContact CG1-CD2 3.67Å; V494-L498 HydrophobicContact CG1-CG 4.19Å; V494-L498 HydrophobicContact CG2-CG 4.28Å; G496-L498 PolarHBondContact O-N 3.16Å; L498-Y501 WeakPolarHBondContact O-CB 3.28Å; L498-Y501 PolarHBondContact O-N 3.31Å; L498-F502 HydrophobicContact CD1-CD2 4.14Å; L498-F502 HydrophobicContact CD1-CE2 3.54Å; L498-F502 HydrophobicContact CD1-CZ 4.19Å; L498-F502 HydrophobicContact CD2-CE2 4.36Å; L498-F502 HydrophobicContact CG-CD2 4.13Å; L498-F502 HydrophobicContact CG-CE2 3.69Å; L498-F502 WeakPolarHBondContact O-CD2 3.42Å; L498-F502 PolarHBondContact O-N 2.85Å; L498-F502 VanDerWaalsContact O-N 3.09Å; L498-L544 HydrophobicContact CD1-CD1 3.71Å
499A96.6Very high96.6Very high19 Ų1955.1 Ų55.116%0.15729%0.292CS..Hα-helixtrans-67.1-37.317400000112.2L489 V494 T495 G496 Y501 F502 S503L489-A499 HydrophobicContact CD2-CB 4.01Å; V494-A499 HydrophobicContact CG2-CB 4.13Å; T495-A499 PolarHBondContact O-N 2.82Å; G496-A499 PolarHBondContact O-N 3.37Å; G496-A499 VanDerWaalsContact O-N 3.11Å; A499-Y501 VanDerWaalsContact C-N 3.33Å; A499-F502 PolarHBondContact O-N 3.35Å; A499-S503 WeakPolarHBondContact O-CB 3.26Å; A499-S503 PolarHBondContact O-N 3.41Å; A499-S503 PolarHBondContact O-OG 2.78Å
500E97.1Very high96.6Very high133 Ų13353.4 Ų53.462%0.62128%0.284SS*.Hα-helixtrans-63.9-39.3173.7-67.4176.8177.600111.6G496 T497 S503 W504G496-E500 PolarHBondContact O-N 3.16Å; T497-E500 PolarHBondContact O-N 3.34Å; E500-S503 WeakPolarHBondContact O-CB 3.38Å; E500-S503 PolarHBondContact O-N 3.48Å; E500-W504 WeakPolarHBondContact O-CB 3.46Å; E500-W504 PolarHBondContact O-N 2.91Å
501Y97.6Very high96.6Very high5 Ų551.5 Ų51.52%0.0228%0.279CS..Hα-helixtrans-63.4-46.9175.5177.1-96.8000112.8T427 F429 T497 L498 A499 S503 W504 L505 L544 L546 P570T427-Y501 HydrophobicContact CG2-CD2 4Å; T427-Y501 HydrophobicContact CG2-CE2 4.23Å; T427-Y501 WeakPolarHBondContact OG1-CE2 3.36Å; F429-Y501 HydrophobicContact CE1-CD2 4.45Å; F429-Y501 HydrophobicContact CE1-CG 4.08Å; F429-Y501 HydrophobicContact CZ-CD1 4.01Å; F429-Y501 AromaticContact CZ-CD2 3.67Å; F429-Y501 HydrophobicContact CZ-CD2 3.67Å; F429-Y501 HydrophobicContact CZ-CE2 4.27Å; F429-Y501 AromaticContact CZ-CG 3.51Å; F429-Y501 HydrophobicContact CZ-CG 3.51Å; T497-Y501 PolarHBondContact O-N 2.78Å; L498-Y501 WeakPolarHBondContact O-CB 3.28Å; L498-Y501 PolarHBondContact O-N 3.31Å; A499-Y501 VanDerWaalsContact C-N 3.33Å; Y501-S503 VanDerWaalsContact C-N 3.26Å; Y501-S503 PolarHBondContact O-N 3.33Å; Y501-W504 HydrophobicContact CD2-CE3 4.29Å; Y501-W504 HydrophobicContact CE2-CE3 4.18Å; Y501-W504 HydrophobicContact CE2-CZ3 4.12Å; Y501-W504 WeakPolarHBondContact O-CB 3.39Å; Y501-W504 PolarHBondContact O-N 2.99Å; Y501-L505 HydrophobicContact CD1-CD1 3.92Å; Y501-L505 HydrophobicContact CD1-CG 4.34Å; Y501-L505 HydrophobicContact CE1-CD1 3.43Å; Y501-L505 VanDerWaalsContact CE1-CD1 3.43Å; Y501-L505 HydrophobicContact CE1-CG 3.94Å; Y501-L505 PolarHBondContact O-N 3Å; Y501-L544 HydrophobicContact CD1-CD1 3.9Å; Y501-L544 HydrophobicContact CE1-CB 4.32Å; Y501-L544 HydrophobicContact CE1-CD1 3.66Å; Y501-L546 WeakPolarHBondContact OH-CB 3.35Å; Y501-P570 HydrophobicContact CD2-CB 4.32Å; Y501-P570 HydrophobicContact CD2-CG 3.83Å; Y501-P570 HydrophobicContact CE2-CG 4.09Å
502F98.1Very high96.7Very high2 Ų251 Ų511%0.00928%0.277CS..Hα-helixtrans-64.8-33.5174.8-71.7-64.4000111.8F440 A485 I488 L489 V494 L498 A499 W504 L505 I506 L537F440-F502 HydrophobicContact CZ-CE1 4.42Å; F440-F502 HydrophobicContact CZ-CZ 4.18Å; A485-F502 HydrophobicContact CB-CB 4.16Å; A485-F502 HydrophobicContact CB-CD1 3.65Å; A485-F502 HydrophobicContact CB-CG 4.34Å; I488-F502 HydrophobicContact CD1-CD1 4.29Å; I488-F502 HydrophobicContact CD1-CE1 3.73Å; I488-F502 HydrophobicContact CD1-CE2 4.08Å; I488-F502 HydrophobicContact CD1-CZ 3.61Å; I488-F502 HydrophobicContact CG2-CD2 3.81Å; I488-F502 HydrophobicContact CG2-CE2 3.91Å; I488-F502 HydrophobicContact CG2-CG 4.31Å; L489-F502 HydrophobicContact CD1-CB 4.24Å; L489-F502 HydrophobicContact CD2-CB 4.01Å; L489-F502 HydrophobicContact CG-CB 3.98Å; V494-F502 HydrophobicContact CG1-CE2 4.4Å; V494-F502 HydrophobicContact CG2-CD2 3.84Å; V494-F502 HydrophobicContact CG2-CE2 4.15Å; L498-F502 HydrophobicContact CD1-CD2 4.14Å; L498-F502 HydrophobicContact CD1-CE2 3.54Å; L498-F502 HydrophobicContact CD1-CZ 4.19Å; L498-F502 HydrophobicContact CD2-CE2 4.36Å; L498-F502 HydrophobicContact CG-CD2 4.13Å; L498-F502 HydrophobicContact CG-CE2 3.69Å; L498-F502 WeakPolarHBondContact O-CD2 3.42Å; L498-F502 PolarHBondContact O-N 2.85Å; L498-F502 VanDerWaalsContact O-N 3.09Å; A499-F502 PolarHBondContact O-N 3.35Å; F502-W504 VanDerWaalsContact C-N 3.34Å; F502-L505 HydrophobicContact CD1-CD1 3.75Å; F502-L505 HydrophobicContact CE1-CD1 4.18Å; F502-L505 WeakPolarHBondContact O-CB 3.3Å; F502-L505 PolarHBondContact O-N 2.62Å; F502-I506 WeakPolarHBondContact O-CD1 3.42Å; F502-I506 VanDerWaalsContact O-CG1 3.27Å; F502-I506 WeakPolarHBondContact O-CG1 3.37Å; F502-I506 PolarHBondContact O-N 3.21Å; F502-I506 VanDerWaalsContact O-N 3.15Å; F502-L537 HydrophobicContact CE1-CD2 4.47Å
503S98.3Very high96.8Very high57 Ų5744.5 Ų44.540%0.39925%0.246SC..Hα-helixtrans-65-39.8173.8-59.10000111.6L489 A499 E500 Y501 K507L489-S503 VanDerWaalsContact CD1-OG 3.31Å; L489-S503 WeakPolarHBondContact CD1-OG 3.23Å; A499-S503 WeakPolarHBondContact O-CB 3.26Å; A499-S503 PolarHBondContact O-N 3.41Å; A499-S503 PolarHBondContact O-OG 2.78Å; E500-S503 WeakPolarHBondContact O-CB 3.38Å; E500-S503 PolarHBondContact O-N 3.48Å; Y501-S503 VanDerWaalsContact C-N 3.26Å; Y501-S503 PolarHBondContact O-N 3.33Å; S503-K507 WeakPolarHBondContact O-CB 3.43Å; S503-K507 PolarHBondContact O-N 2.98Å
504W98.3Very high97Very high33 Ų3345.6 Ų45.613%0.12525%0.249CC..Hα-helixtrans-63.4-47.1173.2170.987.6000111.6I425 E500 Y501 F502 I506 K507 S508 L518 L546 H568 L569 P570I425-W504 HydrophobicContact CD1-CH2 4.23Å; E500-W504 WeakPolarHBondContact O-CB 3.46Å; E500-W504 PolarHBondContact O-N 2.91Å; Y501-W504 HydrophobicContact CD2-CE3 4.29Å; Y501-W504 HydrophobicContact CE2-CE3 4.18Å; Y501-W504 HydrophobicContact CE2-CZ3 4.12Å; Y501-W504 WeakPolarHBondContact O-CB 3.39Å; Y501-W504 PolarHBondContact O-N 2.99Å; F502-W504 VanDerWaalsContact C-N 3.34Å; W504-I506 VanDerWaalsContact C-N 3.28Å; W504-I506 PolarHBondContact O-N 3.18Å; W504-K507 PolarHBondContact O-N 3.28Å; W504-S508 PolarHBondContact NE1-OG 3.48Å; W504-S508 WeakPolarHBondContact O-CB 3.48Å; W504-S508 PolarHBondContact O-N 3.24Å; W504-S508 PolarHBondContact O-OG 2.76Å; W504-L518 HydrophobicContact CZ2-CD2 3.83Å; W504-L546 HydrophobicContact CH2-CD2 4.08Å; W504-L546 HydrophobicContact CZ3-CD2 3.95Å; W504-H568 PolarHBondContact NE1-O 3.01Å; W504-L569 HydrophobicContact CZ2-CD2 4.37Å; W504-P570 HydrophobicContact CD2-CG 3.51Å; W504-P570 HydrophobicContact CE3-CG 3.59Å; W504-P570 HydrophobicContact CG-CG 3.95Å; W504-P570 HydrophobicContact CH2-CG 4.27Å; W504-P570 HydrophobicContact CZ2-CG 4.19Å; W504-P570 HydrophobicContact CZ3-CG 3.97Å
505L98.1Very high97.1Very high0 Ų044.9 Ų44.90%024%0.244CC..Hα-helixtrans-51.8-47.8176.5-82.6174000111.5A485 Y501 F502 L509 L537 L546A485-L505 HydrophobicContact CB-CB 4.23Å; A485-L505 HydrophobicContact CB-CD1 4.32Å; Y501-L505 HydrophobicContact CD1-CD1 3.92Å; Y501-L505 HydrophobicContact CD1-CG 4.34Å; Y501-L505 HydrophobicContact CE1-CD1 3.43Å; Y501-L505 VanDerWaalsContact CE1-CD1 3.43Å; Y501-L505 HydrophobicContact CE1-CG 3.94Å; Y501-L505 PolarHBondContact O-N 3Å; F502-L505 HydrophobicContact CD1-CD1 3.75Å; F502-L505 HydrophobicContact CE1-CD1 4.18Å; F502-L505 WeakPolarHBondContact O-CB 3.3Å; F502-L505 PolarHBondContact O-N 2.62Å; L505-L509 HydrophobicContact CD2-CD1 3.91Å; L505-L509 WeakPolarHBondContact O-CB 2.95Å; L505-L509 PolarHBondContact O-N 3.12Å; L505-L537 HydrophobicContact CD1-CD2 4.48Å; L505-L546 HydrophobicContact CD2-CD1 3.98Å; L505-L546 HydrophobicContact CD2-CD2 3.52Å; L505-L546 HydrophobicContact CD2-CG 4.31Å
506I98.4Very high97.3Very high39 Ų3943.7 Ų43.720%0.223%0.231CC..Hα-helixtrans-64.8-54.5179.9-60.5162.5000110.2A485 E486 L489 F502 W504 S508 L509 A510A485-I506 HydrophobicContact CB-CD1 4.21Å; A485-I506 HydrophobicContact CB-CG1 3.81Å; E486-I506 HydrophobicContact CB-CD1 4.28Å; E486-I506 HydrophobicContact CG-CD1 3.73Å; E486-I506 HydrophobicContact CG-CG1 3.79Å; E486-I506 HydrophobicContact CG-CG2 4.08Å; L489-I506 HydrophobicContact CD1-CD1 3.54Å; L489-I506 HydrophobicContact CG-CD1 4.41Å; F502-I506 WeakPolarHBondContact O-CD1 3.42Å; F502-I506 VanDerWaalsContact O-CG1 3.27Å; F502-I506 WeakPolarHBondContact O-CG1 3.37Å; F502-I506 PolarHBondContact O-N 3.21Å; F502-I506 VanDerWaalsContact O-N 3.15Å; W504-I506 VanDerWaalsContact C-N 3.28Å; W504-I506 PolarHBondContact O-N 3.18Å; I506-S508 PolarHBondContact O-N 3.2Å; I506-L509 PolarHBondContact O-N 2.9Å; I506-A510 HydrophobicContact CG2-CB 3.95Å; I506-A510 WeakPolarHBondContact O-CB 3.32Å; I506-A510 PolarHBondContact O-N 2.88Å
507K98.1Very high97.5Very high171 Ų17142.8 Ų42.874%0.74322%0.222SC*.Hα-helixtrans-58.9-36.3-177.6-177.5-179.3175.7-174.70112.5S503 W504S503-K507 WeakPolarHBondContact O-CB 3.43Å; S503-K507 PolarHBondContact O-N 2.98Å; W504-K507 PolarHBondContact O-N 3.28Å
508S98.2Very high97.6Very high4 Ų440.1 Ų40.13%0.02821%0.205CC..Hα-helixtrans-88.6-27.5-173.6-74.40000114.2W504 I506 Q512 G517W504-S508 PolarHBondContact NE1-OG 3.48Å; W504-S508 WeakPolarHBondContact O-CB 3.48Å; W504-S508 PolarHBondContact O-N 3.24Å; W504-S508 PolarHBondContact O-OG 2.76Å; I506-S508 PolarHBondContact O-N 3.2Å; S508-Q512 WeakPolarHBondContact O-CB 3.43Å; S508-G517 PolarHBondContact OG-O 2.65Å
509L98.1Very high97.7Very high8 Ų841.8 Ų41.84%0.04222%0.223CC..Hα-helixtrans-130.5-24.3-168-61.3166.5000114.7T482 L505 I506 N511 Q512 L518 I532 P534 L546T482-L509 HydrophobicContact CG2-CB 3.84Å; L505-L509 HydrophobicContact CD2-CD1 3.91Å; L505-L509 WeakPolarHBondContact O-CB 2.95Å; L505-L509 PolarHBondContact O-N 3.12Å; I506-L509 PolarHBondContact O-N 2.9Å; L509-N511 PolarHBondContact O-N 2.84Å; L509-N511 VanDerWaalsContact O-N 3.15Å; L509-Q512 PolarHBondContact O-N 3.4Å; L509-L518 HydrophobicContact CD2-CD1 3.81Å; L509-I532 HydrophobicContact CD2-CD1 3.71Å; L509-I532 HydrophobicContact CD2-CG1 4.2Å; L509-I532 HydrophobicContact CD2-CG2 4.48Å; L509-P534 HydrophobicContact CB-CG 4.29Å; L509-P534 HydrophobicContact CD1-CB 4.16Å; L509-P534 HydrophobicContact CD1-CG 4.13Å; L509-L546 HydrophobicContact CD1-CD2 3.78Å
510A97.5Very high97.7Very high10 Ų1040.9 Ų40.98%0.08322%0.216CC..THydrogen-bonded Turntrans-68.3115.4-178.900000110.5T482 I506 Q512T482-A510 HydrophobicContact CG2-CB 4.17Å; I506-A510 HydrophobicContact CG2-CB 3.95Å; I506-A510 WeakPolarHBondContact O-CB 3.32Å; I506-A510 PolarHBondContact O-N 2.88Å; A510-Q512 WeakPolarHBondContact O-CG 3.21Å; A510-Q512 PolarHBondContact O-N 2.93Å; A510-Q512 VanDerWaalsContact O-N 3.1Å
511N96.5Very high97.8Very high124 Ų12437.3 Ų37.366%0.66321%0.209SC*.THydrogen-bonded Turntrans56.219.6-174.6-52.4-60.8000114.3L509L509-N511 PolarHBondContact O-N 2.84Å; L509-N511 VanDerWaalsContact O-N 3.15Å
512Q97.7Very high97.8Very high59 Ų5939.5 Ų39.528%0.27622%0.219SC..  trans-10450.7177.8-54.6-59.3-4900110.4S508 L509 A510 H514 G515 E516 I532S508-Q512 WeakPolarHBondContact O-CB 3.43Å; L509-Q512 PolarHBondContact O-N 3.4Å; A510-Q512 WeakPolarHBondContact O-CG 3.21Å; A510-Q512 PolarHBondContact O-N 2.93Å; A510-Q512 VanDerWaalsContact O-N 3.1Å; Q512-H514 PolarHBondContact O-N 3.02Å; Q512-G515 PolarHBondContact O-N 2.7Å; Q512-E516 VanDerWaalsContact C-OE2 3.29Å; Q512-I532 WeakPolarHBondContact O-CG2 3.26Å
513H97.3Very high97.7Very high31 Ų3143.1 Ų43.114%0.14424%0.244CC..THydrogen-bonded Turntrans-62.5-18-169.3-59.7-60.6000114.1P474 E475 M531 I532P474-H513 HydrophobicContact CG-CB 4.14Å; P474-H513 PolarHBondContact O-CE1 3.34Å; E475-H513 HydrophobicContact CB-CB 4.35Å; H513-M531 WeakPolarHBondContact O-CA 3.22Å; H513-I532 PolarHBondContact O-N 2.91Å
514H97.7Very high97.6Very high42 Ų4241.7 Ų41.719%0.19423%0.232CC..THydrogen-bonded Turntrans-105.814.6178.5-51-59.8000113.5Q512 E516 A521 K529 L530Q512-H514 PolarHBondContact O-N 3.02Å; H514-E516 VanDerWaalsContact C-OE2 3.23Å; H514-E516 WeakPolarHBondContact CA-OE2 3.45Å; H514-E516 WeakPolarHBondContact CB-OE1 3.23Å; H514-E516 IonicContact CD2-OE1 3.54Å; H514-E516 IonicContact CG-OE1 2.79Å; H514-E516 PolarHBondContact N-OE2 3.13Å; H514-A521 WeakPolarHBondContact O-CA 3.39Å; H514-K529 HydrophobicContact CB-CB 4.21Å; H514-K529 HydrophobicContact CB-CD 4.33Å; H514-L530 WeakPolarHBondContact CA-O 3.44Å; H514-L530 WeakPolarHBondContact CB-O 3.29Å; H514-L530 PolarHBondContact ND1-O 2.81Å
515G97.7Very high97.3Very high0 Ų045.3 Ų45.30%027%0.269CS..SBendtrans8013.9173.700000114.5Q512 G517 L518 G519 L520Q512-G515 PolarHBondContact O-N 2.7Å; G515-G517 VanDerWaalsContact C-N 3.29Å; G515-G517 PolarHBondContact O-N 2.66Å; G515-L518 CarbonylContact O-C 3.51Å; G515-L518 PolarHBondContact O-N 2.85Å; G515-G519 PolarHBondContact O-N 2.96Å; G515-L520 WeakPolarHBondContact O-CA 3.39Å; G515-L520 PolarHBondContact O-N 2.76Å
516E98.1Very high96.9Very high81 Ų8147.4 Ų47.438%0.37928%0.28SS..G310 helixtrans-57.8-41.5-178.1-5491.3150.200111.9Q512 H514 L518 G519 A521Q512-E516 VanDerWaalsContact C-OE2 3.29Å; H514-E516 VanDerWaalsContact C-OE2 3.23Å; H514-E516 WeakPolarHBondContact CA-OE2 3.45Å; H514-E516 WeakPolarHBondContact CB-OE1 3.23Å; H514-E516 IonicContact CD2-OE1 3.54Å; H514-E516 IonicContact CG-OE1 2.79Å; H514-E516 PolarHBondContact N-OE2 3.13Å; E516-L518 PolarHBondContact O-N 2.82Å; E516-L518 VanDerWaalsContact O-N 3.12Å; E516-G519 PolarHBondContact O-N 3.06Å; E516-A521 HydrophobicContact CB-CB 4.47Å; E516-A521 HydrophobicContact CG-CB 4.03Å
517G97.4Very high96.5Very high20 Ų2045.8 Ų45.821%0.20627%0.272CS..G310 helixtrans-68.2-4.7176.900000115.8S508 G515S508-G517 PolarHBondContact OG-O 2.65Å; G515-G517 VanDerWaalsContact C-N 3.29Å; G515-G517 PolarHBondContact O-N 2.66Å
