A0A077ZAW8_TRITR Loading...

Proteasome domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZAW8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 234 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
1M74.3Confident91Very high128 Ų12849.5 Ų49.563%0.63126%0.256SS*.  0-52.90-65.6-56.3-88.500111.5A3 I4 N5 P128M1-A3 VanDerWaalsContact C-N 3.33Å; M1-A3 PolarHBondContact O-N 3.39Å; M1-I4 WeakPolarHBondContact O-CB 3.18Å; M1-I4 PolarHBondContact O-N 2.86Å; M1-I4 HydrophobicContact SD-CD1 4.01Å; M1-N5 PolarHBondContact O-N 3.18Å; M1-P128 HydrophobicContact SD-CG 4.47Å
2E87.2Confident91.7Very high154 Ų15445.4 Ų45.472%0.7224%0.235SC*.Hα-helixtrans-52-45.4179.8-67.1-174.215900114.2I4 N5 H6E2-I4 PolarHBondContact O-N 2.88Å; E2-I4 VanDerWaalsContact O-N 3.16Å; E2-N5 PolarHBondContact O-N 2.94Å; E2-H6 PolarHBondContact O-CD2 3.43Å; E2-H6 PolarHBondContact O-N 3.37Å; E2-H6 VanDerWaalsContact O-N 3.1Å
3A90.5Very high92.2Very high39 Ų3941.9 Ų41.932%0.32222%0.217SC..Hα-helixtrans-58.2-30.8177.800000113.9M1 A7 I55M1-A3 VanDerWaalsContact C-N 3.33Å; M1-A3 PolarHBondContact O-N 3.39Å; A3-A7 PolarHBondContact O-N 3.35Å; A3-I55 HydrophobicContact CB-CD1 4.3Å; A3-I55 HydrophobicContact CB-CG1 3.85Å
4I93.7Very high92.7Very high6 Ų639.3 Ų39.33%0.03120%0.203CC..Hα-helixtrans-73-43.1177-61.9153.4000109.5M1 E2 H6 A7 A53 S109 P128 G141M1-I4 WeakPolarHBondContact O-CB 3.18Å; M1-I4 PolarHBondContact O-N 2.86Å; M1-I4 HydrophobicContact SD-CD1 4.01Å; E2-I4 PolarHBondContact O-N 2.88Å; E2-I4 VanDerWaalsContact O-N 3.16Å; I4-H6 PolarHBondContact O-N 2.91Å; I4-A7 WeakPolarHBondContact O-CB 3.3Å; I4-A7 PolarHBondContact O-N 2.95Å; I4-A53 HydrophobicContact CG2-CB 4.09Å; I4-S109 WeakPolarHBondContact CD1-OG 3.29Å; I4-P128 HydrophobicContact CD1-CG 3.52Å; I4-G141 WeakPolarHBondContact O-CA 3.38Å
5N91.7Very high93.1Very high67 Ų6736.7 Ų36.736%0.35819%0.19SC..Hα-helixtrans-64.9-24178.9-64.2-8.6000112.6M1 E2 N142M1-N5 PolarHBondContact O-N 3.18Å; E2-N5 PolarHBondContact O-N 2.94Å; N5-N142 WeakPolarHBondContact O-CA 3.07Å; N5-N142 WeakPolarHBondContact O-CB 3.29Å; N5-N142 PolarHBondContact O-OD1 3.36Å
6H90.1Very high93.3Very high136 Ų13640.9 Ų40.963%0.6321%0.207SC*.THydrogen-bonded Turntrans-86.7-10.8173-70.4-63.3000114.2E2 I4 R26E2-H6 PolarHBondContact O-CD2 3.43Å; E2-H6 PolarHBondContact O-N 3.37Å; E2-H6 VanDerWaalsContact O-N 3.1Å; I4-H6 PolarHBondContact O-N 2.91Å; H6-R26 PolarHBondContact O-NH1 2.97Å
7A92.3Very high93.5Very high14 Ų1444.1 Ų44.112%0.11622%0.22CC..SBendtrans-81.1146.7173.400000110A3 I4 A53 N142A3-A7 PolarHBondContact O-N 3.35Å; I4-A7 WeakPolarHBondContact O-CB 3.3Å; I4-A7 PolarHBondContact O-N 2.95Å; A7-A53 HydrophobicContact CB-CB 4.05Å; A7-N142 WeakPolarHBondContact O-CB 3.42Å; A7-N142 PolarHBondContact O-N 3.04Å
8G91.6Very high93.7Very high1 Ų141.7 Ų41.71%0.0121%0.208CC..PPolyproline II helixtrans-58.6156.5176.100000113E24 K40G8-E24 WeakPolarHBondContact CA-OE2 3.16Å; G8-K40 VanDerWaalsContact N-NZ 3.1Å; G8-K40 PolarHBondContact O-NZ 2.68Å
9T94.8Very high94Very high0 Ų039.5 Ų39.50%020%0.198CC..PPolyproline II helixtrans-54.7139.4-177.4-52.30000111.9A23 E24 C139 N142 L173 T176T9-A23 CarbonylContact O-C 3.47Å; T9-A23 VanDerWaalsContact O-CA 3.3Å; T9-A23 WeakPolarHBondContact O-CA 3.5Å; T9-E24 PolarHBondContact N-OE2 3.18Å; T9-E24 VanDerWaalsContact N-OE2 3.15Å; T9-E24 PolarHBondContact O-N 3.44Å; T9-C139 WeakPolarHBondContact CG2-SG 3.24Å; T9-N142 PolarHBondContact OG1-O 3.48Å; T9-L173 HydrophobicContact CG2-CD2 4.26Å; T9-T176 PolarHBondContact OG1-OG1 3.02Å; T9-T176 VanDerWaalsContact OG1-OG1 3.11Å
10C97.2Very high94.2Very high0 Ų037.6 Ų37.60%019%0.188CC..EExtended strand (participates in β ladder)trans-132.1129.8166.1-55.40000108.6A22 A23 S51 V52 L111 C139 I140C10-A22 CarbonylContact C-O 3.52Å; C10-A22 WeakPolarHBondContact CA-O 3.33Å; C10-A23 HydrophobicContact CB-CB 4.4Å; C10-S51 WeakPolarHBondContact CB-OG 3.38Å; C10-S51 PolarHBondContact SG-OG 3.39Å; C10-V52 PolarHBondContact SG-O 2.84Å; C10-V52 VanDerWaalsContact SG-O 3.36Å; C10-L111 HydrophobicContact CB-CD1 4.34Å; C10-C139 CarbonylContact O-C 3.54Å; C10-C139 WeakPolarHBondContact O-CA 3.47Å; C10-C139 PolarHBondContact O-SG 2.96Å; C10-C139 VanDerWaalsContact O-SG 3.41Å; C10-I140 HydrophobicContact CB-CD1 4.34Å; C10-I140 HydrophobicContact CB-CG1 3.8Å; C10-I140 PolarHBondContact N-O 3.41Å; C10-I140 PolarHBondContact O-N 3Å
11L97.9Very high94.4Very high0 Ų035.9 Ų35.90%018%0.179CC..EExtended strand (participates in β ladder)trans-131.5148.1-177.173.493.2000111.1I13 L21 A22 T138 C139 A169 I172 L173L11-I13 HydrophobicContact CD1-CD1 3.78Å; L11-I13 HydrophobicContact CD1-CG1 3.79Å; L11-L21 WeakPolarHBondContact O-CA 3.48Å; L11-A22 HydrophobicContact CD1-CB 4.19Å; L11-A22 HydrophobicContact CD2-CB 4.26Å; L11-A22 HydrophobicContact CG-CB 4Å; L11-A22 PolarHBondContact N-O 3.42Å; L11-A22 PolarHBondContact O-N 2.84Å; L11-T138 WeakPolarHBondContact CA-O 3.33Å; L11-C139 HydrophobicContact CB-CB 4.26Å; L11-A169 HydrophobicContact CD1-CB 3.59Å; L11-A169 HydrophobicContact CD2-CB 4.18Å; L11-A169 HydrophobicContact CG-CB 4.44Å; L11-I172 HydrophobicContact CD2-CB 4.03Å; L11-I172 HydrophobicContact CD2-CG2 3.77Å; L11-L173 HydrophobicContact CD2-CD2 3.99Å; L11-L173 HydrophobicContact CD2-CG 3.87Å
12G98.8Very high95.6Very high0 Ų029.8 Ų29.80%015%0.149CC..EExtended strand (participates in β ladder)trans-127.3136.1172.300000110.5V20 L123 A137 T138G12-V20 CarbonylContact C-O 3.59Å; G12-V20 VanDerWaalsContact CA-O 3.29Å; G12-V20 WeakPolarHBondContact CA-O 3.14Å; G12-L123 VanDerWaalsContact O-CD2 3.3Å; G12-L123 WeakPolarHBondContact O-CD2 3.47Å; G12-A137 CarbonylContact O-C 3.58Å; G12-A137 WeakPolarHBondContact O-CA 3.43Å; G12-T138 PolarHBondContact N-O 2.98Å; G12-T138 PolarHBondContact O-N 3.07Å
13I98.9Very high96Very high0 Ų022.4 Ų22.40%012%0.115CC..EExtended strand (participates in β ladder)trans-132.5116.4177.6-58.2172.9000108.6L11 V19 V20 A137 L151 Y155 A165 L168 A169L11-I13 HydrophobicContact CD1-CD1 3.78Å; L11-I13 HydrophobicContact CD1-CG1 3.79Å; I13-V19 WeakPolarHBondContact O-CA 3.48Å; I13-V19 WeakPolarHBondContact O-CG1 3.21Å; I13-V20 PolarHBondContact N-O 3.29Å; I13-V20 PolarHBondContact O-N 3.49Å; I13-A137 HydrophobicContact CG1-CB 4.24Å; I13-A137 HydrophobicContact CG2-CB 4.47Å; I13-L151 HydrophobicContact CD1-CD2 3.98Å; I13-L151 HydrophobicContact CG1-CD2 3.98Å; I13-Y155 HydrophobicContact CG2-CD2 3.73Å; I13-Y155 HydrophobicContact CG2-CE2 3.57Å; I13-A165 HydrophobicContact CB-CB 4.36Å; I13-A165 HydrophobicContact CG2-CB 3.74Å; I13-L168 HydrophobicContact CD1-CB 4.21Å; I13-L168 HydrophobicContact CD1-CD2 4.13Å; I13-L168 HydrophobicContact CD1-CG 3.95Å; I13-A169 HydrophobicContact CD1-CB 4.16Å
14V98.8Very high96.2Very high5 Ų521.2 Ų21.23%0.0310%0.103CC..EExtended strand (participates in β ladder)trans-87.3136.8175.9-175.90000109.3V19 F121 L123 K136 Y155 Y157V14-V19 HydrophobicContact CB-CG2 4.42Å; V14-V19 HydrophobicContact CG1-CG2 4.19Å; V14-V19 HydrophobicContact CG2-CG1 4.1Å; V14-V19 HydrophobicContact CG2-CG2 4.13Å; V14-F121 HydrophobicContact CG1-CB 3.93Å; V14-L123 HydrophobicContact CG2-CB 3.42Å; V14-L123 VanDerWaalsContact CG2-CB 3.42Å; V14-L123 HydrophobicContact CG2-CD2 4.19Å; V14-L123 HydrophobicContact CG2-CG 4.48Å; V14-K136 VanDerWaalsContact CB-O 3.26Å; V14-K136 WeakPolarHBondContact CB-O 3.35Å; V14-K136 WeakPolarHBondContact CG2-O 3.33Å; V14-K136 PolarHBondContact N-O 3.2Å; V14-Y155 WeakPolarHBondContact O-CE2 3.4Å; V14-Y155 PolarHBondContact O-OH 3.4Å; V14-Y157 HydrophobicContact CG1-CE2 4.12Å
15T98.6Very high96.1Very high0 Ų021.1 Ų21.10%010%0.102CC..  trans-127174.1169.881.10000109.4Q17 G18 I160 A165T15-Q17 PolarHBondContact O-N 3.19Å; T15-Q17 PolarHBondContact OG1-N 3.31Å; T15-Q17 VanDerWaalsContact OG1-N 3.11Å; T15-Q17 PolarHBondContact OG1-OE1 2.95Å; T15-G18 WeakPolarHBondContact CA-O 3.46Å; T15-G18 PolarHBondContact N-O 3.47Å; T15-G18 PolarHBondContact OG1-N 3.17Å; T15-G18 VanDerWaalsContact OG1-N 3.08Å; T15-G18 PolarHBondContact OG1-O 3Å; T15-G18 VanDerWaalsContact OG1-O 3.12Å; T15-I160 HydrophobicContact CG2-CG2 4.16Å; T15-A165 HydrophobicContact CG2-CB 3.46Å; T15-A165 VanDerWaalsContact CG2-CB 3.46Å
16K96.3Very high95.7Very high105 Ų10522.3 Ų22.346%0.45710%0.102SC..SBendtrans-68.5-21.6173.7-66.7177.1-177.3169.50112.5Y157 D158K16-Y157 HydrophobicContact CG-CE1 4.3Å; K16-Y157 HydrophobicContact CG-CE2 4.4Å; K16-D158 WeakPolarHBondContact CE-OD1 3.48Å; K16-D158 IonicContact NZ-OD1 3.22Å; K16-D158 PolarHBondContact NZ-OD1 3.38Å
17Q96.4Very high95Very high95 Ų9519.8 Ų19.844%0.4449%0.093SC..SBendtrans-97-21.1-177.6-56.982.91700113.2T15 F121 L162T15-Q17 PolarHBondContact O-N 3.19Å; T15-Q17 PolarHBondContact OG1-N 3.31Å; T15-Q17 VanDerWaalsContact OG1-N 3.11Å; T15-Q17 PolarHBondContact OG1-OE1 2.95Å; Q17-F121 VanDerWaalsContact C-CE2 3.49Å; Q17-L162 HydrophobicContact CB-CB 4.23Å
18G98.1Very high94.1Very high0 Ų021.9 Ų21.90%010%0.104CC..EExtended strand (participates in β ladder)trans174.8-170.2-175.500000113.6T15 M191T15-G18 WeakPolarHBondContact CA-O 3.46Å; T15-G18 PolarHBondContact N-O 3.47Å; T15-G18 PolarHBondContact OG1-N 3.17Å; T15-G18 VanDerWaalsContact OG1-N 3.08Å; T15-G18 PolarHBondContact OG1-O 3Å; T15-G18 VanDerWaalsContact OG1-O 3.12Å; G18-M191 CarbonylContact C-O 3.45Å; G18-M191 WeakPolarHBondContact CA-O 3.37Å
19V98.8Very high93.7Very high1 Ų126.3 Ų26.31%0.00613%0.128CC..EExtended strand (participates in β ladder)trans-127.8130.5174.6-170.60000109.4I13 V14 V113 F121 V190 M191I13-V19 WeakPolarHBondContact O-CA 3.48Å; I13-V19 WeakPolarHBondContact O-CG1 3.21Å; V14-V19 HydrophobicContact CB-CG2 4.42Å; V14-V19 HydrophobicContact CG1-CG2 4.19Å; V14-V19 HydrophobicContact CG2-CG1 4.1Å; V14-V19 HydrophobicContact CG2-CG2 4.13Å; V19-V113 HydrophobicContact CB-CG1 3.52Å; V19-V113 HydrophobicContact CG1-CB 4.32Å; V19-V113 HydrophobicContact CG1-CG1 3.58Å; V19-V113 HydrophobicContact CG1-CG2 3.72Å; V19-V113 HydrophobicContact CG2-CG1 3.85Å; V19-F121 HydrophobicContact CG2-CB 3.61Å; V19-F121 HydrophobicContact CG2-CD1 3.87Å; V19-F121 HydrophobicContact CG2-CG 3.96Å; V19-V190 WeakPolarHBondContact O-CA 3.4Å; V19-M191 HydrophobicContact CB-CB 4.37Å; V19-M191 PolarHBondContact N-O 2.72Å; V19-M191 PolarHBondContact O-N 2.86Å
20V98.8Very high93.1Very high0 Ų036 Ų360%017%0.17CC..EExtended strand (participates in β ladder)trans-93.2129.9169.8176.10000108.3G12 I13 L162 A165 L166 A169 I188G12-V20 CarbonylContact C-O 3.59Å; G12-V20 VanDerWaalsContact CA-O 3.29Å; G12-V20 WeakPolarHBondContact CA-O 3.14Å; I13-V20 PolarHBondContact N-O 3.29Å; I13-V20 PolarHBondContact O-N 3.49Å; V20-L162 HydrophobicContact CG2-CD1 3.8Å; V20-A165 HydrophobicContact CG2-CB 4.02Å; V20-L166 HydrophobicContact CB-CD2 4.38Å; V20-L166 HydrophobicContact CG1-CD2 3.69Å; V20-L166 HydrophobicContact CG1-CG 4.49Å; V20-L166 HydrophobicContact CG2-CD2 3.75Å; V20-L166 HydrophobicContact CG2-CG 3.75Å; V20-A169 HydrophobicContact CG1-CB 3.92Å; V20-I188 HydrophobicContact CG1-CG2 4.46Å
21L98.6Very high92.6Very high2 Ų243.7 Ų43.71%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-121.3119.3169.9-171.568.2000107.6L11 I41 V49 L111 V113 I188 A189L11-L21 WeakPolarHBondContact O-CA 3.48Å; L21-I41 HydrophobicContact CD2-CD1 4.47Å; L21-I41 HydrophobicContact CD2-CG1 4.42Å; L21-I41 HydrophobicContact CD2-CG2 4.13Å; L21-I41 HydrophobicContact CG-CD1 4.32Å; L21-V49 HydrophobicContact CD2-CG1 4.16Å; L21-V49 HydrophobicContact CD2-CG2 4.16Å; L21-L111 HydrophobicContact CD1-CB 4.02Å; L21-L111 HydrophobicContact CD1-CD1 4.18Å; L21-V113 HydrophobicContact CB-CG2 4.46Å; L21-V113 HydrophobicContact CD1-CG2 4.06Å; L21-V113 HydrophobicContact CD2-CG2 4.39Å; L21-I188 CarbonylContact O-C 3.55Å; L21-I188 WeakPolarHBondContact O-CA 3.27Å; L21-A189 HydrophobicContact CB-CB 4.48Å; L21-A189 PolarHBondContact N-O 3.16Å; L21-A189 PolarHBondContact O-N 3.39Å