518L97.7Very high96.3Very high2 Ų238.9 Ų38.91%0.0125%0.25CS..G310 helixtrans-123.511178.4-68.5169000112.5W504 L509 G515 E516 L520 I532 L565 H568W504-L518 HydrophobicContact CZ2-CD2 3.83Å; L509-L518 HydrophobicContact CD2-CD1 3.81Å; G515-L518 CarbonylContact O-C 3.51Å; G515-L518 PolarHBondContact O-N 2.85Å; E516-L518 PolarHBondContact O-N 2.82Å; E516-L518 VanDerWaalsContact O-N 3.12Å; L518-L520 HydrophobicContact CB-CB 4.46Å; L518-L520 HydrophobicContact CB-CD1 3.92Å; L518-L520 HydrophobicContact CB-CG 4.02Å; L518-L520 HydrophobicContact CD1-CD1 4.29Å; L518-L520 PolarHBondContact O-N 2.78Å; L518-I532 HydrophobicContact CD1-CD1 3.61Å; L518-L565 HydrophobicContact CD1-CD1 3.97Å; L518-L565 HydrophobicContact CD2-CD1 4.17Å; L518-L565 HydrophobicContact CG-CD1 4.47Å; L518-H568 HydrophobicContact CD2-CB 3.88Å; L518-H568 PolarHBondContact O-CE1 3.32Å; L518-H568 PolarHBondContact O-ND1 2.95Å
519G96.9Very high96.3Very high38 Ų3844.2 Ų44.239%0.39227%0.273SS..THydrogen-bonded Turntrans66.214.2-174.300000113.9G515 E516 T564G515-G519 PolarHBondContact O-N 2.96Å; E516-G519 PolarHBondContact O-N 3.06Å; G519-T564 VanDerWaalsContact O-CG2 3.23Å; G519-T564 WeakPolarHBondContact O-CG2 3.31Å
520L97.8Very high96.2Very high0 Ų043.9 Ų43.90%027%0.271CS..  trans-95.918.4-175.5-68.8175.7000113.2G515 L518 F522 L530 I550 V561 T564 L565G515-L520 WeakPolarHBondContact O-CA 3.39Å; G515-L520 PolarHBondContact O-N 2.76Å; L518-L520 HydrophobicContact CB-CB 4.46Å; L518-L520 HydrophobicContact CB-CD1 3.92Å; L518-L520 HydrophobicContact CB-CG 4.02Å; L518-L520 HydrophobicContact CD1-CD1 4.29Å; L518-L520 PolarHBondContact O-N 2.78Å; L520-F522 HydrophobicContact CD2-CD2 4.43Å; L520-F522 HydrophobicContact CD2-CE2 3.76Å; L520-F522 PolarHBondContact O-N 2.76Å; L520-L530 HydrophobicContact CB-CD1 4.26Å; L520-L530 HydrophobicContact CB-CD2 4.2Å; L520-L530 WeakPolarHBondContact O-CB 3.4Å; L520-L530 WeakPolarHBondContact O-CD1 2.97Å; L520-I550 HydrophobicContact CD1-CD1 3.91Å; L520-V561 HydrophobicContact CD2-CG1 4.13Å; L520-T564 HydrophobicContact CD2-CG2 3.76Å; L520-T564 HydrophobicContact CG-CG2 4.38Å; L520-L565 HydrophobicContact CD1-CB 4.29Å; L520-L565 HydrophobicContact CD1-CD1 4.19Å
521A97.4Very high96.2Very high58 Ų5844 Ų4448%0.47927%0.27SS..  trans-71.245.6-178.800000113.7H514 E516H514-A521 WeakPolarHBondContact O-CA 3.39Å; E516-A521 HydrophobicContact CB-CB 4.47Å; E516-A521 HydrophobicContact CG-CB 4.03Å
522F97.9Very high96.2Very high50 Ų5038.2 Ų38.222%0.21924%0.239CC..  trans-68.4145.3175.4-59.3-66.1000111L520 L530 P553 V556 E560 V561 T564L520-F522 HydrophobicContact CD2-CD2 4.43Å; L520-F522 HydrophobicContact CD2-CE2 3.76Å; L520-F522 PolarHBondContact O-N 2.76Å; F522-L530 HydrophobicContact CD2-CD1 3.93Å; F522-L530 PolarHBondContact O-N 2.76Å; F522-P553 HydrophobicContact CB-CG 4.16Å; F522-V556 HydrophobicContact CB-CG2 3.81Å; F522-V556 HydrophobicContact CD1-CG2 4.39Å; F522-V556 HydrophobicContact CD2-CG1 4.06Å; F522-V556 HydrophobicContact CE2-CG1 4.36Å; F522-V556 HydrophobicContact CG-CG1 4.18Å; F522-V556 HydrophobicContact CG-CG2 4.1Å; F522-E560 HydrophobicContact CZ-CB 4.44Å; F522-V561 HydrophobicContact CD2-CG2 4.38Å; F522-V561 HydrophobicContact CE2-CG2 4.22Å; F522-T564 HydrophobicContact CZ-CG2 4.43Å
523S97Very high96.2Very high78 Ų7835.4 Ų35.455%0.54523%0.226SC..EExtended strand (participates in β ladder)trans-154.4151.4174.362.10000112G528S523-G528 WeakPolarHBondContact CA-O 3.23Å
524D95.2Very high96.3Very high27 Ų2734.2 Ų34.214%0.14422%0.221CC..EExtended strand (participates in β ladder)trans-133170.7166.261.926.8000111.1D526 S527 G528 P553 V554 S555D524-D526 PolarHBondContact OD1-N 2.96Å; D524-S527 VanDerWaalsContact OD1-CA 3.23Å; D524-S527 WeakPolarHBondContact OD1-CA 3.39Å; D524-S527 WeakPolarHBondContact OD1-CB 3.48Å; D524-S527 PolarHBondContact OD1-N 2.96Å; D524-S527 PolarHBondContact OD1-OG 2.88Å; D524-S527 PolarHBondContact OD2-OG 3.07Å; D524-G528 PolarHBondContact N-O 3.4Å; D524-G528 VanDerWaalsContact O-CA 3.3Å; D524-G528 WeakPolarHBondContact O-CA 3.32Å; D524-G528 PolarHBondContact O-N 3.25Å; D524-G528 PolarHBondContact OD1-N 3.43Å; D524-G528 VanDerWaalsContact OD1-N 3.14Å; D524-P553 HydrophobicContact CB-CB 4.37Å; D524-P553 WeakPolarHBondContact OD2-CB 3.23Å; D524-V554 WeakPolarHBondContact OD2-CG2 3.24Å; D524-V554 PolarHBondContact OD2-N 3.18Å; D524-S555 WeakPolarHBondContact CB-OG 3.29Å; D524-S555 WeakPolarHBondContact OD2-CB 3.16Å; D524-S555 PolarHBondContact OD2-N 2.65Å; D524-S555 PolarHBondContact OD2-OG 2.84Å
525A92.4Very high96.3Very high109 Ų10932.8 Ų32.890%0.90121%0.214SC*.THydrogen-bonded Turntrans-71.3-31-179.300000112.9
526D89.1Confident96.3Very high44 Ų4435.3 Ų35.324%0.23523%0.226CC..THydrogen-bonded Turntrans-83.6-39.4-171.8-69.6-58.6000113.2Y415 D524 V554 K588 T612Y415-D526 HydrophobicContact CE2-CB 4.21Å; Y415-D526 VanDerWaalsContact OH-CB 3.24Å; Y415-D526 WeakPolarHBondContact OH-CB 3.39Å; Y415-D526 VanDerWaalsContact OH-CG 3.26Å; Y415-D526 PolarHBondContact OH-OD1 3.17Å; D524-D526 PolarHBondContact OD1-N 2.96Å; D526-V554 HydrophobicContact CB-CG2 4.37Å; D526-K588 IonicContact OD1-NZ 2.68Å; D526-K588 PolarHBondContact OD1-NZ 2.85Å; D526-T612 HydrophobicContact CB-CG2 4.32Å; D526-T612 WeakPolarHBondContact O-CG2 3.49Å; D526-T612 PolarHBondContact O-OG1 2.95Å
527S91.7Very high96.3Very high5 Ų531.6 Ų31.64%0.03521%0.208CC..THydrogen-bonded Turntrans-119.7-8-172.875.90000113.7R418 D524 P553 V554 T612R418-S527 PolarHBondContact NE-O 2.77Å; R418-S527 PolarHBondContact NH2-O 2.85Å; D524-S527 VanDerWaalsContact OD1-CA 3.23Å; D524-S527 WeakPolarHBondContact OD1-CA 3.39Å; D524-S527 WeakPolarHBondContact OD1-CB 3.48Å; D524-S527 PolarHBondContact OD1-N 2.96Å; D524-S527 PolarHBondContact OD1-OG 2.88Å; D524-S527 PolarHBondContact OD2-OG 3.07Å; S527-P553 WeakPolarHBondContact OG-CA 3.3Å; S527-P553 VanDerWaalsContact OG-CB 3.31Å; S527-P553 WeakPolarHBondContact OG-CB 3.39Å; S527-V554 PolarHBondContact OG-N 2.99Å; S527-T612 WeakPolarHBondContact CA-OG1 3.44Å
528G93.7Very high96.4Very high27 Ų2733.3 Ų33.328%0.27821%0.212SC..EExtended strand (participates in β ladder)trans80.6-152.6171.600000113.2S523 D524 P553S523-G528 WeakPolarHBondContact CA-O 3.23Å; D524-G528 PolarHBondContact N-O 3.4Å; D524-G528 VanDerWaalsContact O-CA 3.3Å; D524-G528 WeakPolarHBondContact O-CA 3.32Å; D524-G528 PolarHBondContact O-N 3.25Å; D524-G528 PolarHBondContact OD1-N 3.43Å; D524-G528 VanDerWaalsContact OD1-N 3.14Å; G528-P553 WeakPolarHBondContact O-CG 3.42Å
529K96.5Very high96.3Very high116 Ų11635.3 Ų35.350%0.50422%0.221SC..EExtended strand (participates in β ladder)trans-81.5147.6-174.2-59-179.1-178-179.70112.9R418 H514R418-K529 PolarHBondContact NH1-O 3.11Å; H514-K529 HydrophobicContact CB-CB 4.21Å; H514-K529 HydrophobicContact CB-CD 4.33Å
530L97Very high96.1Very high0 Ų037.3 Ų37.30%022%0.219CC..  trans-51.2151165.4-176.1141000110.6H514 L520 F522 I532 I550 R551 V561H514-L530 WeakPolarHBondContact CA-O 3.44Å; H514-L530 WeakPolarHBondContact CB-O 3.29Å; H514-L530 PolarHBondContact ND1-O 2.81Å; L520-L530 HydrophobicContact CB-CD1 4.26Å; L520-L530 HydrophobicContact CB-CD2 4.2Å; L520-L530 WeakPolarHBondContact O-CB 3.4Å; L520-L530 WeakPolarHBondContact O-CD1 2.97Å; F522-L530 HydrophobicContact CD2-CD1 3.93Å; F522-L530 PolarHBondContact O-N 2.76Å; L530-I532 HydrophobicContact CD2-CB 4.31Å; L530-I550 HydrophobicContact CD1-CG2 3.74Å; L530-I550 HydrophobicContact CD2-CG2 4.1Å; L530-I550 HydrophobicContact CG-CG2 3.97Å; L530-R551 WeakPolarHBondContact CA-O 3.45Å; L530-V561 HydrophobicContact CD1-CG2 4.35Å
531M96.7Very high95.6Very high12 Ų1244.5 Ų44.56%0.05926%0.257CS..EExtended strand (participates in β ladder)trans-128.5137.5171.2-63.1-177.9-68.700110.1N472 H513 I550 R551 T614N472-M531 HydrophobicContact CB-CE 4.47Å; N472-M531 WeakPolarHBondContact O-CE 3.04Å; H513-M531 WeakPolarHBondContact O-CA 3.22Å; M531-I550 CarbonylContact O-C 3.55Å; M531-I550 VanDerWaalsContact O-CA 3.31Å; M531-I550 WeakPolarHBondContact O-CA 3.37Å; M531-R551 HydrophobicContact CE-CB 4.22Å; M531-R551 PolarHBondContact N-O 2.9Å; M531-R551 PolarHBondContact O-N 3.11Å; M531-T614 HydrophobicContact CE-CG2 3.44Å; M531-T614 VanDerWaalsContact CE-CG2 3.44Å
532I97.7Very high95.3Very high3 Ų346.3 Ų46.32%0.01526%0.256CS..EExtended strand (participates in β ladder)trans-127.4138.6175.3-175166.3000110.5L509 Q512 H513 L518 L530 V548 A549 I550L509-I532 HydrophobicContact CD2-CD1 3.71Å; L509-I532 HydrophobicContact CD2-CG1 4.2Å; L509-I532 HydrophobicContact CD2-CG2 4.48Å; Q512-I532 WeakPolarHBondContact O-CG2 3.26Å; H513-I532 PolarHBondContact O-N 2.91Å; L518-I532 HydrophobicContact CD1-CD1 3.61Å; L530-I532 HydrophobicContact CD2-CB 4.31Å; I532-V548 HydrophobicContact CD1-CB 4.28Å; I532-V548 HydrophobicContact CD1-CG1 4.42Å; I532-V548 HydrophobicContact CG1-CB 4.28Å; I532-A549 CarbonylContact C-O 3.49Å; I532-A549 WeakPolarHBondContact CA-O 3.37Å; I532-I550 HydrophobicContact CB-CG1 4.17Å; I532-I550 HydrophobicContact CD1-CD1 3.94Å; I532-I550 HydrophobicContact CD1-CG1 3.97Å; I532-I550 HydrophobicContact CG1-CD1 4.36Å; I532-I550 HydrophobicContact CG1-CG1 3.82Å
533T98Very high95.3Very high0 Ų046.1 Ų46.10%026%0.256CS..EExtended strand (participates in β ladder)trans-135.3111.4175.5-55.50000109.8V449 S471 P474 Y535 V548 A549V449-T533 HydrophobicContact CG2-CG2 3.85Å; S471-T533 PolarHBondContact O-OG1 3.04Å; P474-T533 WeakPolarHBondContact CB-OG1 3.38Å; T533-Y535 PolarHBondContact O-N 3.34Å; T533-V548 CarbonylContact O-C 3.57Å; T533-V548 WeakPolarHBondContact O-CA 3.4Å; T533-A549 PolarHBondContact N-O 3.07Å; T533-A549 PolarHBondContact O-N 2.71Å
534P98.3Very high95.3Very high7 Ų742.4 Ų42.45%0.04523%0.23CC..EExtended strand (participates in β ladder)trans-68.6121.6162.725.4-24.4000108.2P450 N479 I481 L509 L546 V548P450-P534 WeakPolarHBondContact CD-O 3.25Å; N479-P534 WeakPolarHBondContact ND2-CG 3.18Å; N479-P534 PolarHBondContact ND2-O 2.98Å; I481-P534 HydrophobicContact CD1-CB 4.11Å; L509-P534 HydrophobicContact CB-CG 4.29Å; L509-P534 HydrophobicContact CD1-CB 4.16Å; L509-P534 HydrophobicContact CD1-CG 4.13Å; P534-L546 HydrophobicContact CB-CD1 4.04Å; P534-V548 HydrophobicContact CB-CG1 4.2Å
535Y97.8Very high95.4Very high12 Ų1241.2 Ų41.25%0.04722%0.223CC..EExtended strand (participates in β ladder)trans-118.4-17.2-172.666.1-98.4000113.7Q444 R446 T533 S547 V548 A549Q444-Y535 WeakPolarHBondContact CB-O 3.21Å; R446-Y535 HydrophobicContact CB-CD2 4.09Å; R446-Y535 HydrophobicContact CB-CE1 4.47Å; R446-Y535 HydrophobicContact CB-CE2 3.97Å; R446-Y535 HydrophobicContact CB-CG 4.39Å; T533-Y535 PolarHBondContact O-N 3.34Å; Y535-S547 WeakPolarHBondContact CD1-O 3.13Å; Y535-S547 PolarHBondContact N-O 2.82Å; Y535-S547 WeakPolarHBondContact OH-CB 3.22Å; Y535-V548 VanDerWaalsContact CE1-C 3.43Å; Y535-A549 HydrophobicContact CD1-CB 3.81Å; Y535-A549 HydrophobicContact CE1-CB 3.97Å
536E98.5Very high95.7Very high53 Ų5336 Ų3625%0.24818%0.18CC..EExtended strand (participates in β ladder)trans-150135.3179.4-176.9176.5-115.700110.7Q444 I538 L546 S547Q444-E536 HydrophobicContact CB-CB 4.16Å; Q444-E536 HydrophobicContact CB-CG 4.14Å; E536-I538 HydrophobicContact CG-CD1 3.54Å; E536-I538 HydrophobicContact CG-CG1 3.73Å; E536-I538 WeakPolarHBondContact OE1-CD1 3.37Å; E536-L546 WeakPolarHBondContact O-CA 3.32Å; E536-S547 PolarHBondContact N-O 3.33Å; E536-S547 PolarHBondContact O-N 2.91Å
537L98.6Very high96.2Very high2 Ų234 Ų341%0.0117%0.17CC..EExtended strand (participates in β ladder)trans-128.5121.1169.3-18063.9000108.3F440 Q444 I481 F502 L505 L544 A545 L546F440-L537 VanDerWaalsContact CB-O 3.3Å; F440-L537 WeakPolarHBondContact CB-O 3.49Å; F440-L537 HydrophobicContact CD1-CD2 4.02Å; F440-L537 HydrophobicContact CD1-CG 4.4Å; F440-L537 HydrophobicContact CD2-CD2 4.36Å; F440-L537 HydrophobicContact CD2-CG 3.99Å; F440-L537 HydrophobicContact CE1-CD2 3.59Å; F440-L537 HydrophobicContact CE1-CG 4.27Å; F440-L537 HydrophobicContact CE2-CD2 3.98Å; F440-L537 HydrophobicContact CE2-CG 3.86Å; F440-L537 HydrophobicContact CG-CD2 4.39Å; F440-L537 HydrophobicContact CG-CG 4.27Å; F440-L537 HydrophobicContact CZ-CD2 3.57Å; F440-L537 HydrophobicContact CZ-CG 4Å; Q444-L537 PolarHBondContact NE2-O 2.96Å; I481-L537 HydrophobicContact CD1-CB 4.21Å; I481-L537 HydrophobicContact CG1-CB 4.26Å; I481-L537 HydrophobicContact CG2-CB 4.17Å; I481-L537 HydrophobicContact CG2-CD2 4.04Å; F502-L537 HydrophobicContact CE1-CD2 4.47Å; L505-L537 HydrophobicContact CD1-CD2 4.48Å; L537-L544 HydrophobicContact CD1-CB 4.41Å; L537-A545 WeakPolarHBondContact CA-O 3.36Å; L537-L546 HydrophobicContact CB-CD1 4.46Å; L537-L546 HydrophobicContact CD1-CB 4.24Å; L537-L546 HydrophobicContact CD1-CD1 4.29Å
538I97.8Very high96.5Very high57 Ų5733.8 Ų33.829%0.29217%0.169SC..EExtended strand (participates in β ladder)trans-132.3145.3-177.8-66.4169.6000110.1E536 K540 A545E536-I538 HydrophobicContact CG-CD1 3.54Å; E536-I538 HydrophobicContact CG-CG1 3.73Å; E536-I538 WeakPolarHBondContact OE1-CD1 3.37Å; I538-K540 HydrophobicContact CG2-CG 4.28Å; I538-A545 PolarHBondContact N-O 3.44Å; I538-A545 PolarHBondContact O-N 3.13Å
539K96.8Very high96.6Very high44 Ų4432.6 Ų32.619%0.19116%0.156CC..EExtended strand (participates in β ladder)trans-87.9128168-175.5-174.8176.7-172.80110.1L434 L437 L544L434-K539 WeakPolarHBondContact O-CE 3.34Å; L434-K539 PolarHBondContact O-NZ 2.74Å; L437-K539 WeakPolarHBondContact O-CD 3.39Å; L437-K539 PolarHBondContact O-NZ 3.42Å; K539-L544 HydrophobicContact CB-CD2 4Å; K539-L544 HydrophobicContact CG-CD2 4.13Å
540K92.8Very high96.6Very high79 Ų7927.1 Ų27.134%0.34313%0.132SC..EExtended strand (participates in β ladder)trans-124.496.9175.1-63.3-175.7-173.1175.80109.1E424 L426 I538 Q542 Q543 A545E424-K540 IonicContact OE1-NZ 3.16Å; E424-K540 PolarHBondContact OE1-NZ 3.43Å; E424-K540 IonicContact OE2-NZ 2.68Å; E424-K540 PolarHBondContact OE2-NZ 3.02Å; L426-K540 HydrophobicContact CD2-CD 4.15Å; I538-K540 HydrophobicContact CG2-CG 4.28Å; K540-Q542 PolarHBondContact O-N 2.94Å; K540-Q543 PolarHBondContact N-O 3.47Å; K540-Q543 PolarHBondContact O-N 2.87Å; K540-A545 HydrophobicContact CD-CB 4.06Å; K540-A545 HydrophobicContact CG-CB 4.39Å