22A98.1Very high91.9Very high0 Ų046.4 Ų46.40%022%0.224CC..EExtended strand (participates in β ladder)trans-131142.3-17700000110.9C10 L11 A169 L173 E187 I188C10-A22 CarbonylContact C-O 3.52Å; C10-A22 WeakPolarHBondContact CA-O 3.33Å; L11-A22 HydrophobicContact CD1-CB 4.19Å; L11-A22 HydrophobicContact CD2-CB 4.26Å; L11-A22 HydrophobicContact CG-CB 4Å; L11-A22 PolarHBondContact N-O 3.42Å; L11-A22 PolarHBondContact O-N 2.84Å; A22-A169 HydrophobicContact CB-CB 4.08Å; A22-L173 HydrophobicContact CB-CD1 3.86Å; A22-E187 CarbonylContact C-O 3.58Å; A22-E187 VanDerWaalsContact CA-O 3.32Å; A22-E187 WeakPolarHBondContact CA-O 3.47Å; A22-I188 HydrophobicContact CB-CG1 4.23Å
23A96.1Very high91Very high0 Ų050.5 Ų50.50%025%0.246CC..EExtended strand (participates in β ladder)trans-142145.7-175.500000112.1T9 C10 K40 I41 V186 E187T9-A23 CarbonylContact O-C 3.47Å; T9-A23 VanDerWaalsContact O-CA 3.3Å; T9-A23 WeakPolarHBondContact O-CA 3.5Å; C10-A23 HydrophobicContact CB-CB 4.4Å; A23-K40 HydrophobicContact CB-CB 3.81Å; A23-K40 HydrophobicContact CB-CD 3.85Å; A23-I41 HydrophobicContact CB-CG1 4.3Å; A23-V186 CarbonylContact O-C 3.56Å; A23-V186 WeakPolarHBondContact O-CA 3.37Å; A23-E187 HydrophobicContact CB-CB 4.45Å; A23-E187 PolarHBondContact N-O 2.9Å; A23-E187 PolarHBondContact O-N 3.27Å
24E94.3Very high89.9Confident13 Ų1351.9 Ų51.96%0.06125%0.254CS..EExtended strand (participates in β ladder)trans-91.4118.3174.6-179.8-160.6-162.600110.3G8 T9 R26 K40 L173 K185G8-E24 WeakPolarHBondContact CA-OE2 3.16Å; T9-E24 PolarHBondContact N-OE2 3.18Å; T9-E24 VanDerWaalsContact N-OE2 3.15Å; T9-E24 PolarHBondContact O-N 3.44Å; E24-R26 IonicContact OE2-NE 3.58Å; E24-K40 VanDerWaalsContact O-CD 3.29Å; E24-K40 WeakPolarHBondContact O-CD 3.17Å; E24-K40 WeakPolarHBondContact O-CE 3.37Å; E24-K40 PolarHBondContact O-NZ 3.19Å; E24-L173 HydrophobicContact CB-CD2 4.3Å; E24-K185 CarbonylContact C-O 3.55Å; E24-K185 VanDerWaalsContact CA-O 3.3Å; E24-K185 WeakPolarHBondContact CA-O 3.39Å
25N91Very high88.8Confident5 Ų558.7 Ų58.73%0.02729%0.285CS..  trans-84.2123.4168.2-71.1-5.8000110.1K185 E187N25-K185 PolarHBondContact N-O 2.85Å; N25-E187 WeakPolarHBondContact ND2-CG 3.39Å; N25-E187 PolarHBondContact ND2-OE1 3.43Å; N25-E187 PolarHBondContact OD1-OE1 2.89Å
26R83.5Confident87.6Confident91 Ų9163.4 Ų63.434%0.34331%0.314SS..  trans-89.2-30.6-179.6-73.6-173.7165.5-146.4-26.6112.4H6 E24 T28 N142 E178H6-R26 PolarHBondContact O-NH1 2.97Å; E24-R26 IonicContact OE2-NE 3.58Å; R26-T28 PolarHBondContact O-N 2.8Å; R26-N142 VanDerWaalsContact NH2-CG 3.33Å; R26-N142 PolarHBondContact NH2-ND2 2.67Å; R26-E178 IonicContact CZ-OE1 2.83Å; R26-E178 IonicContact NH2-OE1 3.67Å; R26-E178 PolarHBondContact NH2-OE1 2.83Å
27N76.2Confident86.4Confident83 Ų8364.9 Ų64.944%0.44432%0.324SS..  trans-88.5107.7179.3-174.718.8000109.6L32N27-L32 WeakPolarHBondContact O-CD2 3.36Å
28T74.2Confident85.5Confident58 Ų5862.8 Ų62.836%0.35632%0.315SS..  trans-119.133.4-177.545.80000112R26 K30 E184 K185R26-T28 PolarHBondContact O-N 2.8Å; T28-K30 PolarHBondContact O-N 2.83Å; T28-E184 HydrophobicContact CG2-CB 4.38Å; T28-E184 HydrophobicContact CG2-CG 3.73Å; T28-K185 HydrophobicContact CG2-CB 4.45Å; T28-K185 HydrophobicContact CG2-CG 3.48Å; T28-K185 VanDerWaalsContact CG2-CG 3.48Å
29N83Confident84.8Confident94 Ų9465 Ų6550%0.50333%0.326SS..  trans-61.6132177.6-166.7-52.4000110.1L31 L32N29-L31 PolarHBondContact O-N 3.46Å; N29-L31 PolarHBondContact OD1-N 3.09Å; N29-L32 HydrophobicContact CB-CB 4.43Å; N29-L32 WeakPolarHBondContact O-CB 3.31Å; N29-L32 PolarHBondContact O-N 3.39Å
30K80.8Confident84.6Confident204 Ų20465.9 Ų65.989%0.88733%0.329SS*.THydrogen-bonded Turntrans-56.2-23.5178.6-176.3177.1177.5-1770114T28T28-K30 PolarHBondContact O-N 2.83Å
31L87.8Confident84.5Confident161 Ų16165.9 Ų65.984%0.84333%0.33SS*.THydrogen-bonded Turntrans-87.2-9.9176.9-58-178.3000113.4N29N29-L31 PolarHBondContact O-N 3.46Å; N29-L31 PolarHBondContact OD1-N 3.09Å
32L82.6Confident84.4Confident58 Ų5867.1 Ų67.130%0.30433%0.334SS..SBendtrans-72.2131.1172-174.971.6000108.4N27 N29 D34 E39N27-L32 WeakPolarHBondContact O-CD2 3.36Å; N29-L32 HydrophobicContact CB-CB 4.43Å; N29-L32 WeakPolarHBondContact O-CB 3.31Å; N29-L32 PolarHBondContact O-N 3.39Å; L32-D34 PolarHBondContact O-N 3.31Å; L32-E39 WeakPolarHBondContact CD2-OE1 3.46Å
33D81.1Confident84.3Confident85 Ų8571.6 Ų71.646%0.45535%0.354SS..  trans-85.888.2173.6-167-26.6000109.2E35 V36 M37D33-E35 PolarHBondContact O-N 3.26Å; D33-E35 PolarHBondContact OD1-N 3.08Å; D33-V36 HydrophobicContact CB-CB 4.41Å; D33-V36 VanDerWaalsContact CG-CG2 3.45Å; D33-V36 WeakPolarHBondContact OD1-CB 3.25Å; D33-V36 WeakPolarHBondContact OD1-CG2 3.46Å; D33-V36 PolarHBondContact OD1-N 3.13Å; D33-V36 WeakPolarHBondContact OD2-CG2 3.04Å; D33-M37 PolarHBondContact O-N 3.14Å
34D75Confident84.3Confident29 Ų2971.9 Ų71.916%0.15536%0.355CS..THydrogen-bonded Turntrans-77.1-0.9179.569-43.1000113.4L32 E184 K205L32-D34 PolarHBondContact O-N 3.31Å; D34-E184 WeakPolarHBondContact OD2-CB 3.45Å; D34-K205 IonicContact OD1-NZ 2.85Å; D34-K205 PolarHBondContact OD1-NZ 3.12Å; D34-K205 IonicContact OD2-NZ 2.66Å; D34-K205 PolarHBondContact OD2-NZ 2.71Å
35E75.1Confident84.4Confident148 Ų14871.8 Ų71.869%0.69236%0.355SS*.THydrogen-bonded Turntrans-97.8-38.3176.2-64.9-175.4178.800111.7D33D33-E35 PolarHBondContact O-N 3.26Å; D33-E35 PolarHBondContact OD1-N 3.08Å
36V74.1Confident84.5Confident100 Ų10077 Ų7761%0.60638%0.379SS*.THydrogen-bonded Turntrans-83.7-36.7-178.6176.40000112.5D33D33-V36 HydrophobicContact CB-CB 4.41Å; D33-V36 VanDerWaalsContact CG-CG2 3.45Å; D33-V36 WeakPolarHBondContact OD1-CB 3.25Å; D33-V36 WeakPolarHBondContact OD1-CG2 3.46Å; D33-V36 PolarHBondContact OD1-N 3.13Å; D33-V36 WeakPolarHBondContact OD2-CG2 3.04Å
37M71.7Confident85Confident136 Ų13673.3 Ų73.367%0.6737%0.367SS*.  trans-125.1118.4-175.4-72.5-68.1175.400111.4D33D33-M37 PolarHBondContact O-N 3.14Å
38L77.4Confident86.1Confident50 Ų5069.5 Ų69.526%0.26235%0.346SS..  trans-76136.8167-59.8168.9000109.4I41 E187 I202L38-I41 WeakPolarHBondContact CB-O 3.4Å; L38-I41 WeakPolarHBondContact CD1-O 3.26Å; L38-E187 WeakPolarHBondContact CA-OE1 3.07Å; L38-E187 HydrophobicContact CD2-CG 4.05Å; L38-I202 HydrophobicContact CD1-CD1 3.32Å; L38-I202 HydrophobicContact CD1-CG1 4.42Å; L38-I202 HydrophobicContact CD1-CG2 3.8Å; L38-I202 HydrophobicContact CD2-CG2 3.97Å
39E83.5Confident87.3Confident48 Ų4866.8 Ų66.822%0.22433%0.33CS..SBendtrans-86.4-29.1179.5-63.6-160.6146.500111.9L32 Y42 E187L32-E39 WeakPolarHBondContact CD2-OE1 3.46Å; E39-Y42 PolarHBondContact O-OH 3.46Å; E39-E187 PolarHBondContact N-OE1 3.38Å
40K93.2Very high88Confident18 Ų1862.3 Ų62.38%0.07831%0.306CS..SBendtrans-129.4-34-164.8-69.7-166.6165-164.30115.6G8 A23 E24 Y42 S51 V52 E187G8-K40 VanDerWaalsContact N-NZ 3.1Å; G8-K40 PolarHBondContact O-NZ 2.68Å; A23-K40 HydrophobicContact CB-CB 3.81Å; A23-K40 HydrophobicContact CB-CD 3.85Å; E24-K40 VanDerWaalsContact O-CD 3.29Å; E24-K40 WeakPolarHBondContact O-CD 3.17Å; E24-K40 WeakPolarHBondContact O-CE 3.37Å; E24-K40 PolarHBondContact O-NZ 3.19Å; K40-Y42 VanDerWaalsContact C-CE2 3.49Å; K40-Y42 VanDerWaalsContact O-CD2 3.27Å; K40-Y42 WeakPolarHBondContact O-CD2 3.44Å; K40-Y42 VanDerWaalsContact O-CE2 3.32Å; K40-Y42 WeakPolarHBondContact O-CE2 3.46Å; K40-S51 VanDerWaalsContact O-CA 3.27Å; K40-S51 WeakPolarHBondContact O-CA 3.44Å; K40-V52 PolarHBondContact O-N 3.46Å; K40-V52 VanDerWaalsContact O-N 3.1Å; K40-E187 PolarHBondContact N-OE2 3.23Å; K40-E187 VanDerWaalsContact N-OE2 3.09Å
41I96.6Very high88.8Confident1 Ų152.6 Ų52.61%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-99.6125.1-179.3-60.1-176.5000110.9L21 A23 L38 V49 C50 E187 A189 I202L21-I41 HydrophobicContact CD2-CD1 4.47Å; L21-I41 HydrophobicContact CD2-CG1 4.42Å; L21-I41 HydrophobicContact CD2-CG2 4.13Å; L21-I41 HydrophobicContact CG-CD1 4.32Å; A23-I41 HydrophobicContact CB-CG1 4.3Å; L38-I41 WeakPolarHBondContact CB-O 3.4Å; L38-I41 WeakPolarHBondContact CD1-O 3.26Å; I41-V49 HydrophobicContact CG2-CG2 3.52Å; I41-C50 CarbonylContact C-O 3.58Å; I41-C50 WeakPolarHBondContact CA-O 3.24Å; I41-E187 HydrophobicContact CD1-CB 3.84Å; I41-E187 HydrophobicContact CG1-CB 4.11Å; I41-E187 PolarHBondContact N-OE2 2.93Å; I41-A189 HydrophobicContact CD1-CB 4.04Å; I41-A189 HydrophobicContact CG2-CB 3.83Å; I41-I202 HydrophobicContact CG2-CD1 4.42Å
42Y96.7Very high89.3Confident28 Ų2845.3 Ų45.311%0.1123%0.226CC..EExtended strand (participates in β ladder)trans-127.7121.6-175.8-58.8-90.8000111.2E39 K40 L44 V49 C50 V52 V63E39-Y42 PolarHBondContact O-OH 3.46Å; K40-Y42 VanDerWaalsContact C-CE2 3.49Å; K40-Y42 VanDerWaalsContact O-CD2 3.27Å; K40-Y42 WeakPolarHBondContact O-CD2 3.44Å; K40-Y42 VanDerWaalsContact O-CE2 3.32Å; K40-Y42 WeakPolarHBondContact O-CE2 3.46Å; Y42-L44 PolarHBondContact O-N 2.99Å; Y42-V49 WeakPolarHBondContact O-CA 3.4Å; Y42-V49 WeakPolarHBondContact O-CG2 3.43Å; Y42-C50 PolarHBondContact N-O 2.91Å; Y42-C50 PolarHBondContact O-N 2.94Å; Y42-V52 HydrophobicContact CD2-CG1 4.25Å; Y42-V52 HydrophobicContact CD2-CG2 4.31Å; Y42-V52 HydrophobicContact CE2-CG1 4.37Å; Y42-V52 HydrophobicContact CE2-CG2 3.67Å; Y42-V63 HydrophobicContact CD1-CG1 3.96Å; Y42-V63 HydrophobicContact CD1-CG2 4.45Å; Y42-V63 HydrophobicContact CD2-CG2 3.96Å; Y42-V63 HydrophobicContact CG-CG1 3.96Å; Y42-V63 HydrophobicContact CG-CG2 3.93Å
43K96.2Very high90Very high93 Ų9342.6 Ų42.640%0.40421%0.211SC..EExtended strand (participates in β ladder)trans-67.7125.1165.7-168.9170.2-177.3171.60109.4N45 R67 I200K43-N45 WeakPolarHBondContact CE-O 3.37Å; K43-N45 WeakPolarHBondContact CG-O 3.44Å; K43-R67 PolarHBondContact O-NE 2.88Å; K43-R67 PolarHBondContact O-NH2 3.13Å; K43-I200 HydrophobicContact CG-CD1 4.49Å
44L97.4Very high90.7Very high6 Ų639.3 Ų39.33%0.03120%0.197CC..EExtended strand (participates in β ladder)trans-100.9-38.3-178.3-61.9-177.9000111.8Y42 I48 C50 V63 L66 R67 L86 Y112Y42-L44 PolarHBondContact O-N 2.99Å; L44-I48 HydrophobicContact CB-CB 4.3Å; L44-I48 HydrophobicContact CB-CG2 4.1Å; L44-I48 HydrophobicContact CD1-CG2 3.95Å; L44-I48 HydrophobicContact CG-CG2 4.48Å; L44-I48 PolarHBondContact N-O 3.49Å; L44-C50 HydrophobicContact CD1-CB 3.74Å; L44-C50 HydrophobicContact CG-CB 4.23Å; L44-V63 HydrophobicContact CD2-CB 4.49Å; L44-V63 HydrophobicContact CD2-CG1 3.94Å; L44-L66 HydrophobicContact CD1-CB 4.03Å; L44-L66 HydrophobicContact CD1-CD1 3.87Å; L44-L66 HydrophobicContact CD1-CD2 4.26Å; L44-L66 HydrophobicContact CD1-CG 4.29Å; L44-L66 HydrophobicContact CD2-CB 3.84Å; L44-L66 HydrophobicContact CD2-CD1 4.21Å; L44-L66 HydrophobicContact CG-CB 4.45Å; L44-R67 HydrophobicContact CD2-CG 4.27Å; L44-L86 HydrophobicContact CD1-CD2 4.36Å; L44-Y112 HydrophobicContact CD1-CD1 4.3Å
45N95.2Very high91.6Very high11 Ų1141.3 Ų41.36%0.05921%0.208CC..EExtended strand (participates in β ladder)trans-147.5-179.2174.4-16428.4000109.4K43 D47 I48 A70 Q71K43-N45 WeakPolarHBondContact CE-O 3.37Å; K43-N45 WeakPolarHBondContact CG-O 3.44Å; N45-D47 PolarHBondContact ND2-OD1 2.81Å; N45-D47 PolarHBondContact O-N 3.32Å; N45-I48 HydrophobicContact CB-CB 4.23Å; N45-I48 HydrophobicContact CB-CG1 4.45Å; N45-I48 PolarHBondContact N-O 3.15Å; N45-I48 VanDerWaalsContact N-O 3.1Å; N45-A70 HydrophobicContact CB-CB 4.19Å; N45-Q71 PolarHBondContact OD1-NE2 3.14Å
46E93Very high92.4Very high115 Ų11538.3 Ų38.354%0.53720%0.199SC..THydrogen-bonded Turntrans-55.4-33.6175.1-69.7-172171.800113.7K80 I200E46-K80 WeakPolarHBondContact OE2-CE 3.48Å; E46-K80 IonicContact OE2-NZ 3.73Å; E46-K80 PolarHBondContact OE2-NZ 3.34Å; E46-I200 WeakPolarHBondContact O-CD1 3.34Å