541D87.6Confident96.6Very high151 Ų15128.7 Ų28.781%0.80714%0.138SC*.THydrogen-bonded Turntrans48.1-99.2-177.1-63.3-36000113.6
542Q91.1Very high96.5Very high96 Ų9628.2 Ų28.245%0.44914%0.136SC..THydrogen-bonded Turntrans-100.615.1-179.7-65.4-177.390.100113.6F429 L434 K540F429-Q542 PolarHBondContact N-O 3.3Å; L434-Q542 WeakPolarHBondContact CD1-O 3.2Å; K540-Q542 PolarHBondContact O-N 2.94Å
543Q96.3Very high96.5Very high47 Ų4728.1 Ų28.122%0.2214%0.135CC..EExtended strand (participates in β ladder)trans-132.7154.3-176.2-57.2-174.3-53.200112.1T427 T428 K540T427-Q543 CarbonylContact O-C 3.5Å; T427-Q543 WeakPolarHBondContact O-CA 3.24Å; T427-Q543 WeakPolarHBondContact O-CB 3.28Å; T428-Q543 HydrophobicContact CG2-CG 4.38Å; T428-Q543 PolarHBondContact OG1-NE2 2.95Å; K540-Q543 PolarHBondContact N-O 3.47Å; K540-Q543 PolarHBondContact O-N 2.87Å
544L97.7Very high96.3Very high0 Ų028.8 Ų28.80%014%0.139CC..EExtended strand (participates in β ladder)trans-107.1132.5161.4-60.9-175.4000109.5L426 T427 F429 L434 L437 F440 L498 Y501 L537 K539L426-L544 WeakPolarHBondContact CA-O 3.47Å; T427-L544 PolarHBondContact N-O 2.94Å; T427-L544 PolarHBondContact O-N 3.02Å; F429-L544 HydrophobicContact CD2-CG 4.12Å; F429-L544 HydrophobicContact CE2-CB 3.81Å; F429-L544 HydrophobicContact CE2-CD1 3.86Å; F429-L544 HydrophobicContact CE2-CG 3.61Å; F429-L544 HydrophobicContact CZ-CD1 4.14Å; F429-L544 HydrophobicContact CZ-CG 4.37Å; L434-L544 HydrophobicContact CD2-CD2 3.98Å; L434-L544 HydrophobicContact CD2-CG 4.15Å; L437-L544 HydrophobicContact CD2-CD1 4.36Å; L437-L544 HydrophobicContact CD2-CD2 3.87Å; F440-L544 HydrophobicContact CE2-CD2 3.98Å; L498-L544 HydrophobicContact CD1-CD1 3.71Å; Y501-L544 HydrophobicContact CD1-CD1 3.9Å; Y501-L544 HydrophobicContact CE1-CB 4.32Å; Y501-L544 HydrophobicContact CE1-CD1 3.66Å; L537-L544 HydrophobicContact CD1-CB 4.41Å; K539-L544 HydrophobicContact CB-CD2 4Å; K539-L544 HydrophobicContact CG-CD2 4.13Å
545A98Very high96.1Very high1 Ų132.4 Ų32.41%0.00816%0.164CC..EExtended strand (participates in β ladder)trans-105.8110.1176.500000109.1E424 I425 L426 L537 I538 K540E424-A545 HydrophobicContact CG-CB 4.14Å; I425-A545 WeakPolarHBondContact O-CA 3.36Å; L426-A545 HydrophobicContact CD2-CB 3.49Å; L426-A545 VanDerWaalsContact CD2-CB 3.49Å; L537-A545 WeakPolarHBondContact CA-O 3.36Å; I538-A545 PolarHBondContact N-O 3.44Å; I538-A545 PolarHBondContact O-N 3.13Å; K540-A545 HydrophobicContact CD-CB 4.06Å; K540-A545 HydrophobicContact CG-CB 4.39Å
546L98.5Very high96Very high0 Ų032.2 Ų32.20%017%0.165CC..EExtended strand (participates in β ladder)trans-101.3119.8170.9177.476.2000109.4I425 I481 Y501 W504 L505 L509 P534 E536 L537 V548I425-L546 HydrophobicContact CB-CB 4.41Å; I425-L546 HydrophobicContact CD1-CD2 4.24Å; I425-L546 PolarHBondContact N-O 2.62Å; I425-L546 PolarHBondContact O-N 2.76Å; I481-L546 HydrophobicContact CD1-CD1 4.46Å; I481-L546 HydrophobicContact CG2-CD1 4.1Å; Y501-L546 WeakPolarHBondContact OH-CB 3.35Å; W504-L546 HydrophobicContact CH2-CD2 4.08Å; W504-L546 HydrophobicContact CZ3-CD2 3.95Å; L505-L546 HydrophobicContact CD2-CD1 3.98Å; L505-L546 HydrophobicContact CD2-CD2 3.52Å; L505-L546 HydrophobicContact CD2-CG 4.31Å; L509-L546 HydrophobicContact CD1-CD2 3.78Å; P534-L546 HydrophobicContact CB-CD1 4.04Å; E536-L546 WeakPolarHBondContact O-CA 3.32Å; L537-L546 HydrophobicContact CB-CD1 4.46Å; L537-L546 HydrophobicContact CD1-CB 4.24Å; L537-L546 HydrophobicContact CD1-CD1 4.29Å; L546-V548 HydrophobicContact CD2-CG1 3.99Å; L546-V548 HydrophobicContact CG-CG1 4.1Å
547S98.6Very high95.9Very high2 Ų233.1 Ų33.11%0.01417%0.174CC..EExtended strand (participates in β ladder)trans-102127.6175-58.50000111.3Y423 Y535 E536Y423-S547 CarbonylContact O-C 3.57Å; Y423-S547 VanDerWaalsContact O-CA 3.25Å; Y423-S547 WeakPolarHBondContact O-CA 3.35Å; Y535-S547 WeakPolarHBondContact CD1-O 3.13Å; Y535-S547 PolarHBondContact N-O 2.82Å; Y535-S547 WeakPolarHBondContact OH-CB 3.22Å; E536-S547 PolarHBondContact N-O 3.33Å; E536-S547 PolarHBondContact O-N 2.91Å
548V98.2Very high95.8Very high1 Ų134.9 Ų34.91%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-121.5138.9-178.4-61.70000110.6N422 Y423 I425 I532 T533 P534 Y535 L546N422-V548 CarbonylContact C-O 3.59Å; N422-V548 WeakPolarHBondContact CA-O 3.36Å; Y423-V548 HydrophobicContact CD2-CG2 4.23Å; Y423-V548 PolarHBondContact N-O 3.14Å; Y423-V548 PolarHBondContact O-N 2.71Å; I425-V548 HydrophobicContact CD1-CG2 4.37Å; I532-V548 HydrophobicContact CD1-CB 4.28Å; I532-V548 HydrophobicContact CD1-CG1 4.42Å; I532-V548 HydrophobicContact CG1-CB 4.28Å; T533-V548 CarbonylContact O-C 3.57Å; T533-V548 WeakPolarHBondContact O-CA 3.4Å; P534-V548 HydrophobicContact CB-CG1 4.2Å; Y535-V548 VanDerWaalsContact CE1-C 3.43Å; L546-V548 HydrophobicContact CD2-CG1 3.99Å; L546-V548 HydrophobicContact CG-CG1 4.1Å
549A96.8Very high95.7Very high2 Ų234.8 Ų34.82%0.01719%0.19CC..EExtended strand (participates in β ladder)trans-105.5124.9172.100000108.8I532 T533 Y535I532-A549 CarbonylContact C-O 3.49Å; I532-A549 WeakPolarHBondContact CA-O 3.37Å; T533-A549 PolarHBondContact N-O 3.07Å; T533-A549 PolarHBondContact O-N 2.71Å; Y535-A549 HydrophobicContact CD1-CB 3.81Å; Y535-A549 HydrophobicContact CE1-CB 3.97Å
550I96.5Very high95.8Very high0 Ų037 Ų370%020%0.201CC..EExtended strand (participates in β ladder)trans-118134.3-179.9-64.4179000109.8I420 V421 Y423 L520 L530 M531 I532 Y552 V561 L565I420-I550 WeakPolarHBondContact CA-O 3.37Å; V421-I550 HydrophobicContact CG1-CB 4.07Å; V421-I550 HydrophobicContact CG1-CG2 4.32Å; V421-I550 PolarHBondContact N-O 3.43Å; V421-I550 WeakPolarHBondContact O-CA 3.1Å; V421-I550 WeakPolarHBondContact O-CB 3.16Å; V421-I550 PolarHBondContact O-N 2.67Å; Y423-I550 HydrophobicContact CD2-CD1 4.06Å; Y423-I550 HydrophobicContact CE2-CD1 3.96Å; L520-I550 HydrophobicContact CD1-CD1 3.91Å; L530-I550 HydrophobicContact CD1-CG2 3.74Å; L530-I550 HydrophobicContact CD2-CG2 4.1Å; L530-I550 HydrophobicContact CG-CG2 3.97Å; M531-I550 CarbonylContact O-C 3.55Å; M531-I550 VanDerWaalsContact O-CA 3.31Å; M531-I550 WeakPolarHBondContact O-CA 3.37Å; I532-I550 HydrophobicContact CB-CG1 4.17Å; I532-I550 HydrophobicContact CD1-CD1 3.94Å; I532-I550 HydrophobicContact CD1-CG1 3.97Å; I532-I550 HydrophobicContact CG1-CD1 4.36Å; I532-I550 HydrophobicContact CG1-CG1 3.82Å; I550-Y552 HydrophobicContact CG2-CD1 4.49Å; I550-V561 HydrophobicContact CD1-CG1 4.1Å; I550-V561 HydrophobicContact CG2-CG1 4.18Å; I550-L565 HydrophobicContact CD1-CD2 4.46Å
551R95.9Very high96Very high33 Ų3333.2 Ų33.213%0.12518%0.184CC..EExtended strand (participates in β ladder)trans-117.9111.2167.6-61.5-175.3-178.973.9-5.9109.2G419 I420 S471 N472 L530 M531G419-R551 CarbonylContact O-C 3.55Å; G419-R551 VanDerWaalsContact O-CA 3.24Å; G419-R551 WeakPolarHBondContact O-CA 3.3Å; I420-R551 HydrophobicContact CG1-CG 4.27Å; S471-R551 PolarHBondContact O-NH1 3.41Å; S471-R551 PolarHBondContact OG-NH1 3.22Å; S471-R551 PolarHBondContact OG-NH2 3.11Å; N472-R551 VanDerWaalsContact CB-CZ 3.48Å; L530-R551 WeakPolarHBondContact CA-O 3.45Å; M531-R551 HydrophobicContact CE-CB 4.22Å; M531-R551 PolarHBondContact N-O 2.9Å; M531-R551 PolarHBondContact O-N 3.11Å
552Y96.1Very high96.5Very high3 Ų326.8 Ų26.81%0.01215%0.151CC..EExtended strand (participates in β ladder)trans-104.9152.6-173.458.7-95.9000112.4R418 G419 V421 I550 V556 V561R418-Y552 WeakPolarHBondContact CA-O 3.16Å; R418-Y552 VanDerWaalsContact CB-O 3.28Å; R418-Y552 WeakPolarHBondContact CB-O 3.46Å; G419-Y552 PolarHBondContact N-O 3.12Å; G419-Y552 WeakPolarHBondContact O-CD1 3.43Å; G419-Y552 PolarHBondContact O-N 3.42Å; V421-Y552 HydrophobicContact CB-CE1 4.31Å; V421-Y552 HydrophobicContact CG1-CD1 4.03Å; V421-Y552 HydrophobicContact CG1-CE1 3.95Å; I550-Y552 HydrophobicContact CG2-CD1 4.49Å; Y552-V556 HydrophobicContact CD2-CB 4.09Å; Y552-V556 HydrophobicContact CD2-CG1 4.31Å; Y552-V556 VanDerWaalsContact CD2-O 3.31Å; Y552-V556 WeakPolarHBondContact CD2-O 3.32Å; Y552-V556 WeakPolarHBondContact CE2-O 3.36Å; Y552-V561 HydrophobicContact CD1-CG2 4.02Å; Y552-V561 HydrophobicContact CG-CG2 3.89Å
553P96.4Very high96.8Very high0 Ų026.2 Ų26.20%015%0.151CC..  trans-57.1154.4-178.5-22.131.9000113.3F522 D524 S527 G528 S555 V556F522-P553 HydrophobicContact CB-CG 4.16Å; D524-P553 HydrophobicContact CB-CB 4.37Å; D524-P553 WeakPolarHBondContact OD2-CB 3.23Å; S527-P553 WeakPolarHBondContact OG-CA 3.3Å; S527-P553 VanDerWaalsContact OG-CB 3.31Å; S527-P553 WeakPolarHBondContact OG-CB 3.39Å; G528-P553 WeakPolarHBondContact O-CG 3.42Å; P553-S555 PolarHBondContact O-N 3.3Å; P553-V556 HydrophobicContact CB-CG2 4.01Å; P553-V556 HydrophobicContact CG-CG2 4.08Å; P553-V556 PolarHBondContact O-N 2.87Å; P553-V556 VanDerWaalsContact O-N 3.07Å
554V93.5Very high96.9Very high15 Ų1525.1 Ų25.19%0.09115%0.148CC..THydrogen-bonded Turntrans-63.9-27.1-176.9-650000112.5D524 D526 S527 V556 Y585D524-V554 WeakPolarHBondContact OD2-CG2 3.24Å; D524-V554 PolarHBondContact OD2-N 3.18Å; D526-V554 HydrophobicContact CB-CG2 4.37Å; S527-V554 PolarHBondContact OG-N 2.99Å; V554-V556 VanDerWaalsContact C-N 3.27Å; V554-V556 PolarHBondContact O-N 2.64Å; V554-Y585 HydrophobicContact CB-CD2 4.4Å; V554-Y585 HydrophobicContact CG2-CD2 3.93Å
555S94.4Very high96.9Very high82 Ų8225.1 Ų25.157%0.57315%0.148SC*.THydrogen-bonded Turntrans-78-4.7176.3790000114.8D524 P553D524-S555 WeakPolarHBondContact CB-OG 3.29Å; D524-S555 WeakPolarHBondContact OD2-CB 3.16Å; D524-S555 PolarHBondContact OD2-N 2.65Å; D524-S555 PolarHBondContact OD2-OG 2.84Å; P553-S555 PolarHBondContact O-N 3.3Å
556V95.9Very high96.9Very high9 Ų930.6 Ų30.66%0.05517%0.171CC..SBendtrans-109.2148.5-173.5179.70000110F522 Y552 P553 V554 E560 V561F522-V556 HydrophobicContact CB-CG2 3.81Å; F522-V556 HydrophobicContact CD1-CG2 4.39Å; F522-V556 HydrophobicContact CD2-CG1 4.06Å; F522-V556 HydrophobicContact CE2-CG1 4.36Å; F522-V556 HydrophobicContact CG-CG1 4.18Å; F522-V556 HydrophobicContact CG-CG2 4.1Å; Y552-V556 HydrophobicContact CD2-CB 4.09Å; Y552-V556 HydrophobicContact CD2-CG1 4.31Å; Y552-V556 VanDerWaalsContact CD2-O 3.31Å; Y552-V556 WeakPolarHBondContact CD2-O 3.32Å; Y552-V556 WeakPolarHBondContact CE2-O 3.36Å; P553-V556 HydrophobicContact CB-CG2 4.01Å; P553-V556 HydrophobicContact CG-CG2 4.08Å; P553-V556 PolarHBondContact O-N 2.87Å; P553-V556 VanDerWaalsContact O-N 3.07Å; V554-V556 VanDerWaalsContact C-N 3.27Å; V554-V556 PolarHBondContact O-N 2.64Å; V556-E560 HydrophobicContact CG1-CB 4.24Å; V556-V561 HydrophobicContact CG1-CG2 3.86Å
557T95.9Very high96.8Very high71 Ų7138.2 Ų38.244%0.43620%0.204SC..  trans-101154.2177.367.10000113A559 E560 V561T557-A559 PolarHBondContact O-N 2.94Å; T557-E560 WeakPolarHBondContact CB-OE2 3.39Å; T557-E560 PolarHBondContact N-OE2 3.03Å; T557-E560 PolarHBondContact O-N 2.97Å; T557-E560 VanDerWaalsContact OG1-CG 3.3Å; T557-E560 WeakPolarHBondContact OG1-CG 3.31Å; T557-E560 PolarHBondContact OG1-N 2.81Å; T557-E560 PolarHBondContact OG1-OE2 3.07Å; T557-V561 PolarHBondContact O-N 2.88Å
558E96.1Very high96.8Very high39 Ų3941.7 Ų41.718%0.18222%0.22CC..Hα-helixtrans-56.3-35.5172.2-177.8-172.3145.100111.6V421 V561 T562 R580V421-E558 HydrophobicContact CB-CG 4.33Å; V421-E558 HydrophobicContact CG2-CG 4.13Å; E558-V561 PolarHBondContact O-N 2.81Å; E558-T562 WeakPolarHBondContact O-CB 3.21Å; E558-T562 PolarHBondContact O-N 3.48Å; E558-T562 PolarHBondContact O-OG1 2.81Å; E558-R580 IonicContact OE1-CZ 3.31Å; E558-R580 IonicContact OE1-NE 3.23Å; E558-R580 IonicContact OE1-NH1 3.81Å; E558-R580 PolarHBondContact OE1-NH1 2.86Å; E558-R580 IonicContact OE2-NH1 2.95Å
559A97.4Very high96.7Very high56 Ų5643.1 Ų43.146%0.46323%0.227SC..Hα-helixtrans-63.6-46.4179.100000111.7T557 V561 T562 D563T557-A559 PolarHBondContact O-N 2.94Å; A559-V561 VanDerWaalsContact C-N 3.33Å; A559-V561 PolarHBondContact O-N 2.79Å; A559-T562 PolarHBondContact O-N 3.2Å; A559-D563 WeakPolarHBondContact O-CB 3.22Å; A559-D563 PolarHBondContact O-N 3.25Å
560E97.7Very high96.7Very high89 Ų8943.7 Ų43.742%0.41623%0.231SC..Hα-helixtrans-60.8-41.9176-71.9164.9116.900112.1F522 V556 T557 T564F522-E560 HydrophobicContact CZ-CB 4.44Å; V556-E560 HydrophobicContact CG1-CB 4.24Å; T557-E560 WeakPolarHBondContact CB-OE2 3.39Å; T557-E560 PolarHBondContact N-OE2 3.03Å; T557-E560 PolarHBondContact O-N 2.97Å; T557-E560 VanDerWaalsContact OG1-CG 3.3Å; T557-E560 WeakPolarHBondContact OG1-CG 3.31Å; T557-E560 PolarHBondContact OG1-N 2.81Å; T557-E560 PolarHBondContact OG1-OE2 3.07Å; E560-T564 VanDerWaalsContact O-CB 3.23Å; E560-T564 WeakPolarHBondContact O-CB 3.13Å; E560-T564 PolarHBondContact O-N 2.75Å; E560-T564 VanDerWaalsContact O-N 3.09Å; E560-T564 PolarHBondContact O-OG1 3.38Å
561V98Very high96.5Very high0 Ų049 Ų490%027%0.266CS..Hα-helixtrans-62.5-49174.4176.10000110.6V421 Y423 L520 F522 L530 I550 Y552 V556 T557 E558 A559 T564 L565V421-V561 HydrophobicContact CG1-CG1 4.06Å; Y423-V561 HydrophobicContact CE2-CG1 4.2Å; L520-V561 HydrophobicContact CD2-CG1 4.13Å; F522-V561 HydrophobicContact CD2-CG2 4.38Å; F522-V561 HydrophobicContact CE2-CG2 4.22Å; L530-V561 HydrophobicContact CD1-CG2 4.35Å; I550-V561 HydrophobicContact CD1-CG1 4.1Å; I550-V561 HydrophobicContact CG2-CG1 4.18Å; Y552-V561 HydrophobicContact CD1-CG2 4.02Å; Y552-V561 HydrophobicContact CG-CG2 3.89Å; V556-V561 HydrophobicContact CG1-CG2 3.86Å; T557-V561 PolarHBondContact O-N 2.88Å; E558-V561 PolarHBondContact O-N 2.81Å; A559-V561 VanDerWaalsContact C-N 3.33Å; A559-V561 PolarHBondContact O-N 2.79Å; V561-T564 PolarHBondContact O-N 3.27Å; V561-L565 VanDerWaalsContact O-CB 3.3Å; V561-L565 WeakPolarHBondContact O-CB 3.34Å; V561-L565 PolarHBondContact O-N 2.7Å
562T98.1Very high96.1Very high17 Ų1754.9 Ų54.910%0.10429%0.294CS..Hα-helixtrans-61-48.9-177.9-57.80000111.3Y423 E558 A559 T564 L565 K566 L575Y423-T562 HydrophobicContact CE1-CG2 4.49Å; Y423-T562 PolarHBondContact OH-OG1 2.9Å; E558-T562 WeakPolarHBondContact O-CB 3.21Å; E558-T562 PolarHBondContact O-N 3.48Å; E558-T562 PolarHBondContact O-OG1 2.81Å; A559-T562 PolarHBondContact O-N 3.2Å; T562-T564 VanDerWaalsContact C-N 3.32Å; T562-T564 PolarHBondContact O-N 2.8Å; T562-L565 PolarHBondContact O-N 3.26Å; T562-K566 HydrophobicContact CG2-CD 4.2Å; T562-K566 WeakPolarHBondContact O-CG 3.42Å; T562-K566 PolarHBondContact O-N 3.24Å; T562-L575 HydrophobicContact CG2-CD2 4.14Å