47D95.1Very high93.4Very high14 Ų1436.6 Ų36.68%0.07520%0.195CC..THydrogen-bonded Turntrans-117.97-171.956-11.1000113.8N45 K80 G114 M191 T198N45-D47 PolarHBondContact ND2-OD1 2.81Å; N45-D47 PolarHBondContact O-N 3.32Å; D47-K80 HydrophobicContact CB-CD 4.42Å; D47-K80 VanDerWaalsContact OD2-CB 3.31Å; D47-K80 WeakPolarHBondContact OD2-CB 3.33Å; D47-K80 WeakPolarHBondContact OD2-CD 3.34Å; D47-G114 WeakPolarHBondContact O-CA 3.5Å; D47-M191 WeakPolarHBondContact O-CE 3.18Å; D47-T198 HydrophobicContact CB-CG2 4.12Å
48I98.3Very high94.6Very high2 Ų230.4 Ų30.41%0.0117%0.165CC..EExtended strand (participates in β ladder)trans-134.6130.9-179.2-54.3172.4000110.6L44 N45 I81 V83 L86 V113L44-I48 HydrophobicContact CB-CB 4.3Å; L44-I48 HydrophobicContact CB-CG2 4.1Å; L44-I48 HydrophobicContact CD1-CG2 3.95Å; L44-I48 HydrophobicContact CG-CG2 4.48Å; L44-I48 PolarHBondContact N-O 3.49Å; N45-I48 HydrophobicContact CB-CB 4.23Å; N45-I48 HydrophobicContact CB-CG1 4.45Å; N45-I48 PolarHBondContact N-O 3.15Å; N45-I48 VanDerWaalsContact N-O 3.1Å; I48-I81 HydrophobicContact CD1-CG2 4.02Å; I48-V83 HydrophobicContact CD1-CB 4.19Å; I48-V83 HydrophobicContact CG1-CB 4.3Å; I48-V83 HydrophobicContact CG1-CG2 4.5Å; I48-V83 HydrophobicContact CG2-CG2 4.11Å; I48-L86 HydrophobicContact CD1-CB 4.41Å; I48-L86 HydrophobicContact CD1-CD2 3.63Å; I48-L86 HydrophobicContact CG2-CD2 4.21Å; I48-V113 WeakPolarHBondContact CA-O 3.25Å; I48-V113 WeakPolarHBondContact CG2-O 3.23Å
49V98.6Very high95.5Very high2 Ų228 Ų281%0.01215%0.153CC..EExtended strand (participates in β ladder)trans-130.4149.9173.363.10000109.6L21 I41 Y42 V113 M191 I200L21-V49 HydrophobicContact CD2-CG1 4.16Å; L21-V49 HydrophobicContact CD2-CG2 4.16Å; I41-V49 HydrophobicContact CG2-CG2 3.52Å; Y42-V49 WeakPolarHBondContact O-CA 3.4Å; Y42-V49 WeakPolarHBondContact O-CG2 3.43Å; V49-V113 HydrophobicContact CG1-CB 3.8Å; V49-V113 HydrophobicContact CG1-CG1 4.15Å; V49-V113 PolarHBondContact N-O 3.14Å; V49-V113 PolarHBondContact O-N 3.41Å; V49-M191 HydrophobicContact CG1-CE 4.11Å; V49-I200 HydrophobicContact CB-CD1 4.17Å; V49-I200 HydrophobicContact CB-CG2 4.07Å; V49-I200 HydrophobicContact CG1-CD1 4.46Å; V49-I200 HydrophobicContact CG1-CG2 4.21Å; V49-I200 HydrophobicContact CG2-CG2 4.29Å
50C98.5Very high96.1Very high0 Ų029.5 Ų29.50%016%0.162CC..EExtended strand (participates in β ladder)trans-131.6160.3174.174.10000112.7I41 Y42 L44 V110 L111 Y112I41-C50 CarbonylContact C-O 3.58Å; I41-C50 WeakPolarHBondContact CA-O 3.24Å; Y42-C50 PolarHBondContact N-O 2.91Å; Y42-C50 PolarHBondContact O-N 2.94Å; L44-C50 HydrophobicContact CD1-CB 3.74Å; L44-C50 HydrophobicContact CG-CB 4.23Å; C50-V110 HydrophobicContact CB-CG1 3.76Å; C50-L111 CarbonylContact C-O 3.52Å; C50-L111 WeakPolarHBondContact CA-O 3.34Å; C50-L111 WeakPolarHBondContact CB-O 3.48Å; C50-Y112 HydrophobicContact CB-CD1 4.12Å
51S98.3Very high96.3Very high0 Ų031.5 Ų31.50%018%0.176CC..EExtended strand (participates in β ladder)trans-123.2141.5167.2-170.50000109.8C10 K40 V110 L111C10-S51 WeakPolarHBondContact CB-OG 3.38Å; C10-S51 PolarHBondContact SG-OG 3.39Å; K40-S51 VanDerWaalsContact O-CA 3.27Å; K40-S51 WeakPolarHBondContact O-CA 3.44Å; S51-V110 WeakPolarHBondContact O-CA 3.44Å; S51-L111 PolarHBondContact N-O 3.46Å; S51-L111 PolarHBondContact O-N 2.85Å
52V97.7Very high96.4Very high8 Ų831.5 Ų31.55%0.04818%0.176CC..EExtended strand (participates in β ladder)trans-118.8139.8-174.3-54.50000112C10 K40 Y42 A59 V63 V108 V110C10-V52 PolarHBondContact SG-O 2.84Å; C10-V52 VanDerWaalsContact SG-O 3.36Å; K40-V52 PolarHBondContact O-N 3.46Å; K40-V52 VanDerWaalsContact O-N 3.1Å; Y42-V52 HydrophobicContact CD2-CG1 4.25Å; Y42-V52 HydrophobicContact CD2-CG2 4.31Å; Y42-V52 HydrophobicContact CE2-CG1 4.37Å; Y42-V52 HydrophobicContact CE2-CG2 3.67Å; V52-A59 HydrophobicContact CB-CB 3.94Å; V52-A59 HydrophobicContact CG1-CB 4.16Å; V52-A59 HydrophobicContact CG2-CB 3.75Å; V52-V63 HydrophobicContact CG1-CG2 4.23Å; V52-V108 HydrophobicContact CB-CG1 4.06Å; V52-V110 HydrophobicContact CG1-CG1 4.25Å; V52-V110 HydrophobicContact CG1-CG2 4.2Å
53A96.6Very high96.5Very high0 Ų030.3 Ų30.30%017%0.172CC..EExtended strand (participates in β ladder)trans-130.2125.7169.700000109.6I4 A7 V108 S109 I140I4-A53 HydrophobicContact CG2-CB 4.09Å; A7-A53 HydrophobicContact CB-CB 4.05Å; A53-V108 WeakPolarHBondContact O-CA 3.48Å; A53-S109 PolarHBondContact N-O 2.84Å; A53-S109 PolarHBondContact O-N 2.86Å; A53-I140 HydrophobicContact CB-CB 4.48Å; A53-I140 HydrophobicContact CB-CD1 3.77Å; A53-I140 HydrophobicContact CB-CG1 3.86Å
54G95.5Very high96.5Very high16 Ų1630.9 Ų30.917%0.16518%0.177CC..EExtended strand (participates in β ladder)trans139.6-148.5-178.700000112.6T56 G107G54-T56 PolarHBondContact O-N 3.18Å; G54-G107 VanDerWaalsContact CA-O 3.22Å; G54-G107 WeakPolarHBondContact CA-O 3.46Å
55I95Very high96.6Very high72 Ų7231.6 Ų31.637%0.36918%0.18SC..  trans-72.5113.9179.4-59.4172.2000109.8A3 A57 D58 A59 G107 V108A3-I55 HydrophobicContact CB-CD1 4.3Å; A3-I55 HydrophobicContact CB-CG1 3.85Å; I55-A57 VanDerWaalsContact C-N 3.29Å; I55-A57 HydrophobicContact CG2-CB 4.24Å; I55-A57 PolarHBondContact O-N 3.27Å; I55-D58 HydrophobicContact CB-CB 4.1Å; I55-D58 HydrophobicContact CG2-CB 4.27Å; I55-D58 WeakPolarHBondContact O-CB 3.14Å; I55-D58 PolarHBondContact O-N 3.1Å; I55-D58 VanDerWaalsContact O-N 3.08Å; I55-A59 PolarHBondContact O-N 3.45Å; I55-G107 PolarHBondContact N-O 2.86Å; I55-V108 WeakPolarHBondContact O-CG2 3.2Å
56T92.8Very high96.8Very high85 Ų8531.1 Ų31.152%0.52118%0.178SC..Hα-helixtrans-57.2-38.2-177.3-47.90000113.3G54 D58 A59 N60G54-T56 PolarHBondContact O-N 3.18Å; T56-D58 PolarHBondContact O-N 2.92Å; T56-A59 WeakPolarHBondContact O-CB 3.45Å; T56-A59 PolarHBondContact O-N 3.15Å; T56-N60 VanDerWaalsContact O-CG 3.3Å; T56-N60 PolarHBondContact O-N 3.14Å
57A94Very high97Very high63 Ų6330.6 Ų30.652%0.52117%0.171SC..Hα-helixtrans-62.7-42.3177.300000112.3I55 A59 V61I55-A57 VanDerWaalsContact C-N 3.29Å; I55-A57 HydrophobicContact CG2-CB 4.24Å; I55-A57 PolarHBondContact O-N 3.27Å; A57-A59 VanDerWaalsContact C-N 3.32Å; A57-V61 PolarHBondContact O-N 3.28Å
58D96.4Very high97.2Very high6 Ų633.9 Ų33.93%0.03219%0.186CC..Hα-helixtrans-66.4-38.5174.7-77.47.3000110.5I55 T56 V61 L62 R104 Y106 G107 V108I55-D58 HydrophobicContact CB-CB 4.1Å; I55-D58 HydrophobicContact CG2-CB 4.27Å; I55-D58 WeakPolarHBondContact O-CB 3.14Å; I55-D58 PolarHBondContact O-N 3.1Å; I55-D58 VanDerWaalsContact O-N 3.08Å; T56-D58 PolarHBondContact O-N 2.92Å; D58-V61 PolarHBondContact O-N 3.22Å; D58-L62 WeakPolarHBondContact O-CG 3.41Å; D58-L62 PolarHBondContact O-N 2.89Å; D58-L62 VanDerWaalsContact O-N 3.15Å; D58-R104 VanDerWaalsContact CG-NH1 3.29Å; D58-R104 IonicContact OD1-CZ 3.07Å; D58-R104 IonicContact OD1-NH1 3.97Å; D58-R104 PolarHBondContact OD1-NH1 3.29Å; D58-R104 IonicContact OD1-NH2 3.82Å; D58-R104 PolarHBondContact OD1-NH2 2.93Å; D58-R104 IonicContact OD2-CZ 3.38Å; D58-R104 IonicContact OD2-NH1 3.01Å; D58-R104 PolarHBondContact OD2-NH1 2.86Å; D58-R104 IonicContact OD2-NH2 2.79Å; D58-Y106 HydrophobicContact CB-CD1 3.93Å; D58-Y106 WeakPolarHBondContact OD2-CA 3.39Å; D58-G107 PolarHBondContact OD2-N 3.22Å; D58-V108 HydrophobicContact CB-CG2 3.51Å
59A96.7Very high97.2Very high1 Ų136.6 Ų36.61%0.00820%0.196CC..Hα-helixtrans-63.6-43.6179.300000111.5V52 I55 T56 A57 V61 L62 V63 V108V52-A59 HydrophobicContact CB-CB 3.94Å; V52-A59 HydrophobicContact CG1-CB 4.16Å; V52-A59 HydrophobicContact CG2-CB 3.75Å; I55-A59 PolarHBondContact O-N 3.45Å; T56-A59 WeakPolarHBondContact O-CB 3.45Å; T56-A59 PolarHBondContact O-N 3.15Å; A57-A59 VanDerWaalsContact C-N 3.32Å; A59-V61 VanDerWaalsContact C-N 3.29Å; A59-V61 PolarHBondContact O-N 3.03Å; A59-L62 PolarHBondContact O-N 3.33Å; A59-L62 VanDerWaalsContact O-N 3.14Å; A59-V63 WeakPolarHBondContact O-CB 3.43Å; A59-V63 WeakPolarHBondContact O-CG2 3.46Å; A59-V63 PolarHBondContact O-N 3.29Å; A59-V108 HydrophobicContact CB-CG1 3.98Å; A59-V108 HydrophobicContact CB-CG2 4.03Å
60N96Very high97.2Very high79 Ų7936.5 Ų36.542%0.42220%0.196SC..Hα-helixtrans-58.9-40.2177.4-72.5-18.3000112.3T56 M64T56-N60 VanDerWaalsContact O-CG 3.3Å; T56-N60 PolarHBondContact O-N 3.14Å; N60-M64 WeakPolarHBondContact O-CB 3.2Å; N60-M64 PolarHBondContact O-N 3.3Å
61V97.6Very high97.2Very high59 Ų5941 Ų4136%0.35822%0.217SC..Hα-helixtrans-63.3-46.4175.8174.30000110.8A57 D58 A59 M64 L65 Y106A57-V61 PolarHBondContact O-N 3.28Å; D58-V61 PolarHBondContact O-N 3.22Å; A59-V61 VanDerWaalsContact C-N 3.29Å; A59-V61 PolarHBondContact O-N 3.03Å; V61-M64 PolarHBondContact O-N 2.85Å; V61-L65 WeakPolarHBondContact O-CB 3.21Å; V61-L65 PolarHBondContact O-N 2.78Å; V61-Y106 HydrophobicContact CB-CE1 4.28Å; V61-Y106 HydrophobicContact CG1-CE1 3.96Å
62L98.5Very high97.2Very high2 Ų246.9 Ų46.91%0.0124%0.243CC..Hα-helixtrans-67.4-41.4179.6-64.2179.7000112.3D58 A59 M64 L65 L66 V90 Y93 K94 Y106 V108D58-L62 WeakPolarHBondContact O-CG 3.41Å; D58-L62 PolarHBondContact O-N 2.89Å; D58-L62 VanDerWaalsContact O-N 3.15Å; A59-L62 PolarHBondContact O-N 3.33Å; A59-L62 VanDerWaalsContact O-N 3.14Å; L62-M64 VanDerWaalsContact C-N 3.35Å; L62-M64 PolarHBondContact O-N 3.08Å; L62-L65 WeakPolarHBondContact O-CB 3.31Å; L62-L65 PolarHBondContact O-N 3.38Å; L62-L66 WeakPolarHBondContact O-CB 3.48Å; L62-L66 WeakPolarHBondContact O-CD1 3.37Å; L62-L66 VanDerWaalsContact O-CG 3.26Å; L62-L66 WeakPolarHBondContact O-CG 3.11Å; L62-L66 PolarHBondContact O-N 2.92Å; L62-V90 HydrophobicContact CB-CG2 4.41Å; L62-V90 HydrophobicContact CD2-CG2 3.95Å; L62-Y93 HydrophobicContact CD2-CD1 4.16Å; L62-Y93 HydrophobicContact CD2-CE1 4.38Å; L62-K94 HydrophobicContact CD1-CD 4.04Å; L62-K94 HydrophobicContact CD1-CG 4.2Å; L62-K94 HydrophobicContact CD2-CG 4.03Å; L62-Y106 HydrophobicContact CD1-CD1 4.13Å; L62-Y106 HydrophobicContact CD1-CG 4.12Å; L62-Y106 HydrophobicContact CD2-CD1 3.86Å; L62-Y106 HydrophobicContact CD2-CD2 4.19Å; L62-Y106 HydrophobicContact CD2-CE1 4.02Å; L62-Y106 HydrophobicContact CD2-CE2 4.33Å; L62-Y106 HydrophobicContact CD2-CG 3.98Å; L62-Y106 HydrophobicContact CG-CD1 3.86Å; L62-Y106 HydrophobicContact CG-CE1 4.29Å; L62-Y106 HydrophobicContact CG-CG 4.21Å; L62-V108 HydrophobicContact CD1-CB 4.27Å
63V98.3Very high97.3Very high3 Ų348.1 Ų48.12%0.01825%0.247CC..Hα-helixtrans-62-42.7176.2168.20000111Y42 L44 V52 A59 L65 L66 R67Y42-V63 HydrophobicContact CD1-CG1 3.96Å; Y42-V63 HydrophobicContact CD1-CG2 4.45Å; Y42-V63 HydrophobicContact CD2-CG2 3.96Å; Y42-V63 HydrophobicContact CG-CG1 3.96Å; Y42-V63 HydrophobicContact CG-CG2 3.93Å; L44-V63 HydrophobicContact CD2-CB 4.49Å; L44-V63 HydrophobicContact CD2-CG1 3.94Å; V52-V63 HydrophobicContact CG1-CG2 4.23Å; A59-V63 WeakPolarHBondContact O-CB 3.43Å; A59-V63 WeakPolarHBondContact O-CG2 3.46Å; A59-V63 PolarHBondContact O-N 3.29Å; V63-L65 VanDerWaalsContact C-N 3.34Å; V63-L66 PolarHBondContact O-N 2.65Å; V63-R67 WeakPolarHBondContact O-CG 3.48Å; V63-R67 PolarHBondContact O-N 3.46Å
64M98.1Very high97.3Very high104 Ų10451 Ų5151%0.51226%0.262SS..Hα-helixtrans-62.3-43.8174.3-176.8-177.367.600111.2N60 V61 L62 R67 Q68N60-M64 WeakPolarHBondContact O-CB 3.2Å; N60-M64 PolarHBondContact O-N 3.3Å; V61-M64 PolarHBondContact O-N 2.85Å; L62-M64 VanDerWaalsContact C-N 3.35Å; L62-M64 PolarHBondContact O-N 3.08Å; M64-R67 PolarHBondContact O-N 3.41Å; M64-Q68 WeakPolarHBondContact O-CG 3.35Å; M64-Q68 PolarHBondContact O-N 3.37Å
65L98.5Very high97.4Very high21 Ų2157.6 Ų57.611%0.1129%0.293CS..Hα-helixtrans-62.9-44.5178.3-172.564.6000111.9V61 L62 V63 R67 Q68 Y69 Y93V61-L65 WeakPolarHBondContact O-CB 3.21Å; V61-L65 PolarHBondContact O-N 2.78Å; L62-L65 WeakPolarHBondContact O-CB 3.31Å; L62-L65 PolarHBondContact O-N 3.38Å; V63-L65 VanDerWaalsContact C-N 3.34Å; L65-R67 PolarHBondContact O-N 2.88Å; L65-Q68 WeakPolarHBondContact O-CB 3.44Å; L65-Q68 PolarHBondContact O-N 2.94Å; L65-Y69 HydrophobicContact CD1-CD1 4.2Å; L65-Y69 HydrophobicContact CD1-CE1 3.53Å; L65-Y69 HydrophobicContact CD1-CE2 4.03Å; L65-Y69 VanDerWaalsContact CD1-CZ 3.45Å; L65-Y69 HydrophobicContact CD2-CE2 3.82Å; L65-Y69 HydrophobicContact CG-CD2 4.09Å; L65-Y69 HydrophobicContact CG-CE1 4.03Å; L65-Y69 HydrophobicContact CG-CE2 3.57Å; L65-Y69 PolarHBondContact O-N 2.81Å; L65-Y93 HydrophobicContact CD2-CD1 3.3Å; L65-Y93 HydrophobicContact CD2-CD2 3.97Å; L65-Y93 HydrophobicContact CD2-CE1 3.6Å; L65-Y93 HydrophobicContact CD2-CE2 4.25Å; L65-Y93 HydrophobicContact CD2-CG 3.49Å; L65-Y93 VanDerWaalsContact CD2-CG 3.49Å
66L98.8Very high97.6Very high1 Ų160.5 Ų60.51%0.00531%0.305CS..Hα-helixtrans-57.3-48.5174.9-78159.2000111.7L44 L62 V63 Q68 Y69 A70 L86 V90 Y112L44-L66 HydrophobicContact CD1-CB 4.03Å; L44-L66 HydrophobicContact CD1-CD1 3.87Å; L44-L66 HydrophobicContact CD1-CD2 4.26Å; L44-L66 HydrophobicContact CD1-CG 4.29Å; L44-L66 HydrophobicContact CD2-CB 3.84Å; L44-L66 HydrophobicContact CD2-CD1 4.21Å; L44-L66 HydrophobicContact CG-CB 4.45Å; L62-L66 WeakPolarHBondContact O-CB 3.48Å; L62-L66 WeakPolarHBondContact O-CD1 3.37Å; L62-L66 VanDerWaalsContact O-CG 3.26Å; L62-L66 WeakPolarHBondContact O-CG 3.11Å; L62-L66 PolarHBondContact O-N 2.92Å; V63-L66 PolarHBondContact O-N 2.65Å; L66-Q68 VanDerWaalsContact C-N 3.32Å; L66-Q68 PolarHBondContact O-N 3.48Å; L66-Y69 PolarHBondContact O-N 3.07Å; L66-A70 PolarHBondContact O-N 2.96Å; L66-L86 HydrophobicContact CD2-CD1 3.92Å; L66-L86 HydrophobicContact CD2-CD2 4.04Å; L66-L86 HydrophobicContact CD2-CG 3.61Å; L66-L86 WeakPolarHBondContact O-CD1 3.42Å; L66-V90 HydrophobicContact CD1-CG2 4.37Å; L66-V90 HydrophobicContact CD2-CB 3.7Å; L66-V90 HydrophobicContact CD2-CG1 3.65Å; L66-V90 HydrophobicContact CD2-CG2 4.21Å; L66-V90 HydrophobicContact CG-CB 4.06Å; L66-V90 HydrophobicContact CG-CG1 4.28Å; L66-V90 HydrophobicContact CG-CG2 4.01Å; L66-Y112 HydrophobicContact CD1-CE1 3.8Å; L66-Y112 HydrophobicContact CD2-CE1 4.04Å
67R98.6Very high97.8Very high104 Ų10462.8 Ų62.839%0.39231%0.305SS..Hα-helixtrans-59.3-43.9175.3-73.7169.9174.9160.3-0.8111.4K43 L44 V63 M64 L65 A70 Q71K43-R67 PolarHBondContact O-NE 2.88Å; K43-R67 PolarHBondContact O-NH2 3.13Å; L44-R67 HydrophobicContact CD2-CG 4.27Å; V63-R67 WeakPolarHBondContact O-CG 3.48Å; V63-R67 PolarHBondContact O-N 3.46Å; M64-R67 PolarHBondContact O-N 3.41Å; L65-R67 PolarHBondContact O-N 2.88Å; R67-A70 PolarHBondContact O-N 3.21Å; R67-Q71 VanDerWaalsContact O-CG 3.3Å; R67-Q71 WeakPolarHBondContact O-CG 3.32Å; R67-Q71 PolarHBondContact O-N 3.32Å
68Q98.7Very high97.9Very high83 Ų8362.7 Ų62.739%0.38831%0.31SS..Hα-helixtrans-63.7-42.6177.6-73.6179.813.700112.5M64 L65 L66 Q71 K72M64-Q68 WeakPolarHBondContact O-CG 3.35Å; M64-Q68 PolarHBondContact O-N 3.37Å; L65-Q68 WeakPolarHBondContact O-CB 3.44Å; L65-Q68 PolarHBondContact O-N 2.94Å; L66-Q68 VanDerWaalsContact C-N 3.32Å; L66-Q68 PolarHBondContact O-N 3.48Å; Q68-Q71 PolarHBondContact O-N 3.18Å; Q68-K72 WeakPolarHBondContact O-CB 3.27Å; Q68-K72 VanDerWaalsContact O-CG 3.24Å; Q68-K72 WeakPolarHBondContact O-CG 3.32Å; Q68-K72 PolarHBondContact O-N 3.1Å
69Y98.7Very high97.9Very high59 Ų5969 Ų6923%0.23134%0.339CS..Hα-helixtrans-63.3-45.6177.3-70.1-16.1000111.8L65 L66 Q71 K72 F73L65-Y69 HydrophobicContact CD1-CD1 4.2Å; L65-Y69 HydrophobicContact CD1-CE1 3.53Å; L65-Y69 HydrophobicContact CD1-CE2 4.03Å; L65-Y69 VanDerWaalsContact CD1-CZ 3.45Å; L65-Y69 HydrophobicContact CD2-CE2 3.82Å; L65-Y69 HydrophobicContact CG-CD2 4.09Å; L65-Y69 HydrophobicContact CG-CE1 4.03Å; L65-Y69 HydrophobicContact CG-CE2 3.57Å; L65-Y69 PolarHBondContact O-N 2.81Å; L66-Y69 PolarHBondContact O-N 3.07Å; Y69-Q71 PolarHBondContact O-N 2.91Å; Y69-K72 PolarHBondContact O-N 2.83Å; Y69-F73 WeakPolarHBondContact O-CB 3.46Å; Y69-F73 PolarHBondContact O-N 2.77Å
70A98.5Very high97.8Very high0 Ų073 Ų730%036%0.357CS..Hα-helixtrans-59.8-45.4176.800000112.2N45 L66 R67 F73 L74 I81 L86N45-A70 HydrophobicContact CB-CB 4.19Å; L66-A70 PolarHBondContact O-N 2.96Å; R67-A70 PolarHBondContact O-N 3.21Å; A70-F73 PolarHBondContact O-N 2.91Å; A70-L74 PolarHBondContact O-N 3.17Å; A70-I81 HydrophobicContact CB-CG2 3.89Å; A70-L86 HydrophobicContact CB-CD1 4.31Å; A70-L86 HydrophobicContact CB-CD2 4.33Å
71Q98.4Very high97.8Very high96 Ų9669.6 Ų69.645%0.44934%0.338SS..Hα-helixtrans-72-34.6-179.7-65.2-56.7-5300113N45 R67 Q68 Y69 L74 L75N45-Q71 PolarHBondContact OD1-NE2 3.14Å; R67-Q71 VanDerWaalsContact O-CG 3.3Å; R67-Q71 WeakPolarHBondContact O-CG 3.32Å; R67-Q71 PolarHBondContact O-N 3.32Å; Q68-Q71 PolarHBondContact O-N 3.18Å; Y69-Q71 PolarHBondContact O-N 2.91Å; Q71-L74 PolarHBondContact O-N 3.38Å; Q71-L75 WeakPolarHBondContact O-CB 3.48Å; Q71-L75 PolarHBondContact O-N 3.46Å
72K98.5Very high97.8Very high123 Ų12368.5 Ų68.554%0.53534%0.336SS..Hα-helixtrans-64-42.5172.9-78.3174.8179.8176.70111.4Q68 Y69 L75 Q76Q68-K72 WeakPolarHBondContact O-CB 3.27Å; Q68-K72 VanDerWaalsContact O-CG 3.24Å; Q68-K72 WeakPolarHBondContact O-CG 3.32Å; Q68-K72 PolarHBondContact O-N 3.1Å; Y69-K72 PolarHBondContact O-N 2.83Å; K72-L75 PolarHBondContact O-N 3.08Å; K72-Q76 VanDerWaalsContact O-CB 3.29Å; K72-Q76 WeakPolarHBondContact O-CB 3.45Å; K72-Q76 PolarHBondContact O-N 2.79Å
73F98.4Very high97.8Very high33 Ų3368.6 Ų68.615%0.14534%0.336CS..Hα-helixtrans-61-47.5176-169.6-80.8000110.9Y69 A70 L75 Q76 Y77 E79 I81 Q85Y69-F73 WeakPolarHBondContact O-CB 3.46Å; Y69-F73 PolarHBondContact O-N 2.77Å; A70-F73 PolarHBondContact O-N 2.91Å; F73-L75 VanDerWaalsContact C-N 3.34Å; F73-L75 PolarHBondContact O-N 3.4Å; F73-Q76 PolarHBondContact O-N 3.01Å; F73-Y77 AromaticContact CD1-CD2 3.84Å; F73-Y77 HydrophobicContact CD1-CD2 3.84Å; F73-Y77 AromaticContact CD2-CD2 3.53Å; F73-Y77 HydrophobicContact CD2-CD2 3.53Å; F73-Y77 AromaticContact CD2-CE2 3.59Å; F73-Y77 HydrophobicContact CD2-CE2 3.59Å; F73-Y77 AromaticContact CE1-CD2 3.8Å; F73-Y77 HydrophobicContact CE1-CD2 3.8Å; F73-Y77 HydrophobicContact CE1-CG 4.29Å; F73-Y77 AromaticContact CE2-CD2 3.49Å; F73-Y77 HydrophobicContact CE2-CD2 3.49Å; F73-Y77 VanDerWaalsContact CE2-CD2 3.49Å; F73-Y77 AromaticContact CE2-CE2 3.55Å; F73-Y77 HydrophobicContact CE2-CE2 3.55Å; F73-Y77 HydrophobicContact CE2-CG 4.45Å; F73-Y77 AromaticContact CG-CD2 3.7Å; F73-Y77 HydrophobicContact CG-CD2 3.7Å; F73-Y77 HydrophobicContact CG-CE2 4.19Å; F73-Y77 AromaticContact CZ-CD2 3.63Å; F73-Y77 HydrophobicContact CZ-CD2 3.63Å; F73-Y77 HydrophobicContact CZ-CE2 4.12Å; F73-Y77 HydrophobicContact CZ-CG 4.21Å; F73-Y77 WeakPolarHBondContact O-CD2 3.44Å; F73-Y77 PolarHBondContact O-N 2.91Å; F73-E79 WeakPolarHBondContact CD1-O 3.16Å; F73-I81 HydrophobicContact CB-CB 3.97Å; F73-I81 HydrophobicContact CB-CD1 4.08Å; F73-I81 HydrophobicContact CB-CG1 4.34Å; F73-I81 HydrophobicContact CD1-CB 3.69Å; F73-I81 HydrophobicContact CD1-CG1 4.2Å; F73-I81 HydrophobicContact CD2-CB 4.21Å; F73-I81 HydrophobicContact CD2-CD1 3.8Å; F73-I81 HydrophobicContact CD2-CG1 3.85Å; F73-I81 HydrophobicContact CE1-CB 4.23Å; F73-I81 HydrophobicContact CE2-CD1 4.47Å; F73-I81 HydrophobicContact CE2-CG1 4.18Å; F73-I81 HydrophobicContact CG-CB 3.68Å; F73-I81 HydrophobicContact CG-CD1 3.98Å; F73-I81 HydrophobicContact CG-CG1 3.86Å; F73-I81 HydrophobicContact CZ-CG1 4.5Å; F73-Q85 VanDerWaalsContact CE2-OE1 3.31Å
74L97.3Very high97.8Very high60 Ų6071.7 Ų71.731%0.31435%0.35SS..Hα-helixtrans-58.8-43.1176.4-177.862.8000112.5A70 Q71 G78 E79A70-L74 PolarHBondContact O-N 3.17Å; Q71-L74 PolarHBondContact O-N 3.38Å; L74-G78 WeakPolarHBondContact O-CA 3.35Å; L74-G78 PolarHBondContact O-N 3.47Å; L74-E79 WeakPolarHBondContact CA-O 3.5Å; L74-E79 WeakPolarHBondContact CD1-O 3.43Å
75L98.1Very high97.7Very high156 Ų15670.6 Ų70.682%0.81734%0.344SS*.Hα-helixtrans-65.6-39.1177179.563000112.5Q71 K72 F73Q71-L75 WeakPolarHBondContact O-CB 3.48Å; Q71-L75 PolarHBondContact O-N 3.46Å; K72-L75 PolarHBondContact O-N 3.08Å; F73-L75 VanDerWaalsContact C-N 3.34Å; F73-L75 PolarHBondContact O-N 3.4Å
76Q98.4Very high97.7Very high133 Ų13369.6 Ų69.662%0.62134%0.339SS*.Hα-helixtrans-78.7-39-174.5-178.7170.2-14.200112.8K72 F73K72-Q76 VanDerWaalsContact O-CB 3.29Å; K72-Q76 WeakPolarHBondContact O-CB 3.45Å; K72-Q76 PolarHBondContact O-N 2.79Å; F73-Q76 PolarHBondContact O-N 3.01Å
77Y97.6Very high97.7Very high132 Ų13269.6 Ų69.652%0.51834%0.339SS..Hα-helixtrans-111.2-13-172.5-58.4-70.3000113.7F73 E79F73-Y77 AromaticContact CD1-CD2 3.84Å; F73-Y77 HydrophobicContact CD1-CD2 3.84Å; F73-Y77 AromaticContact CD2-CD2 3.53Å; F73-Y77 HydrophobicContact CD2-CD2 3.53Å; F73-Y77 AromaticContact CD2-CE2 3.59Å; F73-Y77 HydrophobicContact CD2-CE2 3.59Å; F73-Y77 AromaticContact CE1-CD2 3.8Å; F73-Y77 HydrophobicContact CE1-CD2 3.8Å; F73-Y77 HydrophobicContact CE1-CG 4.29Å; F73-Y77 AromaticContact CE2-CD2 3.49Å; F73-Y77 HydrophobicContact CE2-CD2 3.49Å; F73-Y77 VanDerWaalsContact CE2-CD2 3.49Å; F73-Y77 AromaticContact CE2-CE2 3.55Å; F73-Y77 HydrophobicContact CE2-CE2 3.55Å; F73-Y77 HydrophobicContact CE2-CG 4.45Å; F73-Y77 AromaticContact CG-CD2 3.7Å; F73-Y77 HydrophobicContact CG-CD2 3.7Å; F73-Y77 HydrophobicContact CG-CE2 4.19Å; F73-Y77 AromaticContact CZ-CD2 3.63Å; F73-Y77 HydrophobicContact CZ-CD2 3.63Å; F73-Y77 HydrophobicContact CZ-CE2 4.12Å; F73-Y77 HydrophobicContact CZ-CG 4.21Å; F73-Y77 WeakPolarHBondContact O-CD2 3.44Å; F73-Y77 PolarHBondContact O-N 2.91Å; Y77-E79 PolarHBondContact O-N 2.77Å
78G96.6Very high97.7Very high61 Ų6168.7 Ų68.763%0.62934%0.339SS*.SBendtrans72.89.3-176.200000114.1L74L74-G78 WeakPolarHBondContact O-CA 3.35Å; L74-G78 PolarHBondContact O-N 3.47Å
79E94.9Very high97.7Very high138 Ų13866.7 Ų66.765%0.64533%0.334SS*.SBendtrans-129.2157.4-176-65.3-175.115700111.2F73 L74 Y77F73-E79 WeakPolarHBondContact CD1-O 3.16Å; L74-E79 WeakPolarHBondContact CA-O 3.5Å; L74-E79 WeakPolarHBondContact CD1-O 3.43Å; Y77-E79 PolarHBondContact O-N 2.77Å
80K94.6Very high97.7Very high87 Ų8763.9 Ų63.938%0.37832%0.323SS..PPolyproline II helixtrans-74139.3175.7-60.5179.4-175.3-179.90109.5E46 D47E46-K80 WeakPolarHBondContact OE2-CE 3.48Å; E46-K80 IonicContact OE2-NZ 3.73Å; E46-K80 PolarHBondContact OE2-NZ 3.34Å; D47-K80 HydrophobicContact CB-CD 4.42Å; D47-K80 VanDerWaalsContact OD2-CB 3.31Å; D47-K80 WeakPolarHBondContact OD2-CB 3.33Å; D47-K80 WeakPolarHBondContact OD2-CD 3.34Å
81I97.1Very high97.7Very high6 Ų663.9 Ų63.93%0.03132%0.323CS..PPolyproline II helixtrans-69137177.6-167.4168.6000110.3I48 A70 F73 Q85 L86I48-I81 HydrophobicContact CD1-CG2 4.02Å; A70-I81 HydrophobicContact CB-CG2 3.89Å; F73-I81 HydrophobicContact CB-CB 3.97Å; F73-I81 HydrophobicContact CB-CD1 4.08Å; F73-I81 HydrophobicContact CB-CG1 4.34Å; F73-I81 HydrophobicContact CD1-CB 3.69Å; F73-I81 HydrophobicContact CD1-CG1 4.2Å; F73-I81 HydrophobicContact CD2-CB 4.21Å; F73-I81 HydrophobicContact CD2-CD1 3.8Å; F73-I81 HydrophobicContact CD2-CG1 3.85Å; F73-I81 HydrophobicContact CE1-CB 4.23Å; F73-I81 HydrophobicContact CE2-CD1 4.47Å; F73-I81 HydrophobicContact CE2-CG1 4.18Å; F73-I81 HydrophobicContact CG-CB 3.68Å; F73-I81 HydrophobicContact CG-CD1 3.98Å; F73-I81 HydrophobicContact CG-CG1 3.86Å; F73-I81 HydrophobicContact CZ-CG1 4.5Å; I81-Q85 HydrophobicContact CD1-CB 4.3Å; I81-Q85 HydrophobicContact CD1-CG 4.15Å; I81-Q85 HydrophobicContact CG1-CB 4.02Å; I81-Q85 HydrophobicContact CG1-CG 4.21Å; I81-L86 HydrophobicContact CD1-CB 3.98Å; I81-L86 HydrophobicContact CD1-CD1 4.18Å; I81-L86 HydrophobicContact CG1-CB 4.29Å; I81-L86 HydrophobicContact CG2-CB 4.01Å; I81-L86 HydrophobicContact CG2-CD1 4.37Å; I81-L86 HydrophobicContact CG2-CD2 4.27Å; I81-L86 HydrophobicContact CG2-CG 4.43Å