563D97.9Very high96.2Very high83 Ų8356 Ų5644%0.44430%0.302SS..Hα-helixtrans-70.9-31-175-71.5-17.1000112A559 K567A559-D563 WeakPolarHBondContact O-CB 3.22Å; A559-D563 PolarHBondContact O-N 3.25Å; D563-K567 WeakPolarHBondContact O-CD 3.43Å; D563-K567 WeakPolarHBondContact O-CE 3.48Å; D563-K567 WeakPolarHBondContact O-CG 3.36Å
564T98Very high96.2Very high25 Ų2561.7 Ų61.715%0.15333%0.329CS..Hα-helixtrans-73.6-42.8174.1-57.20000111.3G519 L520 F522 E560 V561 T562 K566 K567 H568G519-T564 VanDerWaalsContact O-CG2 3.23Å; G519-T564 WeakPolarHBondContact O-CG2 3.31Å; L520-T564 HydrophobicContact CD2-CG2 3.76Å; L520-T564 HydrophobicContact CG-CG2 4.38Å; F522-T564 HydrophobicContact CZ-CG2 4.43Å; E560-T564 VanDerWaalsContact O-CB 3.23Å; E560-T564 WeakPolarHBondContact O-CB 3.13Å; E560-T564 PolarHBondContact O-N 2.75Å; E560-T564 VanDerWaalsContact O-N 3.09Å; E560-T564 PolarHBondContact O-OG1 3.38Å; V561-T564 PolarHBondContact O-N 3.27Å; T562-T564 VanDerWaalsContact C-N 3.32Å; T562-T564 PolarHBondContact O-N 2.8Å; T564-K566 PolarHBondContact O-N 2.86Å; T564-K567 PolarHBondContact O-N 3.12Å; T564-H568 PolarHBondContact O-ND1 2.93Å
565L97.9Very high96.4Very high0 Ų062.7 Ų62.70%033%0.334CS..Hα-helixtrans-60.6-46176.8179.955.3000111.5Y423 L518 L520 I550 V561 T562 K567 H568 L569 L575Y423-L565 HydrophobicContact CD2-CD2 3.57Å; Y423-L565 HydrophobicContact CE2-CD2 3.79Å; Y423-L565 HydrophobicContact CG-CD2 4.02Å; L518-L565 HydrophobicContact CD1-CD1 3.97Å; L518-L565 HydrophobicContact CD2-CD1 4.17Å; L518-L565 HydrophobicContact CG-CD1 4.47Å; L520-L565 HydrophobicContact CD1-CB 4.29Å; L520-L565 HydrophobicContact CD1-CD1 4.19Å; I550-L565 HydrophobicContact CD1-CD2 4.46Å; V561-L565 VanDerWaalsContact O-CB 3.3Å; V561-L565 WeakPolarHBondContact O-CB 3.34Å; V561-L565 PolarHBondContact O-N 2.7Å; T562-L565 PolarHBondContact O-N 3.26Å; L565-K567 PolarHBondContact O-N 3.09Å; L565-K567 VanDerWaalsContact O-N 3.12Å; L565-H568 PolarHBondContact O-N 3.17Å; L565-L569 HydrophobicContact CD1-CD2 3.88Å; L565-L569 HydrophobicContact CG-CD2 4.06Å; L565-L569 WeakPolarHBondContact O-CG 3.19Å; L565-L569 PolarHBondContact O-N 3.46Å; L565-L575 HydrophobicContact CD2-CD1 3.78Å; L565-L575 HydrophobicContact CD2-CD2 4.05Å; L565-L575 HydrophobicContact CG-CD1 4.38Å; L565-L575 HydrophobicContact CG-CD2 4.33Å
566K97.3Very high96.5Very high115 Ų11562 Ų6250%0.533%0.327SS..Hα-helixtrans-55-31.3178.9-78.8173.8179.9169.90114T562 T564 H568 L575T562-K566 HydrophobicContact CG2-CD 4.2Å; T562-K566 WeakPolarHBondContact O-CG 3.42Å; T562-K566 PolarHBondContact O-N 3.24Å; T564-K566 PolarHBondContact O-N 2.86Å; K566-H568 PolarHBondContact O-N 3.47Å; K566-L575 HydrophobicContact CG-CD2 3.97Å
567K97Very high96.5Very high160 Ų16063.5 Ų63.570%0.69634%0.336SS*.THydrogen-bonded Turntrans-73.6-15.2179.3-65.9165.4-170167.70113.4D563 T564 L565D563-K567 WeakPolarHBondContact O-CD 3.43Å; D563-K567 WeakPolarHBondContact O-CE 3.48Å; D563-K567 WeakPolarHBondContact O-CG 3.36Å; T564-K567 PolarHBondContact O-N 3.12Å; L565-K567 PolarHBondContact O-N 3.09Å; L565-K567 VanDerWaalsContact O-N 3.12Å
568H97.2Very high96.4Very high75 Ų7563.6 Ų63.635%0.34734%0.336SS..THydrogen-bonded Turntrans-116.25.3-173.9-64.188.4000113.2W504 L518 T564 L565 K566W504-H568 PolarHBondContact NE1-O 3.01Å; L518-H568 HydrophobicContact CD2-CB 3.88Å; L518-H568 PolarHBondContact O-CE1 3.32Å; L518-H568 PolarHBondContact O-ND1 2.95Å; T564-H568 PolarHBondContact O-ND1 2.93Å; L565-H568 PolarHBondContact O-N 3.17Å; K566-H568 PolarHBondContact O-N 3.47Å
569L97.1Very high96.2Very high31 Ų3166.7 Ų66.716%0.16235%0.346CS..SBendtrans-74154.1178-62.4-179000111.6I425 W504 L565 L575I425-L569 HydrophobicContact CD1-CD2 3.75Å; I425-L569 HydrophobicContact CG1-CD2 4.01Å; I425-L569 HydrophobicContact CG2-CD2 4.01Å; W504-L569 HydrophobicContact CZ2-CD2 4.37Å; L565-L569 HydrophobicContact CD1-CD2 3.88Å; L565-L569 HydrophobicContact CG-CD2 4.06Å; L565-L569 WeakPolarHBondContact O-CG 3.19Å; L565-L569 PolarHBondContact O-N 3.46Å; L569-L575 HydrophobicContact CD1-CB 3.95Å; L569-L575 HydrophobicContact CD1-CD1 4.26Å
570P96Very high96Very high14 Ų1471 Ų719%0.09135%0.35CS..PPolyproline II helixtrans-57.7154.4169.1-2032000111.3T427 Y501 W504 S573T427-P570 HydrophobicContact CG2-CB 4.13Å; Y501-P570 HydrophobicContact CD2-CB 4.32Å; Y501-P570 HydrophobicContact CD2-CG 3.83Å; Y501-P570 HydrophobicContact CE2-CG 4.09Å; W504-P570 HydrophobicContact CD2-CG 3.51Å; W504-P570 HydrophobicContact CE3-CG 3.59Å; W504-P570 HydrophobicContact CG-CG 3.95Å; W504-P570 HydrophobicContact CH2-CG 4.27Å; W504-P570 HydrophobicContact CZ2-CG 4.19Å; W504-P570 HydrophobicContact CZ3-CG 3.97Å; P570-S573 WeakPolarHBondContact CB-OG 3.31Å; P570-S573 WeakPolarHBondContact CD-OG 3.48Å; P570-S573 WeakPolarHBondContact O-CB 3.42Å; P570-S573 PolarHBondContact O-N 3.38Å; P570-S573 PolarHBondContact O-OG 3.48Å
571P92.1Very high95.5Very high112 Ų11267.7 Ų67.773%0.72734%0.335SS*.THydrogen-bonded Turntrans-51.2151.3170.4-23.733.8000111.9S573P571-S573 PolarHBondContact O-N 3.23Å; P571-S573 VanDerWaalsContact O-N 3.09Å
572E89Confident95.2Very high156 Ų15675.8 Ų75.873%0.72937%0.37SS*.THydrogen-bonded Turntrans57.623.5178.7-58.1-70.8173.100114.4
573S96.8Very high94.8Very high26 Ų2676.2 Ų76.218%0.18237%0.374CS..EExtended strand (participates in β ladder)trans-93.5137.8176.8-59.30000112.4L426 T427 P570 P571L426-S573 CarbonylContact O-C 3.6Å; L426-S573 VanDerWaalsContact O-CA 3.25Å; L426-S573 WeakPolarHBondContact O-CA 3.3Å; T427-S573 PolarHBondContact OG1-OG 3.1Å; P570-S573 WeakPolarHBondContact CB-OG 3.31Å; P570-S573 WeakPolarHBondContact CD-OG 3.48Å; P570-S573 WeakPolarHBondContact O-CB 3.42Å; P570-S573 PolarHBondContact O-N 3.38Å; P570-S573 PolarHBondContact O-OG 3.48Å; P571-S573 PolarHBondContact O-N 3.23Å; P571-S573 VanDerWaalsContact O-N 3.09Å
574Q96.4Very high94.4Very high120 Ų12073.5 Ų73.556%0.56136%0.362SS*.EExtended strand (participates in β ladder)trans-109140.2171.5-60.2178.714.700109.6I425 L426I425-Q574 WeakPolarHBondContact CA-O 3.45Å; L426-Q574 HydrophobicContact CB-CB 4.44Å; L426-Q574 PolarHBondContact N-O 3.38Å; L426-Q574 PolarHBondContact O-N 3.02Å
575L97.2Very high94.1Very high37 Ų3777.7 Ų77.719%0.19438%0.375CS..EExtended strand (participates in β ladder)trans-113.3119.8-179-172.273.8000109.8Y423 I425 T562 L565 K566 L569Y423-L575 HydrophobicContact CD1-CD1 3.76Å; Y423-L575 HydrophobicContact CD1-CD2 3.78Å; Y423-L575 HydrophobicContact CD1-CG 3.64Å; Y423-L575 HydrophobicContact CE1-CD2 3.86Å; Y423-L575 HydrophobicContact CE1-CG 4.22Å; Y423-L575 HydrophobicContact CG-CD1 3.76Å; Y423-L575 HydrophobicContact CG-CD2 4.42Å; Y423-L575 HydrophobicContact CG-CG 4.18Å; I425-L575 HydrophobicContact CD1-CD1 4.37Å; I425-L575 HydrophobicContact CG1-CD1 3.51Å; T562-L575 HydrophobicContact CG2-CD2 4.14Å; L565-L575 HydrophobicContact CD2-CD1 3.78Å; L565-L575 HydrophobicContact CD2-CD2 4.05Å; L565-L575 HydrophobicContact CG-CD1 4.38Å; L565-L575 HydrophobicContact CG-CD2 4.33Å; K566-L575 HydrophobicContact CG-CD2 3.97Å; L569-L575 HydrophobicContact CD1-CB 3.95Å; L569-L575 HydrophobicContact CD1-CD1 4.26Å
576T96.8Very high93.9Very high68 Ų6879.1 Ų79.142%0.41738%0.381SS..EExtended strand (participates in β ladder)trans-116.5135.3177.3-58.20000110.2Y423 E424 V578Y423-T576 CarbonylContact C-O 3.56Å; Y423-T576 VanDerWaalsContact CA-O 3.24Å; Y423-T576 WeakPolarHBondContact CA-O 3.43Å; E424-T576 PolarHBondContact N-O 2.78Å; E424-T576 PolarHBondContact O-N 2.94Å; T576-V578 PolarHBondContact O-N 2.88Å
577V97.1Very high93.6Very high40 Ų4076.2 Ų76.224%0.24238%0.375CS..EExtended strand (participates in β ladder)trans-81.9116.3173.2179.90000109.2V421 Y423 R580V421-V577 HydrophobicContact CG2-CG1 4.04Å; Y423-V577 HydrophobicContact CD1-CG2 3.9Å; Y423-V577 HydrophobicContact CE1-CG2 3.64Å; V577-R580 HydrophobicContact CG1-CB 4.04Å
578V94Very high93.4Very high73 Ų7372.9 Ų72.944%0.44236%0.36SS..EExtended strand (participates in β ladder)trans-86.5-38.1178.7178.30000111.3N422 E424 T576N422-V578 HydrophobicContact CB-CB 4.35Å; N422-V578 PolarHBondContact O-N 2.84Å; E424-V578 HydrophobicContact CB-CG2 3.68Å; T576-V578 PolarHBondContact O-N 2.88Å
579R91.7Very high93Very high103 Ų10375.1 Ų75.139%0.38938%0.375SS..EExtended strand (participates in β ladder)trans-150.7143.8177.5-177.2179.5-178.1-172.95.1108.7V421 N422 R446V421-R579 CarbonylContact C-O 3.59Å; V421-R579 WeakPolarHBondContact CA-O 3.42Å; N422-R579 HydrophobicContact CB-CB 4.18Å; N422-R579 PolarHBondContact N-O 3.37Å; N422-R579 PolarHBondContact O-N 2.95Å; R446-R579 VanDerWaalsContact NH2-CB 3.26Å
580R92.6Very high92.9Very high146 Ų14675.5 Ų75.555%0.55138%0.377SS*.EExtended strand (participates in β ladder)trans-139.5142.2172.268.2-173.681.1-159.510.2110.4I420 E558 V577I420-R580 CarbonylContact O-C 3.56Å; I420-R580 WeakPolarHBondContact O-CA 3.2Å; E558-R580 IonicContact OE1-CZ 3.31Å; E558-R580 IonicContact OE1-NE 3.23Å; E558-R580 IonicContact OE1-NH1 3.81Å; E558-R580 PolarHBondContact OE1-NH1 2.86Å; E558-R580 IonicContact OE2-NH1 2.95Å; V577-R580 HydrophobicContact CG1-CB 4.04Å
581I88.5Confident92.6Very high20 Ų2079.5 Ų79.510%0.10340%0.403CS..EExtended strand (participates in β ladder)trans-141.8120.5171.1-51.7-179.6000106.5I420 A616 R620I420-I581 HydrophobicContact CB-CB 4.15Å; I420-I581 HydrophobicContact CB-CG1 4.48Å; I420-I581 HydrophobicContact CD1-CD1 4.36Å; I420-I581 PolarHBondContact N-O 2.8Å; I420-I581 PolarHBondContact O-N 2.96Å; I581-A616 HydrophobicContact CD1-CB 4.45Å; I581-R620 VanDerWaalsContact CG2-CD 3.42Å
582K90Very high92.7Very high171 Ų17176.1 Ų76.174%0.74338%0.378SS*.  trans-62.3146.2178.9-165.9-177.3174.4-174.50110.2R620K582-R620 PolarHBondContact O-NH1 2.87Å
583S90.7Very high92.9Very high25 Ų2568.7 Ų68.718%0.17534%0.344CS..  trans-59.8148.8167.645.90000110.4E417E417-S583 WeakPolarHBondContact O-CA 3.49Å
584S89.4Confident92.7Very high27 Ų2771.9 Ų71.919%0.18936%0.356CS..EExtended strand (participates in β ladder)trans-115.8139.9169.4-171.60000108.9G416 E417 A619G416-S584 CarbonylContact C-O 3.52Å; G416-S584 WeakPolarHBondContact CA-O 3.24Å; E417-S584 PolarHBondContact N-O 2.91Å; E417-S584 PolarHBondContact O-N 2.81Å; S584-A619 PolarHBondContact OG-O 2.87Å
585Y91.4Very high92.4Very high113 Ų11368.2 Ų68.244%0.44334%0.34SS..EExtended strand (participates in β ladder)trans-146.6128.4176.8176.7-86.8000108.4Y415 V554Y415-Y585 HydrophobicContact CD2-CD2 4.27Å; Y415-Y585 AromaticContact CD2-CE2 3.99Å; Y415-Y585 HydrophobicContact CD2-CE2 3.99Å; Y415-Y585 HydrophobicContact CE2-CD2 4.27Å; Y415-Y585 AromaticContact CE2-CE2 3.76Å; Y415-Y585 HydrophobicContact CE2-CE2 3.76Å; Y415-Y585 CarbonylContact O-C 3.55Å; V554-Y585 HydrophobicContact CB-CD2 4.4Å; V554-Y585 HydrophobicContact CG2-CD2 3.93Å
586F93Very high92.4Very high29 Ų2966.4 Ų66.413%0.12733%0.331CS..  trans-119.6142.3172.4-158.1-95000108.7F403 Y415 K588 D590 V593 N624 V626F403-F586 HydrophobicContact CD2-CE1 4.16Å; F403-F586 HydrophobicContact CD2-CZ 4.02Å; F403-F586 HydrophobicContact CE2-CD1 4.5Å; F403-F586 AromaticContact CE2-CE1 3.79Å; F403-F586 HydrophobicContact CE2-CE1 3.79Å; F403-F586 HydrophobicContact CE2-CZ 4.09Å; Y415-F586 WeakPolarHBondContact CD2-O 3.38Å; Y415-F586 PolarHBondContact O-N 2.73Å; F586-K588 PolarHBondContact O-N 2.68Å; F586-K588 VanDerWaalsContact O-N 3.13Å; F586-D590 HydrophobicContact CD1-CB 4.24Å; F586-D590 HydrophobicContact CE1-CB 3.65Å; F586-V593 HydrophobicContact CD1-CG2 3.73Å; F586-V593 HydrophobicContact CE1-CG2 4.05Å; F586-N624 HydrophobicContact CE2-CB 4.43Å; F586-V626 HydrophobicContact CB-CG1 3.77Å; F586-V626 HydrophobicContact CD1-CG1 3.86Å; F586-V626 HydrophobicContact CG-CG1 3.82Å
587P92.5Very high92.2Very high55 Ų5563.4 Ų63.436%0.35731%0.312SS..  trans-57.5120.9179.7-22.633.1000111.2D589 D590P587-D589 VanDerWaalsContact CB-OD1 3.29Å; P587-D589 WeakPolarHBondContact CB-OD1 3.43Å; P587-D589 PolarHBondContact O-N 3.23Å; P587-D590 HydrophobicContact CB-CB 4.4Å; P587-D590 VanDerWaalsContact O-CB 3.31Å; P587-D590 WeakPolarHBondContact O-CB 3.35Å; P587-D590 PolarHBondContact O-N 2.95Å
588K91.3Very high91.6Very high89 Ų8963.3 Ų63.339%0.38732%0.315SS..THydrogen-bonded Turntrans-68.4-20.1179.265.9-174.6176.5-168.90113.2Y415 D526 F586 V593 Q594 P610Y415-K588 HydrophobicContact CD1-CB 4.09Å; Y415-K588 HydrophobicContact CD2-CB 3.86Å; Y415-K588 HydrophobicContact CE1-CB 4.25Å; Y415-K588 HydrophobicContact CE1-CD 4.43Å; Y415-K588 HydrophobicContact CE2-CB 4.01Å; Y415-K588 HydrophobicContact CE2-CD 4.1Å; Y415-K588 HydrophobicContact CE2-CG 4.49Å; Y415-K588 HydrophobicContact CG-CB 3.88Å; D526-K588 IonicContact OD1-NZ 2.68Å; D526-K588 PolarHBondContact OD1-NZ 2.85Å; F586-K588 PolarHBondContact O-N 2.68Å; F586-K588 VanDerWaalsContact O-N 3.13Å; K588-V593 WeakPolarHBondContact O-CG1 3.46Å; K588-Q594 PolarHBondContact O-NE2 2.79Å; K588-P610 HydrophobicContact CB-CB 4.35Å
589D90.2Very high91.3Very high123 Ų12360 Ų6066%0.65830%0.296SS*.THydrogen-bonded Turntrans-890.317659.8-35.5000113.5P587P587-D589 VanDerWaalsContact CB-OD1 3.29Å; P587-D589 WeakPolarHBondContact CB-OD1 3.43Å; P587-D589 PolarHBondContact O-N 3.23Å
590D93.5Very high91.3Very high38 Ų3855.2 Ų55.220%0.20328%0.278CS..  trans-57.1133.9173.8-174.5-83.5000110.7F586 P587 N592 V593 Q594F586-D590 HydrophobicContact CD1-CB 4.24Å; F586-D590 HydrophobicContact CE1-CB 3.65Å; P587-D590 HydrophobicContact CB-CB 4.4Å; P587-D590 VanDerWaalsContact O-CB 3.31Å; P587-D590 WeakPolarHBondContact O-CB 3.35Å; P587-D590 PolarHBondContact O-N 2.95Å; D590-N592 PolarHBondContact O-N 2.93Å; D590-N592 VanDerWaalsContact O-N 3.11Å; D590-N592 WeakPolarHBondContact OD1-CA 3.39Å; D590-N592 VanDerWaalsContact OD1-CB 3.26Å; D590-N592 WeakPolarHBondContact OD1-CB 3.32Å; D590-N592 PolarHBondContact OD1-N 3.45Å; D590-N592 PolarHBondContact OD1-ND2 3.42Å; D590-V593 HydrophobicContact CB-CB 4.29Å; D590-V593 HydrophobicContact CB-CG2 4.06Å; D590-V593 WeakPolarHBondContact O-CB 3.3Å; D590-V593 PolarHBondContact O-N 2.73Å; D590-Q594 PolarHBondContact O-N 3.09Å
591P90Very high90.9Very high98 Ų9852.4 Ų52.464%0.63627%0.271SS*.Hα-helixtrans-54.4-32.8-179-28.535.5000114.1L595P591-L595 VanDerWaalsContact O-CB 3.25Å; P591-L595 WeakPolarHBondContact O-CB 3.49Å; P591-L595 PolarHBondContact O-N 2.89Å
592N93.7Very high90.6Very high41 Ų4157.6 Ų57.622%0.21930%0.295CS..Hα-helixtrans-76.5-31.5179.1-53.9-74.8000112.2F403 D590 L595 L596 L665F403-N592 HydrophobicContact CD1-CB 3.49Å; F403-N592 VanDerWaalsContact CD1-CB 3.49Å; F403-N592 HydrophobicContact CD2-CB 3.72Å; F403-N592 HydrophobicContact CE1-CB 3.38Å; F403-N592 HydrophobicContact CE2-CB 3.62Å; F403-N592 HydrophobicContact CG-CB 3.65Å; F403-N592 HydrophobicContact CZ-CB 3.44Å; F403-N592 VanDerWaalsContact CZ-CB 3.44Å; D590-N592 PolarHBondContact O-N 2.93Å; D590-N592 VanDerWaalsContact O-N 3.11Å; D590-N592 WeakPolarHBondContact OD1-CA 3.39Å; D590-N592 VanDerWaalsContact OD1-CB 3.26Å; D590-N592 WeakPolarHBondContact OD1-CB 3.32Å; D590-N592 PolarHBondContact OD1-N 3.45Å; D590-N592 PolarHBondContact OD1-ND2 3.42Å; N592-L595 PolarHBondContact O-N 2.87Å; N592-L596 WeakPolarHBondContact O-CG 3.49Å; N592-L596 PolarHBondContact O-N 2.86Å; N592-L665 HydrophobicContact CB-CD2 3.98Å
593V94.7Very high90.2Very high0 Ų049.9 Ų49.90%026%0.263CS..Hα-helixtrans-66.4-44.1171.6170.40000110.2F403 V413 F586 K588 D590 L595 L596 S597 P610 V626F403-V593 HydrophobicContact CE2-CG2 4.36Å; F403-V593 HydrophobicContact CZ-CG2 4.45Å; V413-V593 HydrophobicContact CB-CG1 4.31Å; V413-V593 HydrophobicContact CG1-CG1 3.95Å; V413-V593 HydrophobicContact CG1-CG2 4.45Å; F586-V593 HydrophobicContact CD1-CG2 3.73Å; F586-V593 HydrophobicContact CE1-CG2 4.05Å; K588-V593 WeakPolarHBondContact O-CG1 3.46Å; D590-V593 HydrophobicContact CB-CB 4.29Å; D590-V593 HydrophobicContact CB-CG2 4.06Å; D590-V593 WeakPolarHBondContact O-CB 3.3Å; D590-V593 PolarHBondContact O-N 2.73Å; V593-L595 VanDerWaalsContact C-N 3.32Å; V593-L595 PolarHBondContact O-N 3.46Å; V593-L596 PolarHBondContact O-N 2.99Å; V593-S597 WeakPolarHBondContact O-CB 3.49Å; V593-S597 PolarHBondContact O-N 3.18Å; V593-S597 PolarHBondContact O-OG 2.98Å; V593-P610 HydrophobicContact CG1-CB 4.15Å; V593-P610 HydrophobicContact CG1-CG 3.68Å; V593-V626 HydrophobicContact CG2-CG1 4.18Å
594Q92.6Very high89.8Confident93 Ų9350.5 Ų50.544%0.43527%0.266SS..Hα-helixtrans-62.8-40.5175.5-65.6-60.8-49.900111.4K588 D590 S597 A598K588-Q594 PolarHBondContact O-NE2 2.79Å; D590-Q594 PolarHBondContact O-N 3.09Å; Q594-S597 WeakPolarHBondContact O-CB 3.1Å; Q594-S597 PolarHBondContact O-N 3.29Å; Q594-A598 WeakPolarHBondContact O-CB 3.39Å; Q594-A598 PolarHBondContact O-N 3.39Å
595L90.7Very high89.2Confident43 Ų4352.6 Ų52.623%0.22529%0.291CS..Hα-helixtrans-60.7-48.2175.4177.9161.1000112.4P591 N592 V593 S597 A598 V599 K664 L665P591-L595 VanDerWaalsContact O-CB 3.25Å; P591-L595 WeakPolarHBondContact O-CB 3.49Å; P591-L595 PolarHBondContact O-N 2.89Å; N592-L595 PolarHBondContact O-N 2.87Å; V593-L595 VanDerWaalsContact C-N 3.32Å; V593-L595 PolarHBondContact O-N 3.46Å; L595-S597 VanDerWaalsContact C-N 3.28Å; L595-S597 PolarHBondContact O-N 2.72Å; L595-A598 PolarHBondContact O-N 3.44Å; L595-V599 HydrophobicContact CD2-CG2 4.31Å; L595-V599 WeakPolarHBondContact O-CG2 3.38Å; L595-V599 PolarHBondContact O-N 2.9Å; L595-K664 HydrophobicContact CD1-CB 4Å; L595-K664 HydrophobicContact CD2-CB 3.57Å; L595-K664 HydrophobicContact CG-CB 3.96Å; L595-L665 HydrophobicContact CD1-CD2 4.36Å; L595-L665 HydrophobicContact CD2-CD2 3.92Å; L595-L665 HydrophobicContact CD2-CG 4.05Å
596L95.3Very high89Confident0 Ų051.2 Ų51.20%029%0.291CS..Hα-helixtrans-65.4-34176.7-71.4-177.4000112.2F403 F405 V413 N592 V593 V599 Y600 V626 F628 L665F403-L596 HydrophobicContact CE1-CD1 3.89Å; F403-L596 HydrophobicContact CE1-CG 4.45Å; F403-L596 HydrophobicContact CZ-CD1 4.07Å; F405-L596 HydrophobicContact CB-CD1 4.07Å; F405-L596 HydrophobicContact CD1-CD1 4.09Å; F405-L596 HydrophobicContact CD1-CD2 4.32Å; F405-L596 HydrophobicContact CE1-CD2 4.49Å; F405-L596 HydrophobicContact CG-CD1 4.32Å; V413-L596 HydrophobicContact CG2-CB 3.49Å; V413-L596 VanDerWaalsContact CG2-CB 3.49Å; N592-L596 WeakPolarHBondContact O-CG 3.49Å; N592-L596 PolarHBondContact O-N 2.86Å; V593-L596 PolarHBondContact O-N 2.99Å; L596-V599 PolarHBondContact O-N 2.91Å; L596-Y600 PolarHBondContact O-N 2.94Å; L596-Y600 VanDerWaalsContact O-N 3.08Å; L596-V626 HydrophobicContact CD1-CG2 4.14Å; L596-F628 HydrophobicContact CB-CE1 4.31Å; L596-F628 HydrophobicContact CB-CE2 4.26Å; L596-F628 HydrophobicContact CB-CZ 4.15Å; L596-F628 HydrophobicContact CD1-CD1 4.27Å; L596-F628 HydrophobicContact CD1-CG 4.35Å; L596-F628 HydrophobicContact CD2-CD1 4.14Å; L596-F628 HydrophobicContact CD2-CE1 3.92Å; L596-F628 WeakPolarHBondContact O-CE2 3.47Å; L596-F628 WeakPolarHBondContact O-CZ 3.43Å; L596-L665 HydrophobicContact CD2-CD1 4.05Å; L596-L665 HydrophobicContact CD2-CG 4.49Å
597S92.6Very high88.6Confident4 Ų455.1 Ų55.13%0.02831%0.313CS..Hα-helixtrans-63.7-49.7174.8-55.80000110.9V593 Q594 L595 V599 Y600 E601 G608 P610V593-S597 WeakPolarHBondContact O-CB 3.49Å; V593-S597 PolarHBondContact O-N 3.18Å; V593-S597 PolarHBondContact O-OG 2.98Å; Q594-S597 WeakPolarHBondContact O-CB 3.1Å; Q594-S597 PolarHBondContact O-N 3.29Å; L595-S597 VanDerWaalsContact C-N 3.28Å; L595-S597 PolarHBondContact O-N 2.72Å; S597-V599 VanDerWaalsContact C-N 3.34Å; S597-V599 PolarHBondContact O-N 2.85Å; S597-Y600 WeakPolarHBondContact O-CB 3.39Å; S597-Y600 PolarHBondContact O-N 3.09Å; S597-Y600 VanDerWaalsContact O-N 3.12Å; S597-E601 WeakPolarHBondContact O-CG 3.38Å; S597-E601 PolarHBondContact O-N 2.77Å; S597-G608 VanDerWaalsContact CB-O 3.3Å; S597-G608 WeakPolarHBondContact CB-O 3.48Å; S597-G608 PolarHBondContact OG-O 2.95Å; S597-P610 WeakPolarHBondContact OG-CG 3.44Å
598A86.1Confident88.5Confident38 Ų3852.5 Ų52.531%0.31430%0.296SS..Hα-helixtrans-60-41.6175.900000112.3Q594 L595 Y600 E601 E602Q594-A598 WeakPolarHBondContact O-CB 3.39Å; Q594-A598 PolarHBondContact O-N 3.39Å; L595-A598 PolarHBondContact O-N 3.44Å; A598-Y600 VanDerWaalsContact C-N 3.28Å; A598-Y600 PolarHBondContact O-N 3.23Å; A598-E601 PolarHBondContact O-N 2.82Å; A598-E602 WeakPolarHBondContact O-CB 3.21Å; A598-E602 VanDerWaalsContact O-CG 3.32Å; A598-E602 WeakPolarHBondContact O-CG 3.45Å; A598-E602 PolarHBondContact O-N 3.02Å
599V86.6Confident88.5Confident5 Ų552.2 Ų52.23%0.0330%0.302CS..Hα-helixtrans-57.6-42.1174.9163.40000111.7L595 L596 S597 A603 I657 R660 K664L595-V599 HydrophobicContact CD2-CG2 4.31Å; L595-V599 WeakPolarHBondContact O-CG2 3.38Å; L595-V599 PolarHBondContact O-N 2.9Å; L596-V599 PolarHBondContact O-N 2.91Å; S597-V599 VanDerWaalsContact C-N 3.34Å; S597-V599 PolarHBondContact O-N 2.85Å; V599-A603 VanDerWaalsContact O-CB 3.23Å; V599-A603 WeakPolarHBondContact O-CB 3.25Å; V599-A603 PolarHBondContact O-N 3.06Å; V599-A603 VanDerWaalsContact O-N 3.12Å; V599-I657 HydrophobicContact CG1-CG2 4.28Å; V599-R660 HydrophobicContact CG1-CB 3.66Å; V599-R660 HydrophobicContact CG2-CB 4.45Å; V599-K664 HydrophobicContact CG2-CB 4.42Å; V599-K664 HydrophobicContact CG2-CG 4.07Å
600Y91.3Very high88.7Confident1 Ų147.3 Ų47.30%0.00428%0.277CS..Hα-helixtrans-64.9-49.5176.4174.4-99000111.2Y411 P412 L596 S597 A598 E602 A603 T604 L606 D607 F632 P633 I657Y411-Y600 AromaticContact CD1-CD2 3.56Å; Y411-Y600 HydrophobicContact CD1-CD2 3.56Å; Y411-Y600 AromaticContact CD1-CE2 3.85Å; Y411-Y600 HydrophobicContact CD1-CE2 3.85Å; Y411-Y600 HydrophobicContact CD1-CG 4.4Å; Y411-Y600 HydrophobicContact CD2-CD2 4.25Å; Y411-Y600 AromaticContact CD2-CE2 3.83Å; Y411-Y600 HydrophobicContact CD2-CE2 3.83Å; Y411-Y600 HydrophobicContact CE1-CD2 4.09Å; Y411-Y600 AromaticContact CG-CD2 3.66Å; Y411-Y600 HydrophobicContact CG-CD2 3.66Å; Y411-Y600 AromaticContact CG-CE2 3.41Å; Y411-Y600 HydrophobicContact CG-CE2 3.41Å; Y411-Y600 VanDerWaalsContact CG-CE2 3.41Å; P412-Y600 HydrophobicContact CB-CD1 3.95Å; P412-Y600 HydrophobicContact CB-CE1 4.12Å; P412-Y600 HydrophobicContact CB-CG 4.43Å; L596-Y600 PolarHBondContact O-N 2.94Å; L596-Y600 VanDerWaalsContact O-N 3.08Å; S597-Y600 WeakPolarHBondContact O-CB 3.39Å; S597-Y600 PolarHBondContact O-N 3.09Å; S597-Y600 VanDerWaalsContact O-N 3.12Å; A598-Y600 VanDerWaalsContact C-N 3.28Å; A598-Y600 PolarHBondContact O-N 3.23Å; Y600-E602 VanDerWaalsContact C-N 3.34Å; Y600-E602 PolarHBondContact O-N 3.2Å; Y600-A603 PolarHBondContact O-N 2.96Å; Y600-A603 VanDerWaalsContact O-N 3.11Å; Y600-T604 HydrophobicContact CD2-CG2 3.88Å; Y600-T604 HydrophobicContact CE2-CG2 3.67Å; Y600-T604 PolarHBondContact O-N 3.02Å; Y600-T604 PolarHBondContact O-OG1 2.97Å; Y600-L606 HydrophobicContact CE1-CB 3.83Å; Y600-L606 WeakPolarHBondContact OH-CD1 3.42Å; Y600-D607 WeakPolarHBondContact CE1-O 3.31Å; Y600-F632 HydrophobicContact CE2-CD1 4.13Å; Y600-F632 HydrophobicContact CE2-CE1 4.09Å; Y600-P633 WeakPolarHBondContact OH-CD 3.34Å; Y600-I657 HydrophobicContact CD2-CD1 4.19Å
601E85.5Confident88.7Confident88 Ų8847.6 Ų47.641%0.41128%0.28SS..Hα-helixtrans-56.8-46178.8-65.4-174.5149.800112.1S597 A598 A603 G605 L606 G608S597-E601 WeakPolarHBondContact O-CG 3.38Å; S597-E601 PolarHBondContact O-N 2.77Å; A598-E601 PolarHBondContact O-N 2.82Å; E601-A603 VanDerWaalsContact C-N 3.32Å; E601-A603 PolarHBondContact O-N 3.29Å; E601-G605 VanDerWaalsContact O-CA 3.25Å; E601-G605 WeakPolarHBondContact O-CA 3.34Å; E601-G605 PolarHBondContact O-N 3.03Å; E601-L606 WeakPolarHBondContact CG-O 3.42Å; E601-G608 WeakPolarHBondContact OE1-CA 3.23Å; E601-G608 PolarHBondContact OE1-N 2.83Å
602E81.8Confident88.9Confident129 Ų12943.9 Ų43.960%0.60326%0.255SS*.Hα-helixtrans-64-35.8177.7-72.8175.9-167.700112.9A598 Y600A598-E602 WeakPolarHBondContact O-CB 3.21Å; A598-E602 VanDerWaalsContact O-CG 3.32Å; A598-E602 WeakPolarHBondContact O-CG 3.45Å; A598-E602 PolarHBondContact O-N 3.02Å; Y600-E602 VanDerWaalsContact C-N 3.34Å; Y600-E602 PolarHBondContact O-N 3.2Å
603A81.3Confident88.7Confident9 Ų942.7 Ų42.77%0.07425%0.249CC..Hα-helixtrans-83-27-175.800000113.4V599 Y600 E601 K653 I657V599-A603 VanDerWaalsContact O-CB 3.23Å; V599-A603 WeakPolarHBondContact O-CB 3.25Å; V599-A603 PolarHBondContact O-N 3.06Å; V599-A603 VanDerWaalsContact O-N 3.12Å; Y600-A603 PolarHBondContact O-N 2.96Å; Y600-A603 VanDerWaalsContact O-N 3.11Å; E601-A603 VanDerWaalsContact C-N 3.32Å; E601-A603 PolarHBondContact O-N 3.29Å; A603-K653 PolarHBondContact O-NZ 2.97Å; A603-I657 HydrophobicContact CB-CD1 4.47Å; A603-I657 HydrophobicContact CB-CG1 3.62Å
604T82.7Confident88.1Confident38 Ų3844.2 Ų44.223%0.23326%0.259CS..Hα-helixtrans-119.5-21.5-17369.60000114.6Y600 L606 F632 I657Y600-T604 HydrophobicContact CD2-CG2 3.88Å; Y600-T604 HydrophobicContact CE2-CG2 3.67Å; Y600-T604 PolarHBondContact O-N 3.02Å; Y600-T604 PolarHBondContact O-OG1 2.97Å; T604-L606 PolarHBondContact O-N 3.32Å; T604-L606 WeakPolarHBondContact OG1-CB 3.5Å; T604-L606 PolarHBondContact OG1-N 2.85Å; T604-L606 VanDerWaalsContact OG1-N 3.15Å; T604-F632 HydrophobicContact CG2-CE1 3.98Å; T604-I657 HydrophobicContact CG2-CD1 3.84Å
605G77Confident87.4Confident70 Ų7041.1 Ų41.172%0.72225%0.252SS*.SBendtrans65.320.5-169.400000113.7E601E601-G605 VanDerWaalsContact O-CA 3.25Å; E601-G605 WeakPolarHBondContact O-CA 3.34Å; E601-G605 PolarHBondContact O-N 3.03Å
606L86.5Confident87.1Confident84 Ų8440.9 Ų40.944%0.4426%0.256SS..SBendtrans-107.1158.2179.6-59.5174.2000109.8Y600 E601 T604 G608Y600-L606 HydrophobicContact CE1-CB 3.83Å; Y600-L606 WeakPolarHBondContact OH-CD1 3.42Å; E601-L606 WeakPolarHBondContact CG-O 3.42Å; T604-L606 PolarHBondContact O-N 3.32Å; T604-L606 WeakPolarHBondContact OG1-CB 3.5Å; T604-L606 PolarHBondContact OG1-N 2.85Å; T604-L606 VanDerWaalsContact OG1-N 3.15Å; L606-G608 PolarHBondContact O-N 3.21Å
607D85.5Confident86.8Confident112 Ų11241 Ų4160%0.59926%0.257SS*.  trans-55.9120.2177.1178.89.8000112.2Y600 T609Y600-D607 WeakPolarHBondContact CE1-O 3.31Å; D607-T609 VanDerWaalsContact OD1-CB 3.23Å; D607-T609 WeakPolarHBondContact OD1-CB 3.3Å; D607-T609 PolarHBondContact OD1-N 2.82Å; D607-T609 PolarHBondContact OD1-OG1 2.89Å
608G89.7Confident86.9Confident0 Ų040.9 Ų40.90%026%0.256CS..  trans-932.6-179.300000114.7P412 S597 E601 L606 P610P412-G608 WeakPolarHBondContact CB-O 3.38Å; S597-G608 VanDerWaalsContact CB-O 3.3Å; S597-G608 WeakPolarHBondContact CB-O 3.48Å; S597-G608 PolarHBondContact OG-O 2.95Å; E601-G608 WeakPolarHBondContact OE1-CA 3.23Å; E601-G608 PolarHBondContact OE1-N 2.83Å; L606-G608 PolarHBondContact O-N 3.21Å; G608-P610 WeakPolarHBondContact O-CD 3.35Å; G608-P610 VanDerWaalsContact O-N 3.13Å
609T91.4Very high87.1Confident83 Ų8339.3 Ų39.351%0.50924%0.243SC..  trans-50.5118.8-177.4-610000111.2P412 D607 V611P412-T609 WeakPolarHBondContact CG-O 3.37Å; D607-T609 VanDerWaalsContact OD1-CB 3.23Å; D607-T609 WeakPolarHBondContact OD1-CB 3.3Å; D607-T609 PolarHBondContact OD1-N 2.82Å; D607-T609 PolarHBondContact OD1-OG1 2.89Å; T609-V611 WeakPolarHBondContact O-CG1 3.28Å
610P94.4Very high87.2Confident19 Ų1940.8 Ų40.812%0.12325%0.248CC..  trans-53.5143.7179.8-27.633.4000112.8V413 Y415 K588 V593 S597 G608V413-P610 CarbonylContact O-C 3.57Å; V413-P610 VanDerWaalsContact O-CA 3.29Å; V413-P610 WeakPolarHBondContact O-CA 3.46Å; Y415-P610 HydrophobicContact CD1-CB 3.49Å; Y415-P610 VanDerWaalsContact CD1-CB 3.49Å; Y415-P610 HydrophobicContact CE1-CB 3.97Å; Y415-P610 WeakPolarHBondContact CE1-O 3.36Å; Y415-P610 HydrophobicContact CG-CB 4.39Å; K588-P610 HydrophobicContact CB-CB 4.35Å; V593-P610 HydrophobicContact CG1-CB 4.15Å; V593-P610 HydrophobicContact CG1-CG 3.68Å; S597-P610 WeakPolarHBondContact OG-CG 3.44Å; G608-P610 WeakPolarHBondContact O-CD 3.35Å; G608-P610 VanDerWaalsContact O-N 3.13Å