82A97Very high97.7Very high36 Ų3664 Ų6430%0.29833%0.327SS..PPolyproline II helixtrans-63.7142.7170.600000110.2E84 Q85 L86A82-E84 VanDerWaalsContact C-N 3.27Å; A82-E84 PolarHBondContact O-N 2.69Å; A82-Q85 HydrophobicContact CB-CB 4.45Å; A82-Q85 PolarHBondContact O-N 2.96Å; A82-Q85 VanDerWaalsContact O-N 3.13Å; A82-L86 PolarHBondContact O-N 3.41Å; A82-L86 VanDerWaalsContact O-N 3.09Å
83V98.2Very high97.7Very high4 Ų461.4 Ų61.42%0.02431%0.314CS..Hα-helixtrans-60-38.8-174.961.40000112.2I48 Q85 L86 V87 Q122 Y124I48-V83 HydrophobicContact CD1-CB 4.19Å; I48-V83 HydrophobicContact CG1-CB 4.3Å; I48-V83 HydrophobicContact CG1-CG2 4.5Å; I48-V83 HydrophobicContact CG2-CG2 4.11Å; V83-Q85 PolarHBondContact O-N 2.84Å; V83-L86 PolarHBondContact O-N 3.44Å; V83-V87 HydrophobicContact CG2-CG2 4.35Å; V83-V87 WeakPolarHBondContact O-CG2 3.47Å; V83-V87 PolarHBondContact O-N 2.66Å; V83-Q122 HydrophobicContact CG1-CB 3.93Å; V83-Q122 HydrophobicContact CG1-CG 4.48Å; V83-Y124 HydrophobicContact CG1-CD2 4.14Å; V83-Y124 HydrophobicContact CG1-CE2 3.81Å; V83-Y124 HydrophobicContact CG2-CD2 4.33Å
84E98Very high97.7Very high68 Ų6859.8 Ų59.832%0.31831%0.307SS..Hα-helixtrans-61.6-44.7177.2-174.5165-156.400112.2A82 L86 V87 E88 Y124 Y132A82-E84 VanDerWaalsContact C-N 3.27Å; A82-E84 PolarHBondContact O-N 2.69Å; E84-L86 VanDerWaalsContact C-N 3.29Å; E84-L86 PolarHBondContact O-N 2.85Å; E84-V87 CarbonylContact O-C 3.6Å; E84-V87 WeakPolarHBondContact O-CB 3.25Å; E84-V87 PolarHBondContact O-N 2.92Å; E84-V87 VanDerWaalsContact O-N 3.13Å; E84-E88 WeakPolarHBondContact O-CB 2.9Å; E84-E88 PolarHBondContact O-N 3.33Å; E84-Y124 HydrophobicContact CB-CE1 4.25Å; E84-Y124 HydrophobicContact CB-CE2 4.11Å; E84-Y124 WeakPolarHBondContact CB-OH 3.48Å; E84-Y124 VanDerWaalsContact CD-OH 3.31Å; E84-Y124 HydrophobicContact CG-CE1 3.96Å; E84-Y124 PolarHBondContact OE2-OH 2.87Å; E84-Y124 VanDerWaalsContact OE2-OH 3.1Å; E84-Y132 HydrophobicContact CG-CE2 4.35Å
85Q97.8Very high97.7Very high81 Ų8160.1 Ų60.138%0.37931%0.307SS..Hα-helixtrans-65.6-35.2179.9-170.5176.51600111.9F73 I81 A82 V83 S89F73-Q85 VanDerWaalsContact CE2-OE1 3.31Å; I81-Q85 HydrophobicContact CD1-CB 4.3Å; I81-Q85 HydrophobicContact CD1-CG 4.15Å; I81-Q85 HydrophobicContact CG1-CB 4.02Å; I81-Q85 HydrophobicContact CG1-CG 4.21Å; A82-Q85 HydrophobicContact CB-CB 4.45Å; A82-Q85 PolarHBondContact O-N 2.96Å; A82-Q85 VanDerWaalsContact O-N 3.13Å; V83-Q85 PolarHBondContact O-N 2.84Å; Q85-S89 WeakPolarHBondContact O-CB 3.13Å; Q85-S89 PolarHBondContact O-N 2.88Å; Q85-S89 VanDerWaalsContact O-N 3.08Å; Q85-S89 PolarHBondContact O-OG 3.18Å
86L98.6Very high97.6Very high1 Ų154 Ų541%0.00528%0.279CS..Hα-helixtrans-67.3-41.3173.4-175.562.7000111.5L44 I48 L66 A70 I81 A82 V83 E84 S89 V90L44-L86 HydrophobicContact CD1-CD2 4.36Å; I48-L86 HydrophobicContact CD1-CB 4.41Å; I48-L86 HydrophobicContact CD1-CD2 3.63Å; I48-L86 HydrophobicContact CG2-CD2 4.21Å; L66-L86 HydrophobicContact CD2-CD1 3.92Å; L66-L86 HydrophobicContact CD2-CD2 4.04Å; L66-L86 HydrophobicContact CD2-CG 3.61Å; L66-L86 WeakPolarHBondContact O-CD1 3.42Å; A70-L86 HydrophobicContact CB-CD1 4.31Å; A70-L86 HydrophobicContact CB-CD2 4.33Å; I81-L86 HydrophobicContact CD1-CB 3.98Å; I81-L86 HydrophobicContact CD1-CD1 4.18Å; I81-L86 HydrophobicContact CG1-CB 4.29Å; I81-L86 HydrophobicContact CG2-CB 4.01Å; I81-L86 HydrophobicContact CG2-CD1 4.37Å; I81-L86 HydrophobicContact CG2-CD2 4.27Å; I81-L86 HydrophobicContact CG2-CG 4.43Å; A82-L86 PolarHBondContact O-N 3.41Å; A82-L86 VanDerWaalsContact O-N 3.09Å; V83-L86 PolarHBondContact O-N 3.44Å; E84-L86 VanDerWaalsContact C-N 3.29Å; E84-L86 PolarHBondContact O-N 2.85Å; L86-S89 PolarHBondContact O-N 3.35Å; L86-V90 PolarHBondContact O-N 2.85Å
87V98.7Very high97.4Very high0 Ų050.2 Ų50.20%026%0.26CS..Hα-helixtrans-62.7-48175.8172.20000110.7V83 E84 S89 V90 C91 Y112 Y124 Y132V83-V87 HydrophobicContact CG2-CG2 4.35Å; V83-V87 WeakPolarHBondContact O-CG2 3.47Å; V83-V87 PolarHBondContact O-N 2.66Å; E84-V87 CarbonylContact O-C 3.6Å; E84-V87 WeakPolarHBondContact O-CB 3.25Å; E84-V87 PolarHBondContact O-N 2.92Å; E84-V87 VanDerWaalsContact O-N 3.13Å; V87-S89 VanDerWaalsContact C-N 3.33Å; V87-S89 PolarHBondContact O-N 2.98Å; V87-V90 VanDerWaalsContact O-CG1 3.23Å; V87-V90 WeakPolarHBondContact O-CG1 3.06Å; V87-V90 PolarHBondContact O-N 2.71Å; V87-C91 WeakPolarHBondContact O-CB 3.43Å; V87-C91 PolarHBondContact O-N 2.86Å; V87-C91 PolarHBondContact O-SG 2.81Å; V87-Y112 HydrophobicContact CG1-CD2 4.27Å; V87-Y112 HydrophobicContact CG1-CE2 4.09Å; V87-Y112 HydrophobicContact CG2-CD1 3.8Å; V87-Y112 HydrophobicContact CG2-CD2 3.58Å; V87-Y112 HydrophobicContact CG2-CE1 4.23Å; V87-Y112 HydrophobicContact CG2-CE2 4.03Å; V87-Y112 HydrophobicContact CG2-CG 3.44Å; V87-Y112 VanDerWaalsContact CG2-CG 3.44Å; V87-Y124 HydrophobicContact CG2-CG 4.34Å; V87-Y132 HydrophobicContact CG1-CD1 4.31Å; V87-Y132 HydrophobicContact CG1-CD2 3.59Å; V87-Y132 HydrophobicContact CG1-CE2 4.25Å; V87-Y132 HydrophobicContact CG1-CG 3.62Å
88E98.7Very high97.2Very high86 Ų8647.1 Ų47.140%0.40226%0.255SS..Hα-helixtrans-54.5-49.9176.1-175.4-179.4-164.100110.7E84 V90 C91 D92 Y132E84-E88 WeakPolarHBondContact O-CB 2.9Å; E84-E88 PolarHBondContact O-N 3.33Å; E88-V90 PolarHBondContact O-N 3.05Å; E88-C91 WeakPolarHBondContact O-CB 3.28Å; E88-C91 PolarHBondContact O-N 2.88Å; E88-D92 PolarHBondContact O-N 2.81Å; E88-Y132 HydrophobicContact CB-CE1 4.4Å
89S98.5Very high97Very high40 Ų4050 Ų5028%0.2825%0.252SS..Hα-helixtrans-58.3-41.6-179-60.80000113.5Q85 L86 V87 Y93Q85-S89 WeakPolarHBondContact O-CB 3.13Å; Q85-S89 PolarHBondContact O-N 2.88Å; Q85-S89 VanDerWaalsContact O-N 3.08Å; Q85-S89 PolarHBondContact O-OG 3.18Å; L86-S89 PolarHBondContact O-N 3.35Å; V87-S89 VanDerWaalsContact C-N 3.33Å; V87-S89 PolarHBondContact O-N 2.98Å; S89-Y93 PolarHBondContact O-N 2.83Å
90V98.6Very high96.7Very high0 Ų050.2 Ų50.20%025%0.248CC..Hα-helixtrans-77-30.3176.574.40000111.8L62 L66 L86 V87 E88 Y93 K94 Y112L62-V90 HydrophobicContact CB-CG2 4.41Å; L62-V90 HydrophobicContact CD2-CG2 3.95Å; L66-V90 HydrophobicContact CD1-CG2 4.37Å; L66-V90 HydrophobicContact CD2-CB 3.7Å; L66-V90 HydrophobicContact CD2-CG1 3.65Å; L66-V90 HydrophobicContact CD2-CG2 4.21Å; L66-V90 HydrophobicContact CG-CB 4.06Å; L66-V90 HydrophobicContact CG-CG1 4.28Å; L66-V90 HydrophobicContact CG-CG2 4.01Å; L86-V90 PolarHBondContact O-N 2.85Å; V87-V90 VanDerWaalsContact O-CG1 3.23Å; V87-V90 WeakPolarHBondContact O-CG1 3.06Å; V87-V90 PolarHBondContact O-N 2.71Å; E88-V90 PolarHBondContact O-N 3.05Å; V90-Y93 WeakPolarHBondContact O-CB 2.97Å; V90-Y93 PolarHBondContact O-N 2.9Å; V90-K94 WeakPolarHBondContact O-CG 3.4Å; V90-K94 PolarHBondContact O-N 2.9Å; V90-Y112 HydrophobicContact CG1-CE1 4.12Å; V90-Y112 WeakPolarHBondContact CG1-OH 3.42Å
91C98.6Very high96.4Very high1 Ų149.9 Ų49.91%0.00727%0.269CS..Hα-helixtrans-70.8-41.5179.9-75.80000111.8V87 E88 Y93 K94 Q95 S126 G130 Y132V87-C91 WeakPolarHBondContact O-CB 3.43Å; V87-C91 PolarHBondContact O-N 2.86Å; V87-C91 PolarHBondContact O-SG 2.81Å; E88-C91 WeakPolarHBondContact O-CB 3.28Å; E88-C91 PolarHBondContact O-N 2.88Å; C91-Y93 VanDerWaalsContact C-N 3.26Å; C91-Y93 PolarHBondContact O-N 2.85Å; C91-K94 PolarHBondContact O-N 3.21Å; C91-Q95 VanDerWaalsContact O-CB 3.24Å; C91-Q95 WeakPolarHBondContact O-CB 3.47Å; C91-Q95 PolarHBondContact O-N 3.29Å; C91-S126 WeakPolarHBondContact SG-CB 3.4Å; C91-G130 VanDerWaalsContact CB-O 3.25Å; C91-G130 WeakPolarHBondContact CB-O 3.49Å; C91-G130 WeakPolarHBondContact O-CA 3.3Å; C91-Y132 HydrophobicContact CB-CD1 3.73Å; C91-Y132 HydrophobicContact CB-CE1 4.31Å
92D98.3Very high96.1Very high99 Ų9954 Ų5453%0.52931%0.313SS..Hα-helixtrans-58-41.4170-76.9-12.3000111.4E88 Q95 A96E88-D92 PolarHBondContact O-N 2.81Å; D92-Q95 PolarHBondContact O-N 3.24Å; D92-A96 WeakPolarHBondContact O-CB 3.37Å; D92-A96 PolarHBondContact O-N 3.1Å
93Y97.7Very high95.8Very high67 Ų6756.9 Ų56.926%0.26332%0.319SS..Hα-helixtrans-64.2-43.5176-176.6-99.3000112.5L62 L65 S89 V90 C91 Y97 Y106L62-Y93 HydrophobicContact CD2-CD1 4.16Å; L62-Y93 HydrophobicContact CD2-CE1 4.38Å; L65-Y93 HydrophobicContact CD2-CD1 3.3Å; L65-Y93 HydrophobicContact CD2-CD2 3.97Å; L65-Y93 HydrophobicContact CD2-CE1 3.6Å; L65-Y93 HydrophobicContact CD2-CE2 4.25Å; L65-Y93 HydrophobicContact CD2-CG 3.49Å; L65-Y93 VanDerWaalsContact CD2-CG 3.49Å; S89-Y93 PolarHBondContact O-N 2.83Å; V90-Y93 WeakPolarHBondContact O-CB 2.97Å; V90-Y93 PolarHBondContact O-N 2.9Å; C91-Y93 VanDerWaalsContact C-N 3.26Å; C91-Y93 PolarHBondContact O-N 2.85Å; Y93-Y97 HydrophobicContact CE1-CE2 4.13Å; Y93-Y97 HydrophobicContact CE2-CE2 4.09Å; Y93-Y97 AromaticContact CZ-CE2 3.76Å; Y93-Y97 WeakPolarHBondContact O-CD2 3.5Å; Y93-Y97 PolarHBondContact OH-OH 2.97Å; Y93-Y106 HydrophobicContact CD1-CE2 4.09Å; Y93-Y106 AromaticContact CE1-CE2 3.62Å; Y93-Y106 HydrophobicContact CE1-CE2 3.62Å; Y93-Y106 AromaticContact CE1-CZ 3.61Å; Y93-Y106 VanDerWaalsContact CE1-OH 3.25Å; Y93-Y106 WeakPolarHBondContact CE1-OH 3.22Å; Y93-Y106 PolarHBondContact OH-OH 3.49Å
94K97.8Very high95.5Very high0 Ų063.9 Ų63.90%034%0.344CS..Hα-helixtrans-62.9-45.4174.2-70.1170.980.9-176.30111L62 V90 C91 A96 Y97 Y106 V108 S126 D127L62-K94 HydrophobicContact CD1-CD 4.04Å; L62-K94 HydrophobicContact CD1-CG 4.2Å; L62-K94 HydrophobicContact CD2-CG 4.03Å; V90-K94 WeakPolarHBondContact O-CG 3.4Å; V90-K94 PolarHBondContact O-N 2.9Å; C91-K94 PolarHBondContact O-N 3.21Å; K94-A96 VanDerWaalsContact C-N 3.33Å; K94-A96 PolarHBondContact O-N 3.34Å; K94-Y97 WeakPolarHBondContact O-CB 3.34Å; K94-Y97 PolarHBondContact O-N 3.33Å; K94-Y97 VanDerWaalsContact O-N 3.14Å; K94-Y106 HydrophobicContact CG-CD2 4.32Å; K94-V108 PolarHBondContact NZ-O 2.95Å; K94-S126 PolarHBondContact NZ-OG 3.37Å; K94-D127 WeakPolarHBondContact CE-O 3.29Å; K94-D127 PolarHBondContact NZ-O 3.37Å
95Q97.1Very high95.4Very high66 Ų6663.6 Ų63.631%0.30835%0.348SS..Hα-helixtrans-63-39.8-177.6-167.4-82.8-3.400111.2C91 D92 Y97 T98 S129C91-Q95 VanDerWaalsContact O-CB 3.24Å; C91-Q95 WeakPolarHBondContact O-CB 3.47Å; C91-Q95 PolarHBondContact O-N 3.29Å; D92-Q95 PolarHBondContact O-N 3.24Å; Q95-Y97 PolarHBondContact O-N 2.78Å; Q95-Y97 VanDerWaalsContact O-N 3.15Å; Q95-T98 WeakPolarHBondContact O-CA 3.42Å; Q95-T98 WeakPolarHBondContact O-CB 3.27Å; Q95-T98 PolarHBondContact O-N 3.01Å; Q95-T98 PolarHBondContact O-OG1 2.92Å; Q95-S129 WeakPolarHBondContact CA-O 3.33Å; Q95-S129 WeakPolarHBondContact CB-O 3.35Å; Q95-S129 WeakPolarHBondContact CG-O 3.1Å
96A96.2Very high95.3Very high28 Ų2860.5 Ų60.523%0.23133%0.334CS..Hα-helixtrans-57.5-31.6176.400000112.6D92 K94 T98 Q99 Y100D92-A96 WeakPolarHBondContact O-CB 3.37Å; D92-A96 PolarHBondContact O-N 3.1Å; K94-A96 VanDerWaalsContact C-N 3.33Å; K94-A96 PolarHBondContact O-N 3.34Å; A96-T98 PolarHBondContact O-N 3.09Å; A96-Q99 PolarHBondContact O-N 2.75Å; A96-Y100 WeakPolarHBondContact O-CD2 3.4Å
97Y95.5Very high95.2Very high54 Ų5461 Ų6121%0.21234%0.339CS..Hα-helixtrans-72.3-8175.7-84.8-117.8000113.9Y93 K94 Q95 K103 R104 Y106Y93-Y97 HydrophobicContact CE1-CE2 4.13Å; Y93-Y97 HydrophobicContact CE2-CE2 4.09Å; Y93-Y97 AromaticContact CZ-CE2 3.76Å; Y93-Y97 WeakPolarHBondContact O-CD2 3.5Å; Y93-Y97 PolarHBondContact OH-OH 2.97Å; K94-Y97 WeakPolarHBondContact O-CB 3.34Å; K94-Y97 PolarHBondContact O-N 3.33Å; K94-Y97 VanDerWaalsContact O-N 3.14Å; Q95-Y97 PolarHBondContact O-N 2.78Å; Q95-Y97 VanDerWaalsContact O-N 3.15Å; Y97-K103 HydrophobicContact CD1-CB 3.87Å; Y97-K103 HydrophobicContact CD1-CD 3.76Å; Y97-K103 HydrophobicContact CD1-CG 4.24Å; Y97-K103 HydrophobicContact CD2-CD 4.23Å; Y97-K103 HydrophobicContact CE1-CB 4.46Å; Y97-K103 HydrophobicContact CE1-CD 3.87Å; Y97-K103 HydrophobicContact CE1-CG 4.41Å; Y97-K103 HydrophobicContact CE2-CD 4.32Å; Y97-K103 HydrophobicContact CG-CB 4.39Å; Y97-K103 HydrophobicContact CG-CD 3.95Å; Y97-R104 WeakPolarHBondContact CD1-O 3.22Å; Y97-Y106 HydrophobicContact CD1-CD2 4.45Å; Y97-Y106 AromaticContact CD1-CE2 3.83Å; Y97-Y106 HydrophobicContact CD1-CE2 3.83Å; Y97-Y106 AromaticContact CD2-CE2 3.83Å; Y97-Y106 HydrophobicContact CD2-CE2 3.83Å; Y97-Y106 AromaticContact CE1-CE2 3.95Å; Y97-Y106 HydrophobicContact CE1-CE2 3.95Å; Y97-Y106 AromaticContact CE2-CE2 3.96Å; Y97-Y106 HydrophobicContact CE2-CE2 3.96Å; Y97-Y106 HydrophobicContact CG-CD2 4.29Å; Y97-Y106 AromaticContact CG-CE2 3.77Å; Y97-Y106 HydrophobicContact CG-CE2 3.77Å