611V94.2Very high87.1Confident44 Ų4443.8 Ų43.827%0.26726%0.262SS..EExtended strand (participates in β ladder)trans-128.3171.5-176.6-61.10000112.5P412 V413 V414 Y415 T609P412-V611 HydrophobicContact CG-CG1 4.21Å; P412-V611 HydrophobicContact CG-CG2 4.44Å; V413-V611 PolarHBondContact O-N 2.94Å; V414-V611 CarbonylContact C-O 3.58Å; V414-V611 WeakPolarHBondContact CA-O 3.07Å; V414-V611 HydrophobicContact CG2-CG2 4.11Å; Y415-V611 WeakPolarHBondContact CD1-O 3.39Å; Y415-V611 VanDerWaalsContact CE1-C 3.42Å; Y415-V611 WeakPolarHBondContact CE1-O 3.28Å; Y415-V611 PolarHBondContact N-O 3.4Å; T609-V611 WeakPolarHBondContact O-CG1 3.28Å
612T92.8Very high87.4Confident21 Ų2139.8 Ų39.813%0.12924%0.243CC..EExtended strand (participates in β ladder)trans-108.8167.3169.161.80000111.7K410 Y415 G416 D526 S527K410-T612 PolarHBondContact NZ-O 2.95Å; Y415-T612 HydrophobicContact CD1-CG2 4.48Å; Y415-T612 HydrophobicContact CE1-CG2 3.9Å; Y415-T612 HydrophobicContact CE2-CG2 3.95Å; G416-T612 CarbonylContact O-C 3.52Å; G416-T612 WeakPolarHBondContact O-CA 3.4Å; G416-T612 WeakPolarHBondContact O-CB 3.42Å; D526-T612 HydrophobicContact CB-CG2 4.32Å; D526-T612 WeakPolarHBondContact O-CG2 3.49Å; D526-T612 PolarHBondContact O-OG1 2.95Å; S527-T612 WeakPolarHBondContact CA-OG1 3.44Å
613T89.4Confident88Confident15 Ų1536.5 Ų36.59%0.09223%0.233CC..EExtended strand (participates in β ladder)trans-137.1162.8178.6-161.90000113.4V414 G416 E417 R418 G615V414-T613 HydrophobicContact CG1-CG2 3.53Å; G416-T613 PolarHBondContact O-N 3.12Å; E417-T613 WeakPolarHBondContact CA-O 3.39Å; E417-T613 HydrophobicContact CB-CG2 4.2Å; E417-T613 HydrophobicContact CG-CG2 3.82Å; R418-T613 PolarHBondContact N-O 3.37Å; T613-G615 PolarHBondContact OG1-N 2.9Å
614T82.3Confident88.6Confident32 Ų3239.4 Ų39.420%0.19625%0.247CC..SBendtrans-98.4-9.1172.859.90000112.7N472 M531N472-T614 PolarHBondContact ND2-OG1 2.65Å; M531-T614 HydrophobicContact CE-CG2 3.44Å; M531-T614 VanDerWaalsContact CE-CG2 3.44Å
615G79.4Confident89.2Confident29 Ų2937.8 Ų37.830%0.29924%0.237SC..SBendtrans-70.4171.8174.400000112.8T613 R620T613-G615 PolarHBondContact OG1-N 2.9Å; G615-R620 PolarHBondContact O-NH2 3.44Å
616A83.3Confident90.2Very high37 Ų3734.6 Ų34.631%0.30620%0.203SC..  trans-121.9135.7170.900000107.6E417 I581E417-A616 VanDerWaalsContact OE2-CA 3.26Å; E417-A616 WeakPolarHBondContact OE2-CA 3.32Å; I581-A616 HydrophobicContact CD1-CB 4.45Å
617T89.6Confident90.7Very high4 Ų430.6 Ų30.63%0.02518%0.182CC..  trans-139176178.777.90000109.2E384 T406 D408 C409 E417 A619 R620 A627E384-T617 WeakPolarHBondContact OE1-CA 3.39Å; T406-T617 WeakPolarHBondContact CG2-OG1 3.32Å; D408-T617 WeakPolarHBondContact O-CG2 3.44Å; C409-T617 HydrophobicContact CB-CG2 4.13Å; E417-T617 WeakPolarHBondContact OE1-CB 3.35Å; E417-T617 WeakPolarHBondContact OE1-CG2 3.3Å; E417-T617 PolarHBondContact OE1-OG1 3.35Å; E417-T617 PolarHBondContact OE2-N 3.29Å; T617-A619 PolarHBondContact O-N 3.41Å; T617-A619 VanDerWaalsContact OG1-CB 3.23Å; T617-A619 WeakPolarHBondContact OG1-CB 3.5Å; T617-A619 PolarHBondContact OG1-N 2.96Å; T617-R620 PolarHBondContact O-N 3.49Å; T617-R620 VanDerWaalsContact O-N 3.12Å; T617-A627 HydrophobicContact CG2-CB 4.38Å
618Y93.4Very high91.2Very high0 Ų025.2 Ų25.20%015%0.154CC..G310 helixtrans-55-19.8168.6-76.3-37.3000114.5V317 H319 G381 E384 D390 I391 R620 F621 I622V317-Y618 HydrophobicContact CB-CD2 4.5Å; V317-Y618 HydrophobicContact CG1-CD2 3.59Å; V317-Y618 HydrophobicContact CG1-CE2 4.19Å; V317-Y618 HydrophobicContact CG1-CG 4.19Å; H319-Y618 HydrophobicContact CB-CE2 3.71Å; G381-Y618 VanDerWaalsContact CA-OH 3.28Å; G381-Y618 WeakPolarHBondContact CA-OH 3.37Å; E384-Y618 HydrophobicContact CB-CE1 3.8Å; E384-Y618 HydrophobicContact CB-CE2 4.09Å; E384-Y618 WeakPolarHBondContact CB-OH 3.36Å; E384-Y618 HydrophobicContact CG-CD1 3.83Å; E384-Y618 HydrophobicContact CG-CD2 4.15Å; E384-Y618 HydrophobicContact CG-CE1 3.59Å; E384-Y618 HydrophobicContact CG-CE2 3.94Å; E384-Y618 HydrophobicContact CG-CG 4.09Å; E384-Y618 PolarHBondContact N-OH 2.96Å; D390-Y618 PolarHBondContact OD1-OH 2.81Å; D390-Y618 PolarHBondContact OD2-OH 2.82Å; I391-Y618 HydrophobicContact CD1-CD1 3.65Å; I391-Y618 HydrophobicContact CD1-CE1 3.48Å; I391-Y618 VanDerWaalsContact CD1-CE1 3.48Å; I391-Y618 HydrophobicContact CD1-CE2 4.34Å; I391-Y618 HydrophobicContact CD1-CG 4.19Å; I391-Y618 HydrophobicContact CG1-CD1 3.34Å; I391-Y618 HydrophobicContact CG1-CE1 3.31Å; I391-Y618 HydrophobicContact CG1-CG 4.25Å; Y618-R620 PolarHBondContact O-N 3.01Å; Y618-F621 PolarHBondContact O-N 2.87Å; Y618-I622 PolarHBondContact O-N 3.1Å
619A91.6Very high91.5Very high6 Ų625.2 Ų25.25%0.0515%0.154CC..G310 helixtrans-60.2-1217600000114.6T406 S584 T617 I625T406-A619 HydrophobicContact CG2-CB 4.08Å; S584-A619 PolarHBondContact OG-O 2.87Å; T617-A619 PolarHBondContact O-N 3.41Å; T617-A619 VanDerWaalsContact OG1-CB 3.23Å; T617-A619 WeakPolarHBondContact OG1-CB 3.5Å; T617-A619 PolarHBondContact OG1-N 2.96Å; A619-I625 HydrophobicContact CB-CD1 4.26Å; A619-I625 HydrophobicContact CB-CG1 4.32Å
620R87.7Confident91.8Very high35 Ų3521.4 Ų21.413%0.13213%0.13CC..G310 helixtrans-86.1-27.1170.9-58.9-167.5179.9-1304.6114.6E417 R418 I581 K582 G615 T617 Y618E417-R620 HydrophobicContact CB-CG 4.5Å; E417-R620 VanDerWaalsContact CB-NH2 3.27Å; E417-R620 WeakPolarHBondContact OE2-CD 3.37Å; E417-R620 WeakPolarHBondContact OE2-CG 3.42Å; E417-R620 IonicContact OE2-CZ 2.7Å; E417-R620 IonicContact OE2-NE 3.32Å; E417-R620 PolarHBondContact OE2-NE 2.73Å; E417-R620 IonicContact OE2-NH2 3.85Å; R418-R620 PolarHBondContact O-NH1 2.94Å; R418-R620 PolarHBondContact O-NH2 3.45Å; I581-R620 VanDerWaalsContact CG2-CD 3.42Å; K582-R620 PolarHBondContact O-NH1 2.87Å; G615-R620 PolarHBondContact O-NH2 3.44Å; T617-R620 PolarHBondContact O-N 3.49Å; T617-R620 VanDerWaalsContact O-N 3.12Å; Y618-R620 PolarHBondContact O-N 3.01Å
621F89.8Confident91.9Very high65 Ų6521.4 Ų21.429%0.28513%0.131SC..THydrogen-bonded Turntrans-105.5-26.3-166.4-59.7-81.6000112.4S388 I391 Y618S388-F621 WeakPolarHBondContact OG-CD2 3.45Å; S388-F621 WeakPolarHBondContact OG-CE2 3.48Å; I391-F621 HydrophobicContact CB-CB 4.01Å; I391-F621 HydrophobicContact CG1-CB 4.15Å; I391-F621 HydrophobicContact CG2-CB 3.77Å; Y618-F621 PolarHBondContact O-N 2.87Å
622I92.8Very high91.9Very high4 Ų420.3 Ų20.32%0.02112%0.122CC..SBendtrans-103.9125.6176.3-57175.4000108.7V317 I391 P401 Y618 I625V317-I622 HydrophobicContact CB-CD1 3.98Å; V317-I622 HydrophobicContact CG1-CD1 3.36Å; V317-I622 HydrophobicContact CG2-CD1 3.72Å; I391-I622 HydrophobicContact CB-CG1 4.49Å; I391-I622 HydrophobicContact CD1-CD1 3.8Å; I391-I622 HydrophobicContact CD1-CG1 4.13Å; I391-I622 HydrophobicContact CG1-CD1 4.41Å; I391-I622 HydrophobicContact CG1-CG1 4.24Å; I391-I622 HydrophobicContact CG2-CD1 4.32Å; I391-I622 HydrophobicContact CG2-CG1 3.45Å; I391-I622 VanDerWaalsContact CG2-CG1 3.45Å; P401-I622 VanDerWaalsContact CD-CG2 3.49Å; P401-I622 HydrophobicContact CG-CG2 3.94Å; Y618-I622 PolarHBondContact O-N 3.1Å; I622-I625 HydrophobicContact CB-CD1 3.73Å; I622-I625 HydrophobicContact CB-CG1 3.8Å; I622-I625 HydrophobicContact CD1-CD1 4.26Å; I622-I625 HydrophobicContact CG1-CD1 4.42Å; I622-I625 HydrophobicContact CG2-CD1 4.29Å; I622-I625 HydrophobicContact CG2-CG1 4.11Å; I622-I625 HydrophobicContact CG2-CG2 4.12Å; I622-I625 VanDerWaalsContact O-CG1 3.23Å; I622-I625 WeakPolarHBondContact O-CG1 3.39Å
623P92.8Very high91.7Very high60 Ų6023.5 Ų23.539%0.3914%0.144SC..THydrogen-bonded Turntrans-58.2149.3172.3-24.533.2000113P400 I625P400-P623 HydrophobicContact CB-CB 4.02Å; P400-P623 HydrophobicContact CB-CG 3.99Å; P400-P623 HydrophobicContact CG-CB 4.36Å; P400-P623 HydrophobicContact CG-CG 4.29Å; P623-I625 VanDerWaalsContact C-N 3.31Å; P623-I625 PolarHBondContact O-N 3.24Å
624N95.3Very high91.6Very high69 Ų6926.2 Ų26.237%0.36918%0.175SC..THydrogen-bonded Turntrans62.326.4172.3-45.1-38.8000116.2P401 Q402 F403 G404 F586P401-N624 PolarHBondContact O-ND2 2.93Å; Q402-N624 WeakPolarHBondContact O-CB 3.3Å; F403-N624 CarbonylContact C-O 3.5Å; F403-N624 VanDerWaalsContact CA-O 3.28Å; F403-N624 WeakPolarHBondContact CA-O 3.18Å; G404-N624 PolarHBondContact N-O 3.24Å; F586-N624 HydrophobicContact CE2-CB 4.43Å
625I95.3Very high91.9Very high5 Ų526.6 Ų26.63%0.02617%0.174CC..EExtended strand (participates in β ladder)trans-122.6149.4173.962.5149.5000112V317 P401 G404 A619 I622 P623V317-I625 HydrophobicContact CB-CD1 4.5Å; V317-I625 HydrophobicContact CG2-CD1 4.31Å; P401-I625 HydrophobicContact CG-CG2 3.45Å; P401-I625 VanDerWaalsContact CG-CG2 3.45Å; G404-I625 VanDerWaalsContact O-CA 3.3Å; G404-I625 WeakPolarHBondContact O-CA 3.23Å; A619-I625 HydrophobicContact CB-CD1 4.26Å; A619-I625 HydrophobicContact CB-CG1 4.32Å; I622-I625 HydrophobicContact CB-CD1 3.73Å; I622-I625 HydrophobicContact CB-CG1 3.8Å; I622-I625 HydrophobicContact CD1-CD1 4.26Å; I622-I625 HydrophobicContact CG1-CD1 4.42Å; I622-I625 HydrophobicContact CG2-CD1 4.29Å; I622-I625 HydrophobicContact CG2-CG1 4.11Å; I622-I625 HydrophobicContact CG2-CG2 4.12Å; I622-I625 VanDerWaalsContact O-CG1 3.23Å; I622-I625 WeakPolarHBondContact O-CG1 3.39Å; P623-I625 VanDerWaalsContact C-N 3.31Å; P623-I625 PolarHBondContact O-N 3.24Å
626V96.7Very high92.2Very high2 Ų233.9 Ų33.91%0.01220%0.197CC..EExtended strand (participates in β ladder)trans-120.4160.7177.4-66.50000110.6F403 G404 F405 T406 V413 F586 V593 L596F403-V626 HydrophobicContact CE2-CG2 4.38Å; F403-V626 HydrophobicContact CZ-CG2 3.86Å; G404-V626 PolarHBondContact O-N 3.15Å; G404-V626 VanDerWaalsContact O-N 3.16Å; F405-V626 CarbonylContact C-O 3.49Å; F405-V626 WeakPolarHBondContact CA-O 3.4Å; F405-V626 HydrophobicContact CB-CG2 4.27Å; F405-V626 WeakPolarHBondContact CB-O 3.44Å; T406-V626 PolarHBondContact N-O 3.29Å; V413-V626 HydrophobicContact CG1-CB 3.99Å; V413-V626 HydrophobicContact CG1-CG2 3.67Å; F586-V626 HydrophobicContact CB-CG1 3.77Å; F586-V626 HydrophobicContact CD1-CG1 3.86Å; F586-V626 HydrophobicContact CG-CG1 3.82Å; V593-V626 HydrophobicContact CG2-CG1 4.18Å; L596-V626 HydrophobicContact CD1-CG2 4.14Å
627A96.7Very high92.3Very high0 Ų035.1 Ų35.10%021%0.214CC..EExtended strand (participates in β ladder)trans-84.6141.8172.500000110.6T406 C409 V414 T617T406-A627 HydrophobicContact CG2-CB 3.85Å; C409-A627 HydrophobicContact CB-CB 3.66Å; V414-A627 HydrophobicContact CB-CB 3.67Å; V414-A627 HydrophobicContact CG1-CB 4.27Å; V414-A627 HydrophobicContact CG2-CB 4.21Å; V414-A627 PolarHBondContact N-O 2.98Å; V414-A627 PolarHBondContact O-N 3.06Å; V414-A627 VanDerWaalsContact O-N 3.16Å; T617-A627 HydrophobicContact CG2-CB 4.38Å
628F97.5Very high92.3Very high0 Ų035.5 Ų35.50%022%0.216CC..EExtended strand (participates in β ladder)trans-152.394.2-177.5-173.2-129.3000112.1F405 T406 Y411 V413 L596 I657 Y658F405-F628 HydrophobicContact CB-CB 3.97Å; F405-F628 HydrophobicContact CD2-CB 4.06Å; F405-F628 HydrophobicContact CD2-CD1 4.2Å; F405-F628 HydrophobicContact CE2-CD1 4.41Å; F405-F628 HydrophobicContact CG-CB 4.21Å; F405-F628 HydrophobicContact CG-CD1 4.4Å; T406-F628 PolarHBondContact O-N 2.86Å; Y411-F628 AromaticContact CD1-CD2 3.62Å; Y411-F628 HydrophobicContact CD1-CD2 3.62Å; Y411-F628 AromaticContact CD1-CE2 3.55Å; Y411-F628 HydrophobicContact CD1-CE2 3.55Å; Y411-F628 HydrophobicContact CD1-CG 4.32Å; Y411-F628 HydrophobicContact CD1-CZ 4.2Å; Y411-F628 HydrophobicContact CE1-CD1 4.04Å; Y411-F628 AromaticContact CE1-CD2 3.56Å; Y411-F628 HydrophobicContact CE1-CD2 3.56Å; Y411-F628 AromaticContact CE1-CE1 3.97Å; Y411-F628 HydrophobicContact CE1-CE1 3.97Å; Y411-F628 AromaticContact CE1-CE2 3.49Å; Y411-F628 HydrophobicContact CE1-CE2 3.49Å; Y411-F628 VanDerWaalsContact CE1-CE2 3.49Å; Y411-F628 AromaticContact CE1-CG 3.85Å; Y411-F628 HydrophobicContact CE1-CG 3.85Å; Y411-F628 AromaticContact CE1-CZ 3.7Å; Y411-F628 HydrophobicContact CE1-CZ 3.7Å; V413-F628 HydrophobicContact CB-CD2 4.37Å; V413-F628 HydrophobicContact CG2-CD2 3.63Å; V413-F628 HydrophobicContact CG2-CE2 3.8Å; V413-F628 HydrophobicContact CG2-CG 4.49Å; L596-F628 HydrophobicContact CB-CE1 4.31Å; L596-F628 HydrophobicContact CB-CE2 4.26Å; L596-F628 HydrophobicContact CB-CZ 4.15Å; L596-F628 HydrophobicContact CD1-CD1 4.27Å; L596-F628 HydrophobicContact CD1-CG 4.35Å; L596-F628 HydrophobicContact CD2-CD1 4.14Å; L596-F628 HydrophobicContact CD2-CE1 3.92Å; L596-F628 WeakPolarHBondContact O-CE2 3.47Å; L596-F628 WeakPolarHBondContact O-CZ 3.43Å; F628-I657 HydrophobicContact CD1-CG2 4.48Å; F628-I657 HydrophobicContact CE1-CG2 3.46Å; F628-I657 VanDerWaalsContact CE1-CG2 3.46Å; F628-I657 HydrophobicContact CZ-CG2 3.57Å; F628-Y658 WeakPolarHBondContact O-CE1 3.44Å
629G96.4Very high92.2Very high0 Ų037.1 Ų37.10%023%0.229CC..  trans80.5-174.6-174.400000112.7P407 D408 C409 K410 Y411P407-G629 CarbonylContact C-O 3.57Å; D408-G629 CarbonylContact C-O 3.56Å; D408-G629 PolarHBondContact N-O 3.28Å; D408-G629 VanDerWaalsContact N-O 3.16Å; C409-G629 CarbonylContact C-O 3.56Å; C409-G629 WeakPolarHBondContact CA-O 3.17Å; C409-G629 PolarHBondContact N-O 2.97Å; C409-G629 CarbonylContact O-C 3.57Å; K410-G629 PolarHBondContact O-N 3.15Å; K410-G629 VanDerWaalsContact O-N 3.1Å; Y411-G629 VanDerWaalsContact CZ-CA 3.44Å
630P97.1Very high92.1Very high2 Ų241.1 Ų41.11%0.01325%0.247CC..SBendcis-90.2-11.16.238.6-38.9000113.7L349 P354 P407 C409 F632 M646 N654 Y658L349-P630 HydrophobicContact CD1-CB 4.47Å; L349-P630 HydrophobicContact CD1-CG 3.71Å; L349-P630 HydrophobicContact CG-CG 4.48Å; P354-P630 HydrophobicContact CB-CB 4.13Å; P354-P630 HydrophobicContact CB-CG 4.34Å; P354-P630 HydrophobicContact CG-CB 3.66Å; P354-P630 HydrophobicContact CG-CG 3.56Å; P407-P630 WeakPolarHBondContact O-CD 3.37Å; C409-P630 WeakPolarHBondContact O-CD 3.37Å; P630-F632 PolarHBondContact O-N 2.74Å; P630-M646 HydrophobicContact CB-CE 4.02Å; P630-M646 HydrophobicContact CG-CE 4.28Å; P630-N654 WeakPolarHBondContact CA-OD1 3.48Å; P630-N654 PolarHBondContact O-ND2 3.19Å; P630-N654 PolarHBondContact O-OD1 3.4Å; P630-Y658 WeakPolarHBondContact CA-OH 3.25Å; P630-Y658 WeakPolarHBondContact CB-OH 3.16Å