98T93.4Very high95.2Very high67 Ų6761 Ų6141%0.41134%0.339SS..Hα-helixtrans-93.1-17.7174.276.10000112.7Q95 A96 P105Q95-T98 WeakPolarHBondContact O-CA 3.42Å; Q95-T98 WeakPolarHBondContact O-CB 3.27Å; Q95-T98 PolarHBondContact O-N 3.01Å; Q95-T98 PolarHBondContact O-OG1 2.92Å; A96-T98 PolarHBondContact O-N 3.09Å; T98-P105 HydrophobicContact CG2-CB 4.45Å; T98-P105 HydrophobicContact CG2-CG 4.24Å
99Q91.7Very high95.2Very high122 Ų12257.2 Ų57.257%0.5732%0.322SS*.Hα-helixtrans-92-30-173.7-63.5-172.2-29.700113.6A96A96-Q99 PolarHBondContact O-N 2.75Å
100Y88.9Confident95.2Very high141 Ų14155.4 Ų55.455%0.55331%0.309SS*.SBendtrans-98.5126.7-177.5-61.5-75.1000111.7A96 K103A96-Y100 WeakPolarHBondContact O-CD2 3.4Å; Y100-K103 PolarHBondContact O-N 2.84Å
101G88.2Confident95.2Very high80 Ų8055.4 Ų55.483%0.82531%0.309SS*.THydrogen-bonded Turntrans-57.9146.7171.100000112.3K103G101-K103 VanDerWaalsContact C-N 3.27Å; G101-K103 PolarHBondContact O-N 3.1Å
102G90.1Very high95.2Very high92 Ų9255.3 Ų55.395%0.94831%0.309SS*.THydrogen-bonded Turntrans82.8-6.1-179.600000115.1
103K90.5Very high95.2Very high98 Ų9850.7 Ų50.743%0.42628%0.284SS..PPolyproline II helixtrans-96.1148.3167.8-64.2-170.5177.7-1740110.3Y97 Y100 G101Y97-K103 HydrophobicContact CD1-CB 3.87Å; Y97-K103 HydrophobicContact CD1-CD 3.76Å; Y97-K103 HydrophobicContact CD1-CG 4.24Å; Y97-K103 HydrophobicContact CD2-CD 4.23Å; Y97-K103 HydrophobicContact CE1-CB 4.46Å; Y97-K103 HydrophobicContact CE1-CD 3.87Å; Y97-K103 HydrophobicContact CE1-CG 4.41Å; Y97-K103 HydrophobicContact CE2-CD 4.32Å; Y97-K103 HydrophobicContact CG-CB 4.39Å; Y97-K103 HydrophobicContact CG-CD 3.95Å; Y100-K103 PolarHBondContact O-N 2.84Å; G101-K103 VanDerWaalsContact C-N 3.27Å; G101-K103 PolarHBondContact O-N 3.1Å
104R93.3Very high95.3Very high150 Ų15047.5 Ų47.557%0.56627%0.271SS*.PPolyproline II helixtrans-101.7138.6168.161.9172.5-175.175.8-3109.5D58 Y97D58-R104 VanDerWaalsContact CG-NH1 3.29Å; D58-R104 IonicContact OD1-CZ 3.07Å; D58-R104 IonicContact OD1-NH1 3.97Å; D58-R104 PolarHBondContact OD1-NH1 3.29Å; D58-R104 IonicContact OD1-NH2 3.82Å; D58-R104 PolarHBondContact OD1-NH2 2.93Å; D58-R104 IonicContact OD2-CZ 3.38Å; D58-R104 IonicContact OD2-NH1 3.01Å; D58-R104 PolarHBondContact OD2-NH1 2.86Å; D58-R104 IonicContact OD2-NH2 2.79Å; Y97-R104 WeakPolarHBondContact CD1-O 3.22Å
105P94.9Very high95.2Very high62 Ų6250.2 Ų50.240%0.40328%0.282SS..PPolyproline II helixtrans-58.7153.2171.4-25.235000112.2T98 G107T98-P105 HydrophobicContact CG2-CB 4.45Å; T98-P105 HydrophobicContact CG2-CG 4.24Å; P105-G107 PolarHBondContact O-N 3.36Å
106Y96.5Very high95.1Very high17 Ų1748.3 Ų48.37%0.06727%0.274CS..PPolyproline II helixtrans-68.8119.4172.7-73-89.6000109.7D58 V61 L62 Y93 K94 Y97 V108 P128D58-Y106 HydrophobicContact CB-CD1 3.93Å; D58-Y106 WeakPolarHBondContact OD2-CA 3.39Å; V61-Y106 HydrophobicContact CB-CE1 4.28Å; V61-Y106 HydrophobicContact CG1-CE1 3.96Å; L62-Y106 HydrophobicContact CD1-CD1 4.13Å; L62-Y106 HydrophobicContact CD1-CG 4.12Å; L62-Y106 HydrophobicContact CD2-CD1 3.86Å; L62-Y106 HydrophobicContact CD2-CD2 4.19Å; L62-Y106 HydrophobicContact CD2-CE1 4.02Å; L62-Y106 HydrophobicContact CD2-CE2 4.33Å; L62-Y106 HydrophobicContact CD2-CG 3.98Å; L62-Y106 HydrophobicContact CG-CD1 3.86Å; L62-Y106 HydrophobicContact CG-CE1 4.29Å; L62-Y106 HydrophobicContact CG-CG 4.21Å; Y93-Y106 HydrophobicContact CD1-CE2 4.09Å; Y93-Y106 AromaticContact CE1-CE2 3.62Å; Y93-Y106 HydrophobicContact CE1-CE2 3.62Å; Y93-Y106 AromaticContact CE1-CZ 3.61Å; Y93-Y106 VanDerWaalsContact CE1-OH 3.25Å; Y93-Y106 WeakPolarHBondContact CE1-OH 3.22Å; Y93-Y106 PolarHBondContact OH-OH 3.49Å; K94-Y106 HydrophobicContact CG-CD2 4.32Å; Y97-Y106 HydrophobicContact CD1-CD2 4.45Å; Y97-Y106 AromaticContact CD1-CE2 3.83Å; Y97-Y106 HydrophobicContact CD1-CE2 3.83Å; Y97-Y106 AromaticContact CD2-CE2 3.83Å; Y97-Y106 HydrophobicContact CD2-CE2 3.83Å; Y97-Y106 AromaticContact CE1-CE2 3.95Å; Y97-Y106 HydrophobicContact CE1-CE2 3.95Å; Y97-Y106 AromaticContact CE2-CE2 3.96Å; Y97-Y106 HydrophobicContact CE2-CE2 3.96Å; Y97-Y106 HydrophobicContact CG-CD2 4.29Å; Y97-Y106 AromaticContact CG-CE2 3.77Å; Y97-Y106 HydrophobicContact CG-CE2 3.77Å; Y106-V108 PolarHBondContact O-N 2.87Å; Y106-P128 WeakPolarHBondContact O-CB 3.15Å; Y106-P128 WeakPolarHBondContact O-CG 3.17Å
107G96.5Very high94.8Very high12 Ų1252.4 Ų52.412%0.12430%0.301CS..  trans-77.844.3-175.800000113.9G54 I55 D58 P105G54-G107 VanDerWaalsContact CA-O 3.22Å; G54-G107 WeakPolarHBondContact CA-O 3.46Å; I55-G107 PolarHBondContact N-O 2.86Å; D58-G107 PolarHBondContact OD2-N 3.22Å; P105-G107 PolarHBondContact O-N 3.36Å
108V97.8Very high94.7Very high0 Ų056.8 Ų56.80%032%0.323CS..EExtended strand (participates in β ladder)trans-138128.5-169.5-173.20000111.4V52 A53 I55 D58 A59 L62 K94 Y106 V110V52-V108 HydrophobicContact CB-CG1 4.06Å; A53-V108 WeakPolarHBondContact O-CA 3.48Å; I55-V108 WeakPolarHBondContact O-CG2 3.2Å; D58-V108 HydrophobicContact CB-CG2 3.51Å; A59-V108 HydrophobicContact CB-CG1 3.98Å; A59-V108 HydrophobicContact CB-CG2 4.03Å; L62-V108 HydrophobicContact CD1-CB 4.27Å; K94-V108 PolarHBondContact NZ-O 2.95Å; Y106-V108 PolarHBondContact O-N 2.87Å; V108-V110 HydrophobicContact CG1-CG2 3.79Å
109S98.4Very high94.7Very high6 Ų660.4 Ų60.44%0.04233%0.33CS..EExtended strand (participates in β ladder)trans-96.6145.1160.2-70.10000109.5I4 A53 S126 I140I4-S109 WeakPolarHBondContact CD1-OG 3.29Å; A53-S109 PolarHBondContact N-O 2.84Å; A53-S109 PolarHBondContact O-N 2.86Å; S109-S126 WeakPolarHBondContact CA-O 3.2Å; S109-S126 WeakPolarHBondContact CB-O 3.43Å; S109-I140 WeakPolarHBondContact O-CD1 3.43Å
110V98.8Very high94.9Very high1 Ų155.5 Ų55.51%0.00631%0.312CS..EExtended strand (participates in β ladder)trans-133.1134-175.4-1740000109C50 S51 V52 V108 Y112 Q125 S126C50-V110 HydrophobicContact CB-CG1 3.76Å; S51-V110 WeakPolarHBondContact O-CA 3.44Å; V52-V110 HydrophobicContact CG1-CG1 4.25Å; V52-V110 HydrophobicContact CG1-CG2 4.2Å; V108-V110 HydrophobicContact CG1-CG2 3.79Å; V110-Y112 HydrophobicContact CB-CD2 4.39Å; V110-Y112 HydrophobicContact CB-CE1 4.01Å; V110-Y112 HydrophobicContact CB-CE2 3.67Å; V110-Y112 VanDerWaalsContact CB-CZ 3.44Å; V110-Y112 WeakPolarHBondContact CB-OH 3.32Å; V110-Y112 HydrophobicContact CG1-CD1 3.79Å; V110-Y112 HydrophobicContact CG1-CD2 4.12Å; V110-Y112 HydrophobicContact CG1-CE1 3.39Å; V110-Y112 HydrophobicContact CG1-CE2 3.77Å; V110-Y112 HydrophobicContact CG1-CG 4.14Å; V110-Y112 WeakPolarHBondContact O-CE2 3.41Å; V110-Q125 CarbonylContact O-C 3.54Å; V110-Q125 WeakPolarHBondContact O-CA 3.45Å; V110-S126 PolarHBondContact N-O 2.84Å; V110-S126 PolarHBondContact O-N 2.8Å
111L98.9Very high95.4Very high0 Ų050.4 Ų50.40%029%0.293CS..EExtended strand (participates in β ladder)trans-96.1131163.7-60.3-173.9000108.5C10 L21 C50 S51 L123 Y124 Q125 T138 I140C10-L111 HydrophobicContact CB-CD1 4.34Å; L21-L111 HydrophobicContact CD1-CB 4.02Å; L21-L111 HydrophobicContact CD1-CD1 4.18Å; C50-L111 CarbonylContact C-O 3.52Å; C50-L111 WeakPolarHBondContact CA-O 3.34Å; C50-L111 WeakPolarHBondContact CB-O 3.48Å; S51-L111 PolarHBondContact N-O 3.46Å; S51-L111 PolarHBondContact O-N 2.85Å; L111-L123 HydrophobicContact CB-CD1 4.2Å; L111-Y124 CarbonylContact C-O 3.56Å; L111-Y124 WeakPolarHBondContact CA-O 3.36Å; L111-Q125 HydrophobicContact CD2-CB 3.83Å; L111-Q125 HydrophobicContact CD2-CG 3.89Å; L111-T138 HydrophobicContact CD2-CG2 3.6Å; L111-I140 HydrophobicContact CD1-CG1 4.28Å; L111-I140 HydrophobicContact CD2-CD1 4.17Å; L111-I140 HydrophobicContact CD2-CG1 4.27Å; L111-I140 HydrophobicContact CD2-CG2 4.03Å; L111-I140 HydrophobicContact CG-CD1 3.79Å; L111-I140 HydrophobicContact CG-CG1 3.96Å
112Y98.8Very high95.8Very high0 Ų047.3 Ų47.30%026%0.257CS..EExtended strand (participates in β ladder)trans-118.9132.5179.3-47.4-99.4000108.7L44 C50 L66 V87 V90 V110 L123 Y124 S126L44-Y112 HydrophobicContact CD1-CD1 4.3Å; C50-Y112 HydrophobicContact CB-CD1 4.12Å; L66-Y112 HydrophobicContact CD1-CE1 3.8Å; L66-Y112 HydrophobicContact CD2-CE1 4.04Å; V87-Y112 HydrophobicContact CG1-CD2 4.27Å; V87-Y112 HydrophobicContact CG1-CE2 4.09Å; V87-Y112 HydrophobicContact CG2-CD1 3.8Å; V87-Y112 HydrophobicContact CG2-CD2 3.58Å; V87-Y112 HydrophobicContact CG2-CE1 4.23Å; V87-Y112 HydrophobicContact CG2-CE2 4.03Å; V87-Y112 HydrophobicContact CG2-CG 3.44Å; V87-Y112 VanDerWaalsContact CG2-CG 3.44Å; V90-Y112 HydrophobicContact CG1-CE1 4.12Å; V90-Y112 WeakPolarHBondContact CG1-OH 3.42Å; V110-Y112 HydrophobicContact CB-CD2 4.39Å; V110-Y112 HydrophobicContact CB-CE1 4.01Å; V110-Y112 HydrophobicContact CB-CE2 3.67Å; V110-Y112 VanDerWaalsContact CB-CZ 3.44Å; V110-Y112 WeakPolarHBondContact CB-OH 3.32Å; V110-Y112 HydrophobicContact CG1-CD1 3.79Å; V110-Y112 HydrophobicContact CG1-CD2 4.12Å; V110-Y112 HydrophobicContact CG1-CE1 3.39Å; V110-Y112 HydrophobicContact CG1-CE2 3.77Å; V110-Y112 HydrophobicContact CG1-CG 4.14Å; V110-Y112 WeakPolarHBondContact O-CE2 3.41Å; Y112-L123 CarbonylContact O-C 3.57Å; Y112-L123 VanDerWaalsContact O-CA 3.29Å; Y112-L123 WeakPolarHBondContact O-CA 3.37Å; Y112-Y124 PolarHBondContact N-O 2.92Å; Y112-Y124 PolarHBondContact O-N 3.06Å; Y112-S126 VanDerWaalsContact CE2-OG 3.28Å; Y112-S126 WeakPolarHBondContact CE2-OG 3.23Å; Y112-S126 PolarHBondContact OH-OG 3.05Å
113V98.8Very high96.3Very high1 Ų143 Ų431%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-122.8129.9179.2173.60000107.8V19 L21 I48 V49 Q122 L123 M191V19-V113 HydrophobicContact CB-CG1 3.52Å; V19-V113 HydrophobicContact CG1-CB 4.32Å; V19-V113 HydrophobicContact CG1-CG1 3.58Å; V19-V113 HydrophobicContact CG1-CG2 3.72Å; V19-V113 HydrophobicContact CG2-CG1 3.85Å; L21-V113 HydrophobicContact CB-CG2 4.46Å; L21-V113 HydrophobicContact CD1-CG2 4.06Å; L21-V113 HydrophobicContact CD2-CG2 4.39Å; I48-V113 WeakPolarHBondContact CA-O 3.25Å; I48-V113 WeakPolarHBondContact CG2-O 3.23Å; V49-V113 HydrophobicContact CG1-CB 3.8Å; V49-V113 HydrophobicContact CG1-CG1 4.15Å; V49-V113 PolarHBondContact N-O 3.14Å; V49-V113 PolarHBondContact O-N 3.41Å; V113-Q122 WeakPolarHBondContact CA-O 3.3Å; V113-L123 HydrophobicContact CG2-CD1 3.85Å; V113-M191 HydrophobicContact CG1-CB 4.06Å; V113-M191 HydrophobicContact CG1-CE 3.81Å; V113-M191 HydrophobicContact CG1-SD 3.74Å; V113-M191 WeakPolarHBondContact O-CE 3.27Å
114G98.3Very high96.7Very high0 Ų039.3 Ų39.30%020%0.195CC..EExtended strand (participates in β ladder)trans-148.6169.118000000111.9D47 Q122 M191D47-G114 WeakPolarHBondContact O-CA 3.5Å; G114-Q122 PolarHBondContact N-O 3.27Å; G114-Q122 VanDerWaalsContact N-O 3.1Å; G114-Q122 PolarHBondContact O-N 2.55Å; G114-M191 VanDerWaalsContact C-SD 3.57Å