631S96.7Very high92.2Very high19 Ų1943.5 Ų43.513%0.13326%0.262CS..BIsolated β-bridgetrans-76.1120.1-170.3-53.60000111.2C409 K410 Y411C409-S631 VanDerWaalsContact O-CB 3.28Å; C409-S631 WeakPolarHBondContact O-CB 3.46Å; C409-S631 PolarHBondContact O-N 2.96Å; C409-S631 PolarHBondContact O-OG 3.23Å; K410-S631 CarbonylContact C-O 3.5Å; K410-S631 VanDerWaalsContact CA-O 3.26Å; K410-S631 WeakPolarHBondContact CA-O 3.19Å; Y411-S631 PolarHBondContact N-O 3.44Å
632F94Very high92.4Very high22 Ų2246.1 Ų46.110%0.09628%0.275CS..PPolyproline II helixtrans-75.9161173.9-66.6-82.6000111.6Y411 Y600 T604 P630 G634 Q635 D650 K653 I657Y411-F632 AromaticContact CD2-CD1 3.73Å; Y411-F632 HydrophobicContact CD2-CD1 3.73Å; Y411-F632 AromaticContact CD2-CE1 3.64Å; Y411-F632 HydrophobicContact CD2-CE1 3.64Å; Y411-F632 HydrophobicContact CD2-CG 4.23Å; Y411-F632 HydrophobicContact CD2-CZ 4.06Å; Y411-F632 HydrophobicContact CE2-CD1 4.21Å; Y411-F632 AromaticContact CE2-CE1 3.67Å; Y411-F632 HydrophobicContact CE2-CE1 3.67Å; Y411-F632 HydrophobicContact CE2-CE2 4.24Å; Y411-F632 AromaticContact CE2-CZ 3.68Å; Y411-F632 HydrophobicContact CE2-CZ 3.68Å; Y600-F632 HydrophobicContact CE2-CD1 4.13Å; Y600-F632 HydrophobicContact CE2-CE1 4.09Å; T604-F632 HydrophobicContact CG2-CE1 3.98Å; P630-F632 PolarHBondContact O-N 2.74Å; F632-G634 PolarHBondContact O-N 3.36Å; F632-Q635 WeakPolarHBondContact O-CB 3.35Å; F632-Q635 PolarHBondContact O-N 3.39Å; F632-D650 HydrophobicContact CD2-CB 4.1Å; F632-D650 HydrophobicContact CE2-CB 3.9Å; F632-K653 HydrophobicContact CE1-CG 4.17Å; F632-K653 HydrophobicContact CZ-CB 4.18Å; F632-K653 HydrophobicContact CZ-CG 3.69Å; F632-I657 HydrophobicContact CE1-CD1 3.75Å; F632-I657 HydrophobicContact CZ-CD1 3.84Å
633P88.3Confident92.5Very high88 Ų8847.3 Ų47.357%0.57128%0.282SS*.THydrogen-bonded Turntrans-49.7128.4175.2-29.336.3000112.8Y600Y600-P633 WeakPolarHBondContact OH-CD 3.34Å
634G86.4Confident92.7Very high72 Ų7244.5 Ų44.574%0.74226%0.263SS*.THydrogen-bonded Turntrans93.7-16.4-177.100000114.9F632 K636F632-G634 PolarHBondContact O-N 3.36Å; G634-K636 PolarHBondContact O-N 2.88Å
635Q90.3Very high92.8Very high39 Ų3944.4 Ų44.418%0.18226%0.258CS..  trans-83.999.4174.4-62.2-178.6-29.100109.7F632 I638 D650F632-Q635 WeakPolarHBondContact O-CB 3.35Å; F632-Q635 PolarHBondContact O-N 3.39Å; Q635-I638 HydrophobicContact CB-CD1 4.01Å; Q635-I638 HydrophobicContact CG-CD1 4.47Å; Q635-D650 PolarHBondContact NE2-OD2 3.49Å
636K85.7Confident93Very high182 Ų18244.4 Ų44.479%0.79126%0.258SS*.  trans-135.1146.5-178.3-62.9-177-178.3179.20110.2G634 I638G634-K636 PolarHBondContact O-N 2.88Å; K636-I638 PolarHBondContact O-N 3.31Å
637G83.4Confident93Very high64 Ų6445.7 Ų45.766%0.6627%0.265SS*.SBendtrans65.236.1173.900000113.7N641G637-N641 PolarHBondContact O-ND2 3.25Å
638I91.2Very high93.1Very high12 Ų1246 Ų466%0.06227%0.266CS..  trans-100.1-45.8176.7-58.8167.5000110.4L349 Q635 K636 E644 Y645L349-I638 HydrophobicContact CD2-CB 3.53Å; L349-I638 HydrophobicContact CD2-CG2 3.62Å; Q635-I638 HydrophobicContact CB-CD1 4.01Å; Q635-I638 HydrophobicContact CG-CD1 4.47Å; K636-I638 PolarHBondContact O-N 3.31Å; I638-E644 HydrophobicContact CG2-CG 4.4Å; I638-Y645 HydrophobicContact CB-CE1 4.47Å; I638-Y645 HydrophobicContact CD1-CE1 4.08Å; I638-Y645 HydrophobicContact CD1-CE2 4.02Å; I638-Y645 WeakPolarHBondContact CD1-OH 3.17Å; I638-Y645 HydrophobicContact CG1-CE1 3.89Å; I638-Y645 HydrophobicContact CG2-CD1 3.72Å; I638-Y645 HydrophobicContact CG2-CE1 3.83Å; I638-Y645 HydrophobicContact CG2-CG 4.15Å; I638-Y645 WeakPolarHBondContact CG2-O 3.44Å
639A91.4Very high93Very high33 Ų3353 Ų5327%0.27330%0.296SS..THydrogen-bonded Turntrans-58.3152.4176.200000111.5L349 D350 N641L349-A639 HydrophobicContact CD2-CB 4.17Å; D350-A639 HydrophobicContact CB-CB 3.78Å; A639-N641 PolarHBondContact O-N 2.67Å
640H89Confident93.1Very high91 Ų9153.9 Ų53.942%0.42130%0.302SS..THydrogen-bonded Turntrans63.8-15.4180-52.6164.4000116.3V323 R346 D350 E385V323-H640 HydrophobicContact CG2-CB 4.09Å; R346-H640 PolarHBondContact NH2-O 3.15Å; D350-H640 IonicContact OD2-CD2 2.72Å; D350-H640 PolarHBondContact OD2-CD2 3.02Å; D350-H640 IonicContact OD2-CE1 3.73Å; D350-H640 IonicContact OD2-NE2 3.42Å; D350-H640 PolarHBondContact OD2-NE2 2.83Å; E385-H640 IonicContact OE1-CD2 2.75Å; E385-H640 IonicContact OE1-NE2 2.72Å; E385-H640 PolarHBondContact OE1-NE2 3.23Å; E385-H640 VanDerWaalsContact OE1-NE2 3.16Å; E385-H640 IonicContact OE2-CD2 2.71Å; E385-H640 IonicContact OE2-CE1 3.93Å; E385-H640 PolarHBondContact OE2-CE1 2.75Å; E385-H640 IonicContact OE2-NE2 3.16Å; E385-H640 PolarHBondContact OE2-NE2 3.12Å
641N90.6Very high93.1Very high85 Ų8553.8 Ų53.846%0.45530%0.301SS..SBendtrans-79.5165.6179-71.7-43000113R346 G637 A639R346-N641 PolarHBondContact NH1-O 2.74Å; R346-N641 PolarHBondContact NH2-O 3.18Å; G637-N641 PolarHBondContact O-ND2 3.25Å; A639-N641 PolarHBondContact O-N 2.67Å
642Q92.2Very high93.1Very high120 Ų12053.5 Ų53.556%0.56130%0.298SS*.THydrogen-bonded Turntrans-62.1148.1166.469.9-177.928.900110.2E644Q642-E644 PolarHBondContact O-N 2.79Å
643D95.5Very high93.2Very high29 Ų2955.3 Ų55.316%0.15531%0.306CS..THydrogen-bonded Turntrans53.838.2-176.9-65.4-33.4000113.2S330 Y344 Y645S330-D643 WeakPolarHBondContact CB-OD1 3.15Å; S330-D643 VanDerWaalsContact CB-OD2 3.23Å; S330-D643 WeakPolarHBondContact CB-OD2 3.45Å; S330-D643 PolarHBondContact N-OD1 2.99Å; S330-D643 PolarHBondContact N-OD2 3.45Å; S330-D643 PolarHBondContact OG-OD2 2.77Å; Y344-D643 HydrophobicContact CD1-CB 4.23Å; Y344-D643 HydrophobicContact CE1-CB 4.42Å; D643-Y645 PolarHBondContact O-N 2.76Å
644E97.6Very high93.6Very high1 Ų151.1 Ų51.11%0.00528%0.278CS..  trans-48.8133.2169.7-172.2-168.4138.600110W329 Y344 G345 R346 G347 I348 L349 D350 I638 Q642W329-E644 HydrophobicContact CH2-CB 3.93Å; Y344-E644 WeakPolarHBondContact CA-O 3.22Å; G345-E644 PolarHBondContact N-O 3.09Å; G345-E644 VanDerWaalsContact N-O 3.1Å; R346-E644 WeakPolarHBondContact CD-OE2 3.39Å; R346-E644 IonicContact CZ-OE2 2.67Å; R346-E644 IonicContact NH1-OE2 3.38Å; R346-E644 PolarHBondContact NH1-OE2 3.29Å; G347-E644 VanDerWaalsContact CA-OE1 3.3Å; G347-E644 WeakPolarHBondContact CA-OE1 3.36Å; G347-E644 PolarHBondContact N-OE1 3.35Å; G347-E644 VanDerWaalsContact N-OE1 3.07Å; G347-E644 PolarHBondContact N-OE2 2.99Å; I348-E644 HydrophobicContact CG2-CG 4.06Å; I348-E644 PolarHBondContact N-OE1 2.96Å; I348-E644 VanDerWaalsContact N-OE1 3.11Å; L349-E644 HydrophobicContact CB-CG 4.11Å; L349-E644 PolarHBondContact N-OE1 3.14Å; D350-E644 PolarHBondContact N-OE1 2.81Å; I638-E644 HydrophobicContact CG2-CG 4.4Å; Q642-E644 PolarHBondContact O-N 2.79Å
645Y97.7Very high94.2Very high67 Ų6747.8 Ų47.826%0.26324%0.243SC..EExtended strand (participates in β ladder)trans-143.5161.6-169.675.5-95.8000113.7R342 F343 I638 D643R342-Y645 HydrophobicContact CG-CD2 3.8Å; R342-Y645 HydrophobicContact CG-CG 4.1Å; R342-Y645 VanDerWaalsContact NE-CD2 3.29Å; F343-Y645 CarbonylContact O-C 3.52Å; F343-Y645 WeakPolarHBondContact O-CA 3.42Å; F343-Y645 VanDerWaalsContact O-CB 3.25Å; F343-Y645 WeakPolarHBondContact O-CB 3.45Å; I638-Y645 HydrophobicContact CB-CE1 4.47Å; I638-Y645 HydrophobicContact CD1-CE1 4.08Å; I638-Y645 HydrophobicContact CD1-CE2 4.02Å; I638-Y645 WeakPolarHBondContact CD1-OH 3.17Å; I638-Y645 HydrophobicContact CG1-CE1 3.89Å; I638-Y645 HydrophobicContact CG2-CD1 3.72Å; I638-Y645 HydrophobicContact CG2-CE1 3.83Å; I638-Y645 HydrophobicContact CG2-CG 4.15Å; I638-Y645 WeakPolarHBondContact CG2-O 3.44Å; D643-Y645 PolarHBondContact O-N 2.76Å
646M98.2Very high94.4Very high5 Ų548.1 Ų48.13%0.02525%0.245CC..EExtended strand (participates in β ladder)trans-142.4134.8163.5-169.6177.9-74.500109.3F343 I348 L349 P354 P630 D650 L651F343-M646 PolarHBondContact N-O 2.71Å; F343-M646 PolarHBondContact O-N 3.01Å; I348-M646 HydrophobicContact CG1-CB 3.93Å; L349-M646 HydrophobicContact CB-CE 4.32Å; L349-M646 HydrophobicContact CD1-CE 3.34Å; L349-M646 HydrophobicContact CG-CE 4.4Å; P354-M646 HydrophobicContact CG-CE 4.25Å; P630-M646 HydrophobicContact CB-CE 4.02Å; P630-M646 HydrophobicContact CG-CE 4.28Å; M646-D650 HydrophobicContact CG-CB 4.3Å; M646-L651 HydrophobicContact CG-CB 4.12Å; M646-L651 WeakPolarHBondContact SD-CA 3.5Å; M646-L651 HydrophobicContact SD-CB 3.51Å; M646-L651 VanDerWaalsContact SD-CB 3.51Å; M646-L651 HydrophobicContact SD-CD1 3.56Å; M646-L651 VanDerWaalsContact SD-CD1 3.56Å; M646-L651 HydrophobicContact SD-CG 4.1Å
647D97.8Very high94.9Very high28 Ų2839.5 Ų39.515%0.1521%0.207CC..EExtended strand (participates in β ladder)trans-64.9139.6172.5-70.1-9.9000109.3R342 K649 D650 L651R342-D647 IonicContact CZ-OD1 2.73Å; R342-D647 IonicContact NE-OD1 2.8Å; R342-D647 PolarHBondContact NE-OD1 2.77Å; R342-D647 IonicContact NH2-OD1 3.47Å; R342-D647 PolarHBondContact NH2-OD1 3.37Å; R342-D647 IonicContact NH2-OD2 3.42Å; D647-K649 HydrophobicContact CB-CG 4.1Å; D647-K649 PolarHBondContact O-N 3.14Å; D647-D650 HydrophobicContact CB-CB 4.3Å; D647-D650 PolarHBondContact O-N 3.48Å; D647-L651 PolarHBondContact O-N 3.31Å
648E97.8Very high95.6Very high8 Ų836.4 Ų36.44%0.03718%0.176CC..Hα-helixtrans-55.3-42.8-179.4174.4175.3-14600111.5Y251 K338 Q341 F343 D650 L651 L652Y251-E648 WeakPolarHBondContact OH-CG 3.16Å; Y251-E648 PolarHBondContact OH-OE1 2.87Å; K338-E648 VanDerWaalsContact CE-OE2 3.23Å; K338-E648 WeakPolarHBondContact CE-OE2 3.39Å; K338-E648 IonicContact NZ-OE1 2.91Å; K338-E648 PolarHBondContact NZ-OE1 2.76Å; K338-E648 IonicContact NZ-OE2 3.02Å; K338-E648 PolarHBondContact NZ-OE2 2.84Å; Q341-E648 PolarHBondContact NE2-OE2 2.76Å; Q341-E648 VanDerWaalsContact O-CB 3.27Å; Q341-E648 WeakPolarHBondContact O-CB 3.42Å; Q341-E648 PolarHBondContact O-N 2.83Å; Q341-E648 PolarHBondContact OE1-OE2 3.14Å; Q341-E648 VanDerWaalsContact OE1-OE2 3.1Å; F343-E648 HydrophobicContact CD2-CB 4.13Å; F343-E648 HydrophobicContact CE2-CB 3.83Å; F343-E648 HydrophobicContact CE2-CG 3.87Å; E648-D650 PolarHBondContact O-N 2.88Å; E648-L651 PolarHBondContact O-N 3.3Å; E648-L652 HydrophobicContact CG-CD1 4.32Å; E648-L652 WeakPolarHBondContact O-CG 3.41Å; E648-L652 PolarHBondContact O-N 3.15Å
649K96Very high95.8Very high145 Ų14536.5 Ų36.563%0.6318%0.176SC*.Hα-helixtrans-59.6-36.3177.372.4-178.7-177.1172.50112.1D647 K653D647-K649 HydrophobicContact CB-CG 4.1Å; D647-K649 PolarHBondContact O-N 3.14Å; K649-K653 WeakPolarHBondContact O-CB 3.44Å; K649-K653 PolarHBondContact O-N 3.08Å
650D97.2Very high95.9Very high20 Ų2039.3 Ų39.311%0.10718%0.18CC..Hα-helixtrans-79.5-37.1-176.2-64.6-19.9000109.9F632 Q635 M646 D647 E648 K653 N654F632-D650 HydrophobicContact CD2-CB 4.1Å; F632-D650 HydrophobicContact CE2-CB 3.9Å; Q635-D650 PolarHBondContact NE2-OD2 3.49Å; M646-D650 HydrophobicContact CG-CB 4.3Å; D647-D650 HydrophobicContact CB-CB 4.3Å; D647-D650 PolarHBondContact O-N 3.48Å; E648-D650 PolarHBondContact O-N 2.88Å; D650-K653 PolarHBondContact O-N 3.48Å; D650-N654 VanDerWaalsContact O-CB 3.3Å; D650-N654 WeakPolarHBondContact O-CB 3.45Å; D650-N654 PolarHBondContact O-N 2.91Å; D650-N654 PolarHBondContact O-ND2 3.39Å
651L98.1Very high96.2Very high0 Ų035 Ų350%016%0.16CC..Hα-helixtrans-60.6-45.5172.3-178.360.6000111.8F250 Y251 L254 F343 I348 M646 D647 E648 N654 M655F250-L651 HydrophobicContact CE1-CD1 4.19Å; F250-L651 HydrophobicContact CE1-CD2 3.76Å; F250-L651 HydrophobicContact CE1-CG 3.85Å; F250-L651 HydrophobicContact CZ-CD1 4.15Å; F250-L651 HydrophobicContact CZ-CD2 4.34Å; F250-L651 HydrophobicContact CZ-CG 4.32Å; Y251-L651 HydrophobicContact CE1-CD2 4.32Å; L254-L651 HydrophobicContact CD2-CD2 4.07Å; F343-L651 HydrophobicContact CD2-CD2 4.08Å; F343-L651 HydrophobicContact CE2-CD2 4.3Å; I348-L651 HydrophobicContact CD1-CD2 4.32Å; M646-L651 HydrophobicContact CG-CB 4.12Å; M646-L651 WeakPolarHBondContact SD-CA 3.5Å; M646-L651 HydrophobicContact SD-CB 3.51Å; M646-L651 VanDerWaalsContact SD-CB 3.51Å; M646-L651 HydrophobicContact SD-CD1 3.56Å; M646-L651 VanDerWaalsContact SD-CD1 3.56Å; M646-L651 HydrophobicContact SD-CG 4.1Å; D647-L651 PolarHBondContact O-N 3.31Å; E648-L651 PolarHBondContact O-N 3.3Å; L651-N654 WeakPolarHBondContact O-CB 3.21Å; L651-N654 PolarHBondContact O-N 2.9Å; L651-M655 PolarHBondContact O-N 3.34Å; L651-M655 VanDerWaalsContact O-N 3.13Å
652L96.9Very high96.4Very high12 Ų1230.9 Ų30.96%0.06314%0.138CC..Hα-helixtrans-70.9-36.5177.2-62.7-175.8000112.1I243 E244 K247 Y251 E648 M655 E656I243-L652 HydrophobicContact CG2-CB 4.18Å; I243-L652 HydrophobicContact CG2-CD2 3.76Å; I243-L652 HydrophobicContact CG2-CG 4.37Å; E244-L652 WeakPolarHBondContact OE1-CD1 3.22Å; K247-L652 HydrophobicContact CB-CD2 4.08Å; K247-L652 HydrophobicContact CD-CD1 4.09Å; Y251-L652 HydrophobicContact CE1-CD2 4.23Å; E648-L652 HydrophobicContact CG-CD1 4.32Å; E648-L652 WeakPolarHBondContact O-CG 3.41Å; E648-L652 PolarHBondContact O-N 3.15Å; L652-M655 WeakPolarHBondContact O-CB 3.45Å; L652-M655 PolarHBondContact O-N 3.24Å; L652-E656 PolarHBondContact O-N 3.03Å
653K95.1Very high96.4Very high61 Ų6126.9 Ų26.927%0.26512%0.12SC..Hα-helixtrans-64.9-39.8174-179.357.763.2176.10111.8A603 F632 K649 D650 E656 I657A603-K653 PolarHBondContact O-NZ 2.97Å; F632-K653 HydrophobicContact CE1-CG 4.17Å; F632-K653 HydrophobicContact CZ-CB 4.18Å; F632-K653 HydrophobicContact CZ-CG 3.69Å; K649-K653 WeakPolarHBondContact O-CB 3.44Å; K649-K653 PolarHBondContact O-N 3.08Å; D650-K653 PolarHBondContact O-N 3.48Å; K653-E656 WeakPolarHBondContact CE-OE2 3.41Å; K653-E656 IonicContact NZ-OE1 3.6Å; K653-E656 IonicContact NZ-OE2 3.84Å; K653-E656 PolarHBondContact NZ-OE2 2.93Å; K653-E656 WeakPolarHBondContact O-CB 2.99Å; K653-E656 PolarHBondContact O-N 3.09Å; K653-I657 HydrophobicContact CD-CD1 4.21Å; K653-I657 HydrophobicContact CD-CG1 4.34Å; K653-I657 HydrophobicContact CG-CD1 3.99Å; K653-I657 WeakPolarHBondContact O-CG1 3.45Å; K653-I657 PolarHBondContact O-N 2.81Å