115W97.2Very high96.9Very high58 Ų5834 Ų3422%0.2218%0.177CC..EExtended strand (participates in β ladder)trans-133.7133169.4-177.396.5000109.6G120 F121 M191 R193 T198W115-G120 VanDerWaalsContact CA-O 3.31Å; W115-G120 WeakPolarHBondContact CA-O 3.24Å; W115-F121 HydrophobicContact CB-CD1 4.14Å; W115-F121 HydrophobicContact CB-CE1 4.36Å; W115-F121 AromaticContact CD1-CD1 3.53Å; W115-F121 AromaticContact CD1-CE1 3.61Å; W115-F121 AromaticContact CD1-CG 3.81Å; W115-F121 AromaticContact CD1-CZ 3.97Å; W115-F121 HydrophobicContact CG-CD1 4.22Å; W115-F121 HydrophobicContact CG-CE1 4.27Å; W115-M191 HydrophobicContact CB-SD 4.1Å; W115-R193 HydrophobicContact CD2-CG 4.27Å; W115-R193 HydrophobicContact CG-CG 4.19Å; W115-R193 VanDerWaalsContact CH2-NH2 3.31Å; W115-R193 VanDerWaalsContact CZ2-NE 3.34Å; W115-T198 HydrophobicContact CB-CG2 4.22Å
116D93.4Very high97.1Very high26 Ų2631.1 Ų31.114%0.13916%0.159CC..EExtended strand (participates in β ladder)trans-131.8165.7167.674.748.5000111.9H118 Y119 G120 Q122D116-H118 PolarHBondContact O-N 2.8Å; D116-H118 WeakPolarHBondContact OD1-CA 3.39Å; D116-H118 PolarHBondContact OD1-N 2.87Å; D116-Y119 PolarHBondContact OD1-N 2.88Å; D116-G120 PolarHBondContact N-O 3.13Å; D116-G120 WeakPolarHBondContact O-CA 3.44Å; D116-G120 PolarHBondContact O-N 3.1Å; D116-Q122 PolarHBondContact OD2-NE2 3.12Å; D116-Q122 PolarHBondContact OD2-OE1 3.08Å
117S90.8Very high97.1Very high114 Ų11432.5 Ų32.580%0.79717%0.167SC*.THydrogen-bonded Turntrans-71.8-15-17655.70000114.5
118H92.6Very high97.2Very high145 Ų14532.7 Ų32.767%0.67117%0.166SC*.THydrogen-bonded Turntrans-94.9-43.8-175.4-171.263.3000111.8D116D116-H118 PolarHBondContact O-N 2.8Å; D116-H118 WeakPolarHBondContact OD1-CA 3.39Å; D116-H118 PolarHBondContact OD1-N 2.87Å
119Y94.2Very high97.1Very high144 Ų14435.2 Ų35.257%0.56518%0.184SC*.THydrogen-bonded Turntrans-108.7-12.1-176.8-64.6-58.4000113.9D116D116-Y119 PolarHBondContact OD1-N 2.88Å
120G96Very high97Very high19 Ų1935.4 Ų35.420%0.19619%0.186CC..EExtended strand (participates in β ladder)trans71.8-139.8-176.600000111.6W115 D116 Q122W115-G120 VanDerWaalsContact CA-O 3.31Å; W115-G120 WeakPolarHBondContact CA-O 3.24Å; D116-G120 PolarHBondContact N-O 3.13Å; D116-G120 WeakPolarHBondContact O-CA 3.44Å; D116-G120 PolarHBondContact O-N 3.1Å; G120-Q122 PolarHBondContact O-N 2.9Å; G120-Q122 PolarHBondContact O-OE1 3.11Å
121F98.3Very high97Very high33 Ų3340.3 Ų40.315%0.14521%0.213CC..EExtended strand (participates in β ladder)trans-71128.2178.9-66.6-66.1000111.5V14 Q17 V19 W115 M191 R193V14-F121 HydrophobicContact CG1-CB 3.93Å; Q17-F121 VanDerWaalsContact C-CE2 3.49Å; V19-F121 HydrophobicContact CG2-CB 3.61Å; V19-F121 HydrophobicContact CG2-CD1 3.87Å; V19-F121 HydrophobicContact CG2-CG 3.96Å; W115-F121 HydrophobicContact CB-CD1 4.14Å; W115-F121 HydrophobicContact CB-CE1 4.36Å; W115-F121 AromaticContact CD1-CD1 3.53Å; W115-F121 AromaticContact CD1-CE1 3.61Å; W115-F121 AromaticContact CD1-CG 3.81Å; W115-F121 AromaticContact CD1-CZ 3.97Å; W115-F121 HydrophobicContact CG-CD1 4.22Å; W115-F121 HydrophobicContact CG-CE1 4.27Å; F121-M191 HydrophobicContact CD1-CG 4.32Å; F121-M191 HydrophobicContact CD1-SD 4.21Å; F121-M191 HydrophobicContact CE1-CG 4.06Å; F121-M191 HydrophobicContact CE1-SD 4.43Å; F121-R193 HydrophobicContact CE1-CG 3.95Å; F121-R193 HydrophobicContact CE2-CG 4.43Å; F121-R193 HydrophobicContact CZ-CB 4.14Å; F121-R193 HydrophobicContact CZ-CG 3.55Å
122Q98.5Very high97Very high15 Ų1543.6 Ų43.67%0.0723%0.226CC..EExtended strand (participates in β ladder)trans-129.3145.6-178.2-68155.2-75.400111.2V83 V113 G114 D116 G120 Y124V83-Q122 HydrophobicContact CG1-CB 3.93Å; V83-Q122 HydrophobicContact CG1-CG 4.48Å; V113-Q122 WeakPolarHBondContact CA-O 3.3Å; G114-Q122 PolarHBondContact N-O 3.27Å; G114-Q122 VanDerWaalsContact N-O 3.1Å; G114-Q122 PolarHBondContact O-N 2.55Å; D116-Q122 PolarHBondContact OD2-NE2 3.12Å; D116-Q122 PolarHBondContact OD2-OE1 3.08Å; G120-Q122 PolarHBondContact O-N 2.9Å; G120-Q122 PolarHBondContact O-OE1 3.11Å; Q122-Y124 HydrophobicContact CB-CD2 4.24Å; Q122-Y124 HydrophobicContact CB-CE2 3.73Å; Q122-Y124 HydrophobicContact CG-CE2 4.23Å; Q122-Y124 PolarHBondContact NE2-OH 2.76Å; Q122-Y124 VanDerWaalsContact NE2-OH 3.14Å
123L98.9Very high96.9Very high2 Ų244.8 Ų44.81%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-127.2121.3171.3167.766.9000108.5G12 V14 L111 Y112 V113 G134 W135 T138G12-L123 VanDerWaalsContact O-CD2 3.3Å; G12-L123 WeakPolarHBondContact O-CD2 3.47Å; V14-L123 HydrophobicContact CG2-CB 3.42Å; V14-L123 VanDerWaalsContact CG2-CB 3.42Å; V14-L123 HydrophobicContact CG2-CD2 4.19Å; V14-L123 HydrophobicContact CG2-CG 4.48Å; L111-L123 HydrophobicContact CB-CD1 4.2Å; Y112-L123 CarbonylContact O-C 3.57Å; Y112-L123 VanDerWaalsContact O-CA 3.29Å; Y112-L123 WeakPolarHBondContact O-CA 3.37Å; V113-L123 HydrophobicContact CG2-CD1 3.85Å; L123-G134 CarbonylContact O-C 3.53Å; L123-G134 WeakPolarHBondContact O-CA 3.36Å; L123-W135 WeakPolarHBondContact CB-O 3.44Å; L123-W135 HydrophobicContact CD2-CB 4.29Å; L123-W135 HydrophobicContact CG-CB 4.38Å; L123-W135 PolarHBondContact O-N 3.39Å; L123-T138 HydrophobicContact CD2-CG2 4.02Å; L123-T138 HydrophobicContact CG-CG2 4.35Å
124Y98.9Very high96.9Very high20 Ų2047.2 Ų47.28%0.07826%0.263CS..EExtended strand (participates in β ladder)trans-113.2151.9173-69.2-94000110.2V83 E84 V87 L111 Y112 Q122 Y132 G133V83-Y124 HydrophobicContact CG1-CD2 4.14Å; V83-Y124 HydrophobicContact CG1-CE2 3.81Å; V83-Y124 HydrophobicContact CG2-CD2 4.33Å; E84-Y124 HydrophobicContact CB-CE1 4.25Å; E84-Y124 HydrophobicContact CB-CE2 4.11Å; E84-Y124 WeakPolarHBondContact CB-OH 3.48Å; E84-Y124 VanDerWaalsContact CD-OH 3.31Å; E84-Y124 HydrophobicContact CG-CE1 3.96Å; E84-Y124 PolarHBondContact OE2-OH 2.87Å; E84-Y124 VanDerWaalsContact OE2-OH 3.1Å; V87-Y124 HydrophobicContact CG2-CG 4.34Å; L111-Y124 CarbonylContact C-O 3.56Å; L111-Y124 WeakPolarHBondContact CA-O 3.36Å; Y112-Y124 PolarHBondContact N-O 2.92Å; Y112-Y124 PolarHBondContact O-N 3.06Å; Q122-Y124 HydrophobicContact CB-CD2 4.24Å; Q122-Y124 HydrophobicContact CB-CE2 3.73Å; Q122-Y124 HydrophobicContact CG-CE2 4.23Å; Q122-Y124 PolarHBondContact NE2-OH 2.76Å; Q122-Y124 VanDerWaalsContact NE2-OH 3.14Å; Y124-Y132 HydrophobicContact CD1-CD2 4.06Å; Y124-Y132 HydrophobicContact CD1-CE2 4.45Å; Y124-G133 CarbonylContact C-O 3.52Å; Y124-G133 WeakPolarHBondContact CA-O 3.26Å
125Q98.7Very high96.9Very high40 Ų4053.3 Ų53.319%0.18729%0.286CS..EExtended strand (participates in β ladder)trans-124.8138.3171.5175.3-176.4-21.500108.5V110 L111 Y132 G133 T138 I140V110-Q125 CarbonylContact O-C 3.54Å; V110-Q125 WeakPolarHBondContact O-CA 3.45Å; L111-Q125 HydrophobicContact CD2-CB 3.83Å; L111-Q125 HydrophobicContact CD2-CG 3.89Å; Q125-Y132 CarbonylContact O-C 3.52Å; Q125-Y132 WeakPolarHBondContact O-CA 3.48Å; Q125-Y132 WeakPolarHBondContact O-CB 3.08Å; Q125-G133 PolarHBondContact N-O 3.11Å; Q125-G133 PolarHBondContact O-N 3.22Å; Q125-T138 HydrophobicContact CB-CG2 4.18Å; Q125-T138 PolarHBondContact OE1-OG1 2.85Å; Q125-I140 HydrophobicContact CG-CG2 3.97Å
126S98.6Very high97Very high1 Ų156.2 Ų56.21%0.00730%0.3CS..EExtended strand (participates in β ladder)trans-126.6154.2168.2720000111.9C91 K94 S109 V110 Y112 N131C91-S126 WeakPolarHBondContact SG-CB 3.4Å; K94-S126 PolarHBondContact NZ-OG 3.37Å; S109-S126 WeakPolarHBondContact CA-O 3.2Å; S109-S126 WeakPolarHBondContact CB-O 3.43Å; V110-S126 PolarHBondContact N-O 2.84Å; V110-S126 PolarHBondContact O-N 2.8Å; Y112-S126 VanDerWaalsContact CE2-OG 3.28Å; Y112-S126 WeakPolarHBondContact CE2-OG 3.23Å; Y112-S126 PolarHBondContact OH-OG 3.05Å; S126-N131 VanDerWaalsContact CA-O 3.23Å; S126-N131 WeakPolarHBondContact CA-O 3.41Å
127D97.3Very high97.2Very high46 Ų4655.7 Ų55.725%0.24630%0.3CS..  trans-118.9173.3177.476.840.4000112K94 S129 G130 N131K94-D127 WeakPolarHBondContact CE-O 3.29Å; K94-D127 PolarHBondContact NZ-O 3.37Å; D127-S129 PolarHBondContact O-N 2.96Å; D127-S129 VanDerWaalsContact O-N 3.1Å; D127-S129 WeakPolarHBondContact OD1-CA 3.36Å; D127-S129 VanDerWaalsContact OD1-CB 3.24Å; D127-S129 WeakPolarHBondContact OD1-CB 3.34Å; D127-S129 PolarHBondContact OD1-N 3.03Å; D127-S129 PolarHBondContact OD1-OG 3.22Å; D127-G130 PolarHBondContact O-N 2.85Å; D127-N131 PolarHBondContact N-O 3.15Å
128P97.2Very high97.6Very high15 Ų1550.4 Ų50.410%0.09726%0.262CS..THydrogen-bonded Turntrans-54.9-23.3-178.2-33.540.7000116.8M1 I4 Y106 G130M1-P128 HydrophobicContact SD-CG 4.47Å; I4-P128 HydrophobicContact CD1-CG 3.52Å; Y106-P128 WeakPolarHBondContact O-CB 3.15Å; Y106-P128 WeakPolarHBondContact O-CG 3.17Å; P128-G130 PolarHBondContact O-N 2.79Å
129S96.2Very high97.9Very high54 Ų5443.6 Ų43.638%0.37823%0.231SC..THydrogen-bonded Turntrans-74.7-12.6178.572.30000113.2Q95 D127 N131Q95-S129 WeakPolarHBondContact CA-O 3.33Å; Q95-S129 WeakPolarHBondContact CB-O 3.35Å; Q95-S129 WeakPolarHBondContact CG-O 3.1Å; D127-S129 PolarHBondContact O-N 2.96Å; D127-S129 VanDerWaalsContact O-N 3.1Å; D127-S129 WeakPolarHBondContact OD1-CA 3.36Å; D127-S129 VanDerWaalsContact OD1-CB 3.24Å; D127-S129 WeakPolarHBondContact OD1-CB 3.34Å; D127-S129 PolarHBondContact OD1-N 3.03Å; D127-S129 PolarHBondContact OD1-OG 3.22Å; S129-N131 VanDerWaalsContact C-N 3.27Å; S129-N131 WeakPolarHBondContact OG-CB 3.48Å; S129-N131 PolarHBondContact OG-N 2.84Å; S129-N131 VanDerWaalsContact OG-N 3.13Å
130G96.9Very high98Very high9 Ų937 Ų379%0.09321%0.205CC..SBendtrans82.23.5-168.300000113.1C91 D127 P128C91-G130 VanDerWaalsContact CB-O 3.25Å; C91-G130 WeakPolarHBondContact CB-O 3.49Å; C91-G130 WeakPolarHBondContact O-CA 3.3Å; D127-G130 PolarHBondContact O-N 2.85Å; P128-G130 PolarHBondContact O-N 2.79Å
131N98Very high97.9Very high105 Ų10536.1 Ų36.156%0.56120%0.196SC*.  trans-65.6139.5166.2-162.1-75.6000109.8S126 D127 S129S126-N131 VanDerWaalsContact CA-O 3.23Å; S126-N131 WeakPolarHBondContact CA-O 3.41Å; D127-N131 PolarHBondContact N-O 3.15Å; S129-N131 VanDerWaalsContact C-N 3.27Å; S129-N131 WeakPolarHBondContact OG-CB 3.48Å; S129-N131 PolarHBondContact OG-N 2.84Å; S129-N131 VanDerWaalsContact OG-N 3.13Å
132Y98.5Very high97.6Very high69 Ų6936.2 Ų36.227%0.27120%0.198SC..EExtended strand (participates in β ladder)trans-140.8158.5174.272.4-85.4000111.7E84 V87 E88 C91 Y124 Q125E84-Y132 HydrophobicContact CG-CE2 4.35Å; V87-Y132 HydrophobicContact CG1-CD1 4.31Å; V87-Y132 HydrophobicContact CG1-CD2 3.59Å; V87-Y132 HydrophobicContact CG1-CE2 4.25Å; V87-Y132 HydrophobicContact CG1-CG 3.62Å; E88-Y132 HydrophobicContact CB-CE1 4.4Å; C91-Y132 HydrophobicContact CB-CD1 3.73Å; C91-Y132 HydrophobicContact CB-CE1 4.31Å; Y124-Y132 HydrophobicContact CD1-CD2 4.06Å; Y124-Y132 HydrophobicContact CD1-CE2 4.45Å; Q125-Y132 CarbonylContact O-C 3.52Å; Q125-Y132 WeakPolarHBondContact O-CA 3.48Å; Q125-Y132 WeakPolarHBondContact O-CB 3.08Å
133G98.2Very high97.3Very high25 Ų2539 Ų3926%0.25821%0.213SC..EExtended strand (participates in β ladder)trans-157.3155.6175.900000112.3Y124 Q125 W135Y124-G133 CarbonylContact C-O 3.52Å; Y124-G133 WeakPolarHBondContact CA-O 3.26Å; Q125-G133 PolarHBondContact N-O 3.11Å; Q125-G133 PolarHBondContact O-N 3.22Å; G133-W135 PolarHBondContact O-NE1 2.92Å
134G98.4Very high97.1Very high51 Ų5142.3 Ų42.353%0.52623%0.226SC..EExtended strand (participates in β ladder)trans-84.8143.3175.600000112.5L123L123-G134 CarbonylContact O-C 3.53Å; L123-G134 WeakPolarHBondContact O-CA 3.36Å
135W98.7Very high96.9Very high128 Ų12846.2 Ų46.249%0.48525%0.245SC..EExtended strand (participates in β ladder)trans-138.6150.3-175.3-60.987.5000111.5L123 G133 T138L123-W135 WeakPolarHBondContact CB-O 3.44Å; L123-W135 HydrophobicContact CD2-CB 4.29Å; L123-W135 HydrophobicContact CG-CB 4.38Å; L123-W135 PolarHBondContact O-N 3.39Å; G133-W135 PolarHBondContact O-NE1 2.92Å; W135-T138 HydrophobicContact CB-CG2 3.91Å; W135-T138 HydrophobicContact CD2-CG2 4.47Å; W135-T138 HydrophobicContact CG-CG2 3.84Å