654N98.3Very high96.1Very high0 Ų030.1 Ų30.10%013%0.133CC..Hα-helixtrans-56.3-49.7171-87.9-51.6000110.7Y411 P630 D650 L651 E656 I657 Y658Y411-N654 WeakPolarHBondContact CE2-OD1 3.33Å; Y411-N654 PolarHBondContact OH-OD1 2.85Å; P630-N654 WeakPolarHBondContact CA-OD1 3.48Å; P630-N654 PolarHBondContact O-ND2 3.19Å; P630-N654 PolarHBondContact O-OD1 3.4Å; D650-N654 VanDerWaalsContact O-CB 3.3Å; D650-N654 WeakPolarHBondContact O-CB 3.45Å; D650-N654 PolarHBondContact O-N 2.91Å; D650-N654 PolarHBondContact O-ND2 3.39Å; L651-N654 WeakPolarHBondContact O-CB 3.21Å; L651-N654 PolarHBondContact O-N 2.9Å; N654-E656 VanDerWaalsContact C-N 3.3Å; N654-E656 PolarHBondContact O-N 3.34Å; N654-I657 PolarHBondContact O-N 3.11Å; N654-Y658 HydrophobicContact CB-CD2 4.33Å; N654-Y658 HydrophobicContact CB-CE2 3.7Å; N654-Y658 WeakPolarHBondContact O-CD2 3.36Å; N654-Y658 PolarHBondContact O-N 3.28Å; N654-Y658 PolarHBondContact OD1-OH 3.27Å
655M98.1Very high95.8Very high1 Ų130 Ų301%0.00513%0.133CC..Hα-helixtrans-56.4-43.6176.1-172.2-176.9-63.800112.3I243 F250 A357 F360 L364 L651 L652 Y658 M659I243-M655 HydrophobicContact CD1-CB 4.31Å; I243-M655 HydrophobicContact CD1-CG 4.19Å; I243-M655 HydrophobicContact CD1-SD 4.36Å; I243-M655 HydrophobicContact CG1-CG 4.44Å; I243-M655 HydrophobicContact CG1-SD 4.01Å; I243-M655 HydrophobicContact CG2-SD 3.99Å; F250-M655 HydrophobicContact CB-CE 4.24Å; F250-M655 HydrophobicContact CD1-CE 3.4Å; F250-M655 VanDerWaalsContact CD1-CE 3.4Å; F250-M655 HydrophobicContact CD2-CE 3.66Å; F250-M655 HydrophobicContact CE1-CE 3.5Å; F250-M655 HydrophobicContact CE2-CE 3.77Å; F250-M655 HydrophobicContact CG-CE 3.48Å; F250-M655 VanDerWaalsContact CG-CE 3.48Å; F250-M655 HydrophobicContact CZ-CE 3.69Å; A357-M655 HydrophobicContact CB-CB 4.16Å; A357-M655 HydrophobicContact CB-CE 4.3Å; F360-M655 HydrophobicContact CB-CE 4.13Å; F360-M655 HydrophobicContact CD1-CE 3.88Å; F360-M655 HydrophobicContact CD1-SD 3.99Å; F360-M655 HydrophobicContact CG-CE 4.31Å; L364-M655 HydrophobicContact CD1-SD 4.17Å; L651-M655 PolarHBondContact O-N 3.34Å; L651-M655 VanDerWaalsContact O-N 3.13Å; L652-M655 WeakPolarHBondContact O-CB 3.45Å; L652-M655 PolarHBondContact O-N 3.24Å; M655-Y658 PolarHBondContact O-N 3.03Å; M655-M659 HydrophobicContact CG-CG 4.42Å; M655-M659 HydrophobicContact CG-SD 4.08Å; M655-M659 WeakPolarHBondContact O-CB 3.27Å; M655-M659 VanDerWaalsContact O-CG 3.24Å; M655-M659 WeakPolarHBondContact O-CG 3.32Å; M655-M659 PolarHBondContact O-N 3.39Å
656E95.4Very high95.4Very high47 Ų4726.9 Ų26.922%0.2212%0.12CC..Hα-helixtrans-60-49.5176.1-176.4-174174.400112.2I243 L652 K653 N654 Y658 M659 R660I243-E656 HydrophobicContact CD1-CB 3.74Å; I243-E656 HydrophobicContact CD1-CG 4.46Å; L652-E656 PolarHBondContact O-N 3.03Å; K653-E656 WeakPolarHBondContact CE-OE2 3.41Å; K653-E656 IonicContact NZ-OE1 3.6Å; K653-E656 IonicContact NZ-OE2 3.84Å; K653-E656 PolarHBondContact NZ-OE2 2.93Å; K653-E656 WeakPolarHBondContact O-CB 2.99Å; K653-E656 PolarHBondContact O-N 3.09Å; N654-E656 VanDerWaalsContact C-N 3.3Å; N654-E656 PolarHBondContact O-N 3.34Å; E656-Y658 VanDerWaalsContact C-N 3.34Å; E656-Y658 PolarHBondContact O-N 2.84Å; E656-M659 PolarHBondContact O-N 3.46Å; E656-R660 WeakPolarHBondContact O-CG 3.43Å; E656-R660 PolarHBondContact O-N 3.48Å; E656-R660 IonicContact OE1-CZ 3.46Å; E656-R660 IonicContact OE1-NE 3.93Å; E656-R660 PolarHBondContact OE1-NE 3.04Å; E656-R660 IonicContact OE1-NH2 2.87Å; E656-R660 PolarHBondContact OE1-NH2 2.69Å
657I95.6Very high94.5Very high0 Ų030.9 Ų30.90%014%0.139CC..Hα-helixtrans-59.8-45.8178.5-68.7164000110.2Y411 V599 Y600 A603 T604 F628 F632 K653 N654 R660 G661Y411-I657 HydrophobicContact CE1-CG2 3.91Å; Y411-I657 HydrophobicContact CE2-CD1 4.05Å; Y411-I657 WeakPolarHBondContact OH-CG2 3.41Å; V599-I657 HydrophobicContact CG1-CG2 4.28Å; Y600-I657 HydrophobicContact CD2-CD1 4.19Å; A603-I657 HydrophobicContact CB-CD1 4.47Å; A603-I657 HydrophobicContact CB-CG1 3.62Å; T604-I657 HydrophobicContact CG2-CD1 3.84Å; F628-I657 HydrophobicContact CD1-CG2 4.48Å; F628-I657 HydrophobicContact CE1-CG2 3.46Å; F628-I657 VanDerWaalsContact CE1-CG2 3.46Å; F628-I657 HydrophobicContact CZ-CG2 3.57Å; F632-I657 HydrophobicContact CE1-CD1 3.75Å; F632-I657 HydrophobicContact CZ-CD1 3.84Å; K653-I657 HydrophobicContact CD-CD1 4.21Å; K653-I657 HydrophobicContact CD-CG1 4.34Å; K653-I657 HydrophobicContact CG-CD1 3.99Å; K653-I657 WeakPolarHBondContact O-CG1 3.45Å; K653-I657 PolarHBondContact O-N 2.81Å; N654-I657 PolarHBondContact O-N 3.11Å; I657-R660 PolarHBondContact O-N 2.99Å; I657-G661 PolarHBondContact O-N 3.46Å
658Y98.4Very high94.3Very high0 Ų031.1 Ų31.10%014%0.138CC..Hα-helixtrans-64.8-41.3178.4-58.5-36.2000112.3P354 A357 C358 F405 P407 Y411 F628 P630 N654 M655 E656 G661 M662P354-Y658 HydrophobicContact CB-CE2 4.37Å; A357-Y658 HydrophobicContact CB-CD2 4.27Å; A357-Y658 HydrophobicContact CB-CE2 4.43Å; C358-Y658 WeakPolarHBondContact SG-CD2 3.21Å; C358-Y658 VanDerWaalsContact SG-CG 3.57Å; F405-Y658 AromaticContact CE2-CD1 3.7Å; F405-Y658 HydrophobicContact CE2-CD1 3.7Å; F405-Y658 HydrophobicContact CE2-CE1 4.13Å; F405-Y658 HydrophobicContact CE2-CG 4.48Å; F405-Y658 HydrophobicContact CZ-CD1 4.14Å; P407-Y658 HydrophobicContact CB-CE1 3.76Å; P407-Y658 HydrophobicContact CB-CE2 4.05Å; P407-Y658 VanDerWaalsContact CB-CZ 3.48Å; P407-Y658 WeakPolarHBondContact CB-OH 3.45Å; Y411-Y658 WeakPolarHBondContact OH-CE1 3.44Å; F628-Y658 WeakPolarHBondContact O-CE1 3.44Å; P630-Y658 WeakPolarHBondContact CA-OH 3.25Å; P630-Y658 WeakPolarHBondContact CB-OH 3.16Å; N654-Y658 HydrophobicContact CB-CD2 4.33Å; N654-Y658 HydrophobicContact CB-CE2 3.7Å; N654-Y658 WeakPolarHBondContact O-CD2 3.36Å; N654-Y658 PolarHBondContact O-N 3.28Å; N654-Y658 PolarHBondContact OD1-OH 3.27Å; M655-Y658 PolarHBondContact O-N 3.03Å; E656-Y658 VanDerWaalsContact C-N 3.34Å; E656-Y658 PolarHBondContact O-N 2.84Å; Y658-G661 PolarHBondContact O-N 3.36Å; Y658-M662 VanDerWaalsContact O-CB 3.28Å; Y658-M662 WeakPolarHBondContact O-CB 3.41Å; Y658-M662 WeakPolarHBondContact O-CE 3.44Å; Y658-M662 WeakPolarHBondContact O-CG 3.38Å; Y658-M662 PolarHBondContact O-N 2.62Å
659M95.2Very high94.1Very high14 Ų1432.3 Ų32.37%0.06914%0.144CC..Hα-helixtrans-60.6-47.7175.9-76.8176.66700111.4V242 I243 L364 L365 M368 M655 E656 L663V242-M659 HydrophobicContact CG1-CE 4.01Å; I243-M659 HydrophobicContact CD1-SD 3.94Å; I243-M659 HydrophobicContact CG1-SD 3.91Å; L364-M659 HydrophobicContact CB-CE 3.76Å; L364-M659 HydrophobicContact CB-SD 4.34Å; L364-M659 HydrophobicContact CD1-CE 4.26Å; L364-M659 HydrophobicContact CD1-SD 4Å; L365-M659 HydrophobicContact CD1-CB 4.43Å; L365-M659 HydrophobicContact CD2-CB 4.36Å; L365-M659 HydrophobicContact CD2-CE 3.91Å; L365-M659 HydrophobicContact CG-CB 4.42Å; L365-M659 HydrophobicContact CG-CE 4.11Å; L365-M659 HydrophobicContact CG-CG 4.36Å; M368-M659 HydrophobicContact CE-CE 3.95Å; M655-M659 HydrophobicContact CG-CG 4.42Å; M655-M659 HydrophobicContact CG-SD 4.08Å; M655-M659 WeakPolarHBondContact O-CB 3.27Å; M655-M659 VanDerWaalsContact O-CG 3.24Å; M655-M659 WeakPolarHBondContact O-CG 3.32Å; M655-M659 PolarHBondContact O-N 3.39Å; E656-M659 PolarHBondContact O-N 3.46Å; M659-L663 VanDerWaalsContact O-CB 3.25Å; M659-L663 WeakPolarHBondContact O-CB 3.46Å; M659-L663 PolarHBondContact O-N 3.28Å
660R92.9Very high94Very high91 Ų9126 Ų2634%0.34312%0.117SC..Hα-helixtrans-62.4-45.7177.1-69178.8-175.9-141.37.4111.5V599 E656 I657 L663 K664V599-R660 HydrophobicContact CG1-CB 3.66Å; V599-R660 HydrophobicContact CG2-CB 4.45Å; E656-R660 WeakPolarHBondContact O-CG 3.43Å; E656-R660 PolarHBondContact O-N 3.48Å; E656-R660 IonicContact OE1-CZ 3.46Å; E656-R660 IonicContact OE1-NE 3.93Å; E656-R660 PolarHBondContact OE1-NE 3.04Å; E656-R660 IonicContact OE1-NH2 2.87Å; E656-R660 PolarHBondContact OE1-NH2 2.69Å; I657-R660 PolarHBondContact O-N 2.99Å; R660-L663 PolarHBondContact O-N 3.46Å; R660-K664 WeakPolarHBondContact O-CB 3.36Å; R660-K664 WeakPolarHBondContact O-CG 3.13Å; R660-K664 PolarHBondContact O-N 3.11Å
661G94.6Very high93.8Very high0 Ų026.4 Ų26.40%012%0.117CC..Hα-helixtrans-62.6-48.817900000112.4I657 Y658 L663 K664 L665I657-G661 PolarHBondContact O-N 3.46Å; Y658-G661 PolarHBondContact O-N 3.36Å; G661-L663 PolarHBondContact O-N 3.06Å; G661-K664 PolarHBondContact O-N 3.44Å; G661-L665 WeakPolarHBondContact O-CB 3.4Å; G661-L665 WeakPolarHBondContact O-CG 3.41Å; G661-L665 PolarHBondContact O-N 3.41Å
662M96.4Very high93.6Very high0 Ų028 Ų280%012%0.124CC..Hα-helixtrans-59.9-46175.7-72.4-173.3-6500111.7V316 C358 L362 L365 I376 I378 F405 Y658 L665 I666V316-M662 HydrophobicContact CG2-CG 3.87Å; V316-M662 HydrophobicContact CG2-SD 3.99Å; C358-M662 WeakPolarHBondContact O-CE 3.32Å; L362-M662 HydrophobicContact CB-CE 4.16Å; L362-M662 HydrophobicContact CB-SD 4.27Å; L362-M662 HydrophobicContact CD1-SD 4.16Å; L365-M662 HydrophobicContact CD1-CB 4.18Å; L365-M662 HydrophobicContact CD1-CE 4.26Å; I376-M662 HydrophobicContact CD1-CB 3.74Å; I376-M662 HydrophobicContact CD1-CG 3.63Å; I376-M662 HydrophobicContact CD1-SD 3.8Å; I378-M662 HydrophobicContact CD1-SD 3.69Å; F405-M662 HydrophobicContact CE1-CG 4.27Å; F405-M662 HydrophobicContact CZ-CG 4.14Å; Y658-M662 VanDerWaalsContact O-CB 3.28Å; Y658-M662 WeakPolarHBondContact O-CB 3.41Å; Y658-M662 WeakPolarHBondContact O-CE 3.44Å; Y658-M662 WeakPolarHBondContact O-CG 3.38Å; Y658-M662 PolarHBondContact O-N 2.62Å; M662-L665 PolarHBondContact O-N 3.16Å; M662-I666 VanDerWaalsContact O-CG1 3.31Å; M662-I666 WeakPolarHBondContact O-CG1 3.28Å; M662-I666 WeakPolarHBondContact O-CG2 3.38Å; M662-I666 PolarHBondContact O-N 3.03Å; M662-I666 VanDerWaalsContact O-N 3.16Å
663L90.7Very high93.4Very high36 Ų3629.1 Ų29.119%0.18813%0.129CC..Hα-helixtrans-59.9-49.7179.1-179.460.8000111.3L365 L370 M659 R660 G661 L665 I666 E667L365-L663 HydrophobicContact CD1-CB 4.32Å; L365-L663 HydrophobicContact CD2-CB 4.3Å; L365-L663 HydrophobicContact CD2-CD2 4.4Å; L370-L663 HydrophobicContact CD1-CD1 3.74Å; L370-L663 HydrophobicContact CD1-CD2 4.15Å; M659-L663 VanDerWaalsContact O-CB 3.25Å; M659-L663 WeakPolarHBondContact O-CB 3.46Å; M659-L663 PolarHBondContact O-N 3.28Å; R660-L663 PolarHBondContact O-N 3.46Å; G661-L663 PolarHBondContact O-N 3.06Å; L663-L665 VanDerWaalsContact C-N 3.28Å; L663-L665 PolarHBondContact O-N 2.96Å; L663-I666 WeakPolarHBondContact O-CG1 3.5Å; L663-I666 PolarHBondContact O-N 3.4Å; L663-E667 HydrophobicContact CD1-CG 4.19Å; L663-E667 HydrophobicContact CG-CG 4.39Å; L663-E667 WeakPolarHBondContact CG-OE1 3.31Å; L663-E667 WeakPolarHBondContact O-CG 3.23Å; L663-E667 PolarHBondContact O-N 3.36Å
664K89.2Confident93.2Very high96 Ų9626.8 Ų26.842%0.41712%0.119SC..Hα-helixtrans-63.3-32.3179.6-73.7-69.3178.2-162.60113.4L595 V599 R660 G661 E667L595-K664 HydrophobicContact CD1-CB 4Å; L595-K664 HydrophobicContact CD2-CB 3.57Å; L595-K664 HydrophobicContact CG-CB 3.96Å; V599-K664 HydrophobicContact CG2-CB 4.42Å; V599-K664 HydrophobicContact CG2-CG 4.07Å; R660-K664 WeakPolarHBondContact O-CB 3.36Å; R660-K664 WeakPolarHBondContact O-CG 3.13Å; R660-K664 PolarHBondContact O-N 3.11Å; G661-K664 PolarHBondContact O-N 3.44Å; K664-E667 IonicContact NZ-OE2 3.12Å; K664-E667 PolarHBondContact NZ-OE2 2.95Å
665L92.4Very high92.9Very high0 Ų028.8 Ų28.80%013%0.128CC..Hα-helixtrans-74-29177-70.6172.2000113.1I314 K374 F403 F405 N592 L595 L596 G661 M662 L663I314-L665 HydrophobicContact CD1-CB 4.38Å; I314-L665 HydrophobicContact CG1-CB 4.2Å; I314-L665 HydrophobicContact CG2-CB 3.91Å; I314-L665 HydrophobicContact CG2-CD1 3.9Å; K374-L665 WeakPolarHBondContact CD-O 3.48Å; K374-L665 PolarHBondContact NZ-O 3.47Å; F403-L665 HydrophobicContact CD1-CD1 4.09Å; F403-L665 HydrophobicContact CD1-CD2 3.65Å; F403-L665 HydrophobicContact CE1-CD1 4.08Å; F403-L665 HydrophobicContact CE1-CD2 3.79Å; F405-L665 HydrophobicContact CD1-CD1 4.07Å; F405-L665 HydrophobicContact CE1-CD1 4.13Å; N592-L665 HydrophobicContact CB-CD2 3.98Å; L595-L665 HydrophobicContact CD1-CD2 4.36Å; L595-L665 HydrophobicContact CD2-CD2 3.92Å; L595-L665 HydrophobicContact CD2-CG 4.05Å; L596-L665 HydrophobicContact CD2-CD1 4.05Å; L596-L665 HydrophobicContact CD2-CG 4.49Å; G661-L665 WeakPolarHBondContact O-CB 3.4Å; G661-L665 WeakPolarHBondContact O-CG 3.41Å; G661-L665 PolarHBondContact O-N 3.41Å; M662-L665 PolarHBondContact O-N 3.16Å; L663-L665 VanDerWaalsContact C-N 3.28Å; L663-L665 PolarHBondContact O-N 2.96Å
666I89.2Confident92.4Very high0 Ų031.2 Ų31.20%014%0.138CC..Hα-helixtrans-97.9-13.5-176.570.5-177.3000114.9W307 I314 V372 K373 K374 I376 M662 L663W307-I666 HydrophobicContact CE3-CD1 4.37Å; W307-I666 HydrophobicContact CZ3-CD1 4.01Å; I314-I666 HydrophobicContact CB-CG2 4.28Å; I314-I666 HydrophobicContact CG1-CG2 4.15Å; V372-I666 HydrophobicContact CG1-CD1 4.3Å; V372-I666 HydrophobicContact CG2-CD1 4.16Å; K373-I666 WeakPolarHBondContact CB-O 3.43Å; K373-I666 PolarHBondContact N-O 3.31Å; K373-I666 VanDerWaalsContact N-O 3.1Å; K374-I666 HydrophobicContact CB-CB 4.48Å; K374-I666 PolarHBondContact N-O 2.97Å; K374-I666 VanDerWaalsContact N-O 3.16Å; I376-I666 HydrophobicContact CB-CG2 3.75Å; I376-I666 HydrophobicContact CD1-CG2 3.99Å; I376-I666 HydrophobicContact CG1-CG2 4.38Å; I376-I666 HydrophobicContact CG2-CD1 4.49Å; I376-I666 HydrophobicContact CG2-CG2 4.14Å; M662-I666 VanDerWaalsContact O-CG1 3.31Å; M662-I666 WeakPolarHBondContact O-CG1 3.28Å; M662-I666 WeakPolarHBondContact O-CG2 3.38Å; M662-I666 PolarHBondContact O-N 3.03Å; M662-I666 VanDerWaalsContact O-N 3.16Å; L663-I666 WeakPolarHBondContact O-CG1 3.5Å; L663-I666 PolarHBondContact O-N 3.4Å
667E79.1Confident92.1Very high90 Ų9029.7 Ų29.742%0.42113%0.131SC..  trans-63.90163.3-76.9175.6175.500111.5K373 K374 L663 K664K373-E667 WeakPolarHBondContact CD-O 3.36Å; K373-E667 VanDerWaalsContact CE-O 3.25Å; K373-E667 WeakPolarHBondContact CE-O 3.42Å; K373-E667 PolarHBondContact NZ-O 3.18Å; K374-E667 PolarHBondContact NZ-OXT 3.28Å; L663-E667 HydrophobicContact CD1-CG 4.19Å; L663-E667 HydrophobicContact CG-CG 4.39Å; L663-E667 WeakPolarHBondContact CG-OE1 3.31Å; L663-E667 WeakPolarHBondContact O-CG 3.23Å; L663-E667 PolarHBondContact O-N 3.36Å; K664-E667 IonicContact NZ-OE2 3.12Å; K664-E667 PolarHBondContact NZ-OE2 2.95Å

Retrieved 667 of 667 residues in 205.9 ms (Link to these results)

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