136K98.5Very high96.7Very high119 Ų11946 Ų4652%0.51725%0.25SC..SBendtrans-83.6-37.2168.7-78.6-174.7174.9-174.40111.8V14 Y155 Y157V14-K136 VanDerWaalsContact CB-O 3.26Å; V14-K136 WeakPolarHBondContact CB-O 3.35Å; V14-K136 WeakPolarHBondContact CG2-O 3.33Å; V14-K136 PolarHBondContact N-O 3.2Å; K136-Y155 HydrophobicContact CB-CE1 3.74Å; K136-Y155 WeakPolarHBondContact CB-OH 3.29Å; K136-Y155 PolarHBondContact O-OH 2.93Å; K136-Y157 HydrophobicContact CD-CG 4.2Å
137A98.7Very high96.6Very high16 Ų1645.9 Ų45.913%0.13225%0.25CC..EExtended strand (participates in β ladder)trans-152.7143.2167.100000107.9G12 I13 L151 Y155G12-A137 CarbonylContact O-C 3.58Å; G12-A137 WeakPolarHBondContact O-CA 3.43Å; I13-A137 HydrophobicContact CG1-CB 4.24Å; I13-A137 HydrophobicContact CG2-CB 4.47Å; A137-L151 HydrophobicContact CB-CD1 4.23Å; A137-L151 HydrophobicContact CB-CD2 3.92Å; A137-Y155 HydrophobicContact CB-CD1 4.15Å; A137-Y155 HydrophobicContact CB-CD2 4.26Å; A137-Y155 HydrophobicContact CB-CE1 4.16Å; A137-Y155 HydrophobicContact CB-CE2 4.28Å; A137-Y155 HydrophobicContact CB-CG 4.19Å
138T98.5Very high96.6Very high3 Ų345.6 Ų45.62%0.01825%0.247CC..EExtended strand (participates in β ladder)trans-157167.9176-169.50000111L11 G12 L111 L123 Q125 W135L11-T138 WeakPolarHBondContact CA-O 3.33Å; G12-T138 PolarHBondContact N-O 2.98Å; G12-T138 PolarHBondContact O-N 3.07Å; L111-T138 HydrophobicContact CD2-CG2 3.6Å; L123-T138 HydrophobicContact CD2-CG2 4.02Å; L123-T138 HydrophobicContact CG-CG2 4.35Å; Q125-T138 HydrophobicContact CB-CG2 4.18Å; Q125-T138 PolarHBondContact OE1-OG1 2.85Å; W135-T138 HydrophobicContact CB-CG2 3.91Å; W135-T138 HydrophobicContact CD2-CG2 4.47Å; W135-T138 HydrophobicContact CG-CG2 3.84Å
139C97.9Very high96.6Very high1 Ų148 Ų481%0.00726%0.262CS..EExtended strand (participates in β ladder)trans-141.8141.9-178.5-171.10000110.7T9 C10 L11 A147 I148 L151T9-C139 WeakPolarHBondContact CG2-SG 3.24Å; C10-C139 CarbonylContact O-C 3.54Å; C10-C139 WeakPolarHBondContact O-CA 3.47Å; C10-C139 PolarHBondContact O-SG 2.96Å; C10-C139 VanDerWaalsContact O-SG 3.41Å; L11-C139 HydrophobicContact CB-CB 4.26Å; C139-A147 HydrophobicContact CB-CB 3.68Å; C139-A147 WeakPolarHBondContact SG-CB 3.4Å; C139-I148 HydrophobicContact CB-CD1 4.13Å; C139-L151 HydrophobicContact CB-CD1 4.39Å
140I97.3Very high96.7Very high6 Ų646.2 Ų46.23%0.03125%0.248CC..EExtended strand (participates in β ladder)trans-130167.6172.361.8174.8000109.8C10 A53 S109 L111 Q125C10-I140 HydrophobicContact CB-CD1 4.34Å; C10-I140 HydrophobicContact CB-CG1 3.8Å; C10-I140 PolarHBondContact N-O 3.41Å; C10-I140 PolarHBondContact O-N 3Å; A53-I140 HydrophobicContact CB-CB 4.48Å; A53-I140 HydrophobicContact CB-CD1 3.77Å; A53-I140 HydrophobicContact CB-CG1 3.86Å; S109-I140 WeakPolarHBondContact O-CD1 3.43Å; L111-I140 HydrophobicContact CD1-CG1 4.28Å; L111-I140 HydrophobicContact CD2-CD1 4.17Å; L111-I140 HydrophobicContact CD2-CG1 4.27Å; L111-I140 HydrophobicContact CD2-CG2 4.03Å; L111-I140 HydrophobicContact CG-CD1 3.79Å; L111-I140 HydrophobicContact CG-CG1 3.96Å; Q125-I140 HydrophobicContact CG-CG2 3.97Å
141G94.7Very high96.7Very high0 Ų046.2 Ų46.20%025%0.246CC..SBendtrans96.4-158.3179.400000113I4I4-G141 WeakPolarHBondContact O-CA 3.38Å
142N91.4Very high96.7Very high36 Ų3648.3 Ų48.319%0.19325%0.253CS..THydrogen-bonded Turntrans-58.4140.7179.7-175.446.7000112N5 A7 T9 R26 Y144N5-N142 WeakPolarHBondContact O-CA 3.07Å; N5-N142 WeakPolarHBondContact O-CB 3.29Å; N5-N142 PolarHBondContact O-OD1 3.36Å; A7-N142 WeakPolarHBondContact O-CB 3.42Å; A7-N142 PolarHBondContact O-N 3.04Å; T9-N142 PolarHBondContact OG1-O 3.48Å; R26-N142 VanDerWaalsContact NH2-CG 3.33Å; R26-N142 PolarHBondContact NH2-ND2 2.67Å; N142-Y144 PolarHBondContact O-N 3.04Å
143N91.3Very high96.6Very high72 Ų7251.2 Ų51.239%0.38527%0.269SS..THydrogen-bonded Turntrans50.628.4174.5-156.319.9000115.3Q145 A146 A147 T176N143-Q145 PolarHBondContact O-N 2.9Å; N143-Q145 VanDerWaalsContact O-N 3.16Å; N143-A146 PolarHBondContact O-N 3.16Å; N143-A146 VanDerWaalsContact O-N 3.11Å; N143-A147 PolarHBondContact O-N 2.96Å; N143-T176 HydrophobicContact CB-CG2 4.27Å
144Y94.5Very high96.5Very high72 Ų7254 Ų5428%0.28228%0.275SS..Hα-helixtrans-62.1-27.8-173.881.2-88.8000113N142 A146 A147 I148N142-Y144 PolarHBondContact O-N 3.04Å; Y144-A146 VanDerWaalsContact C-N 3.31Å; Y144-A146 PolarHBondContact O-N 2.9Å; Y144-A147 WeakPolarHBondContact O-CB 3.32Å; Y144-A147 PolarHBondContact O-N 2.67Å; Y144-I148 HydrophobicContact CD2-CG1 4.09Å; Y144-I148 VanDerWaalsContact O-CG1 3.31Å; Y144-I148 WeakPolarHBondContact O-CG1 3.4Å; Y144-I148 PolarHBondContact O-N 2.77Å
145Q95.1Very high96.5Very high103 Ų10353.5 Ų53.548%0.48126%0.257SS..Hα-helixtrans-58.9-41.4175.4-76.479.56.500112.6N143 I148 T149N143-Q145 PolarHBondContact O-N 2.9Å; N143-Q145 VanDerWaalsContact O-N 3.16Å; Q145-I148 PolarHBondContact O-N 2.81Å; Q145-T149 PolarHBondContact O-N 2.85Å; Q145-T149 PolarHBondContact O-OG1 2.8Å
146A94.9Very high96.5Very high34 Ų3450.1 Ų50.128%0.28125%0.249SC..Hα-helixtrans-66.3-42.2176.700000110.6N143 Y144 T149 L150N143-A146 PolarHBondContact O-N 3.16Å; N143-A146 VanDerWaalsContact O-N 3.11Å; Y144-A146 VanDerWaalsContact C-N 3.31Å; Y144-A146 PolarHBondContact O-N 2.9Å; A146-T149 WeakPolarHBondContact O-CB 3.3Å; A146-T149 PolarHBondContact O-N 2.84Å; A146-L150 WeakPolarHBondContact O-CG 3.21Å; A146-L150 PolarHBondContact O-N 3.25Å
147A96.1Very high96.4Very high0 Ų047.6 Ų47.60%024%0.237CC..Hα-helixtrans-59.6-45.9173.900000112.6C139 N143 Y144 T149 L150 L151 I172 T176C139-A147 HydrophobicContact CB-CB 3.68Å; C139-A147 WeakPolarHBondContact SG-CB 3.4Å; N143-A147 PolarHBondContact O-N 2.96Å; Y144-A147 WeakPolarHBondContact O-CB 3.32Å; Y144-A147 PolarHBondContact O-N 2.67Å; A147-T149 VanDerWaalsContact C-N 3.28Å; A147-T149 PolarHBondContact O-N 3.35Å; A147-L150 PolarHBondContact O-N 2.91Å; A147-L151 WeakPolarHBondContact O-CG 3.34Å; A147-L151 PolarHBondContact O-N 3.24Å; A147-I172 HydrophobicContact CB-CG2 3.47Å; A147-I172 VanDerWaalsContact CB-CG2 3.47Å; A147-T176 HydrophobicContact CB-CG2 3.96Å
148I98Very high96.4Very high39 Ų3951.9 Ų51.920%0.226%0.257CS..Hα-helixtrans-61.3-39.8177.8-67.2-61.9000110.8C139 Y144 Q145 L151 Q152C139-I148 HydrophobicContact CB-CD1 4.13Å; Y144-I148 HydrophobicContact CD2-CG1 4.09Å; Y144-I148 VanDerWaalsContact O-CG1 3.31Å; Y144-I148 WeakPolarHBondContact O-CG1 3.4Å; Y144-I148 PolarHBondContact O-N 2.77Å; Q145-I148 PolarHBondContact O-N 2.81Å; I148-L151 HydrophobicContact CD1-CD1 4.28Å; I148-L151 PolarHBondContact O-N 2.8Å; I148-Q152 HydrophobicContact CG2-CG 4.41Å; I148-Q152 WeakPolarHBondContact O-CB 3.37Å; I148-Q152 VanDerWaalsContact O-CG 3.27Å; I148-Q152 WeakPolarHBondContact O-CG 3.38Å; I148-Q152 PolarHBondContact O-N 3.02Å
149T97.8Very high96.3Very high66 Ų6659.4 Ų59.441%0.40529%0.289SS..Hα-helixtrans-62.7-43.9176.7-57.50000111.5Q145 A146 A147 Q152 Q153Q145-T149 PolarHBondContact O-N 2.85Å; Q145-T149 PolarHBondContact O-OG1 2.8Å; A146-T149 WeakPolarHBondContact O-CB 3.3Å; A146-T149 PolarHBondContact O-N 2.84Å; A147-T149 VanDerWaalsContact C-N 3.28Å; A147-T149 PolarHBondContact O-N 3.35Å; T149-Q152 PolarHBondContact O-N 3.46Å; T149-Q153 VanDerWaalsContact O-CG 3.31Å; T149-Q153 WeakPolarHBondContact O-CG 3.39Å; T149-Q153 PolarHBondContact O-N 2.93Å
150L96.3Very high96.3Very high17 Ų1760 Ų609%0.08929%0.292CS..Hα-helixtrans-65.3-42.9176.5-70.1169.6000111.9A146 A147 Q152 Q153 E154 I172 R175A146-L150 WeakPolarHBondContact O-CG 3.21Å; A146-L150 PolarHBondContact O-N 3.25Å; A147-L150 PolarHBondContact O-N 2.91Å; L150-Q152 VanDerWaalsContact C-N 3.34Å; L150-Q152 PolarHBondContact O-N 2.86Å; L150-Q153 PolarHBondContact O-N 2.99Å; L150-Q153 VanDerWaalsContact O-N 3.15Å; L150-E154 WeakPolarHBondContact O-CB 3.35Å; L150-E154 WeakPolarHBondContact O-CG 3.49Å; L150-E154 PolarHBondContact O-N 2.73Å; L150-I172 HydrophobicContact CB-CG1 4.08Å; L150-I172 HydrophobicContact CD1-CG1 4.25Å; L150-R175 HydrophobicContact CD1-CB 4Å; L150-R175 HydrophobicContact CD1-CG 4.49Å
151L98.3Very high96.3Very high8 Ų862.2 Ų62.24%0.04230%0.304CS..Hα-helixtrans-57.7-47.8173.8-74.5170.1000110.5I13 A137 C139 A147 I148 Q153 E154 Y155 L168 I172I13-L151 HydrophobicContact CD1-CD2 3.98Å; I13-L151 HydrophobicContact CG1-CD2 3.98Å; A137-L151 HydrophobicContact CB-CD1 4.23Å; A137-L151 HydrophobicContact CB-CD2 3.92Å; C139-L151 HydrophobicContact CB-CD1 4.39Å; A147-L151 WeakPolarHBondContact O-CG 3.34Å; A147-L151 PolarHBondContact O-N 3.24Å; I148-L151 HydrophobicContact CD1-CD1 4.28Å; I148-L151 PolarHBondContact O-N 2.8Å; L151-Q153 PolarHBondContact O-N 3.41Å; L151-Q153 VanDerWaalsContact O-N 3.16Å; L151-E154 PolarHBondContact O-N 2.82Å; L151-Y155 WeakPolarHBondContact O-CB 3.48Å; L151-Y155 PolarHBondContact O-N 2.98Å; L151-L168 HydrophobicContact CD2-CD2 4.2Å; L151-L168 HydrophobicContact CD2-CG 4.45Å; L151-I172 HydrophobicContact CD1-CD1 4.45Å; L151-I172 HydrophobicContact CD2-CD1 3.38Å; L151-I172 HydrophobicContact CG-CD1 3.56Å
152Q97.9Very high96.5Very high150 Ų15063.8 Ų63.870%0.70131%0.313SS*.Hα-helixtrans-60.2-27.4178.7-74.2173-16.400113.8I148 T149 L150I148-Q152 HydrophobicContact CG2-CG 4.41Å; I148-Q152 WeakPolarHBondContact O-CB 3.37Å; I148-Q152 VanDerWaalsContact O-CG 3.27Å; I148-Q152 WeakPolarHBondContact O-CG 3.38Å; I148-Q152 PolarHBondContact O-N 3.02Å; T149-Q152 PolarHBondContact O-N 3.46Å; L150-Q152 VanDerWaalsContact C-N 3.34Å; L150-Q152 PolarHBondContact O-N 2.86Å
153Q96.9Very high96.7Very high130 Ų13067.2 Ų67.261%0.60733%0.327SS*.Hα-helixtrans-86.2-40.1-179.4-71.3170.40.300113T149 L150 L151T149-Q153 VanDerWaalsContact O-CG 3.31Å; T149-Q153 WeakPolarHBondContact O-CG 3.39Å; T149-Q153 PolarHBondContact O-N 2.93Å; L150-Q153 PolarHBondContact O-N 2.99Å; L150-Q153 VanDerWaalsContact O-N 3.15Å; L151-Q153 PolarHBondContact O-N 3.41Å; L151-Q153 VanDerWaalsContact O-N 3.16Å
154E96Very high97Very high84 Ų8468 Ų6839%0.39333%0.329SS..Hα-helixtrans-108.8-18.4-164.7-58.6-79.8-172.200112.6L150 L151 L168 M171 R222L150-E154 WeakPolarHBondContact O-CB 3.35Å; L150-E154 WeakPolarHBondContact O-CG 3.49Å; L150-E154 PolarHBondContact O-N 2.73Å; L151-E154 PolarHBondContact O-N 2.82Å; E154-L168 HydrophobicContact CB-CD1 3.68Å; E154-L168 HydrophobicContact CB-CD2 4.33Å; E154-L168 HydrophobicContact CG-CD1 4.37Å; E154-M171 HydrophobicContact CB-CE 4.39Å; E154-M171 HydrophobicContact CG-CE 3.89Å; E154-R222 IonicContact OE1-CZ 2.72Å; E154-R222 IonicContact OE1-NH1 2.72Å; E154-R222 IonicContact OE1-NH2 3.03Å; E154-R222 PolarHBondContact OE1-NH2 3.36Å
155Y98.3Very high97.2Very high39 Ų3964.5 Ų64.515%0.15332%0.315CS..  trans-90.2123-178.1175.9-102.4000112.6I13 V14 K136 A137 L151 Y157 I160I13-Y155 HydrophobicContact CG2-CD2 3.73Å; I13-Y155 HydrophobicContact CG2-CE2 3.57Å; V14-Y155 WeakPolarHBondContact O-CE2 3.4Å; V14-Y155 PolarHBondContact O-OH 3.4Å; K136-Y155 HydrophobicContact CB-CE1 3.74Å; K136-Y155 WeakPolarHBondContact CB-OH 3.29Å; K136-Y155 PolarHBondContact O-OH 2.93Å; A137-Y155 HydrophobicContact CB-CD1 4.15Å; A137-Y155 HydrophobicContact CB-CD2 4.26Å; A137-Y155 HydrophobicContact CB-CE1 4.16Å; A137-Y155 HydrophobicContact CB-CE2 4.28Å; A137-Y155 HydrophobicContact CB-CG 4.19Å; L151-Y155 WeakPolarHBondContact O-CB 3.48Å; L151-Y155 PolarHBondContact O-N 2.98Å; Y155-Y157 WeakPolarHBondContact OH-CB 3.19Å; Y155-Y157 VanDerWaalsContact OH-CD2 3.22Å; Y155-Y157 WeakPolarHBondContact OH-CD2 3.42Å; Y155-I160 HydrophobicContact CD2-CD1 4.07Å; Y155-I160 HydrophobicContact CD2-CG2 4.04Å; Y155-I160 HydrophobicContact CE2-CG2 3.75Å
156D98.2Very high97.3Very high57 Ų5760.7 Ų60.731%0.30530%0.298SS..  trans-131.5104.4169.1-176.3-18.3000109.3D158 K159 I160D156-D158 PolarHBondContact O-N 2.84Å; D156-D158 PolarHBondContact OD1-N 3.24Å; D156-K159 HydrophobicContact CB-CB 4.3Å; D156-K159 PolarHBondContact O-N 2.88Å; D156-K159 VanDerWaalsContact OD2-CD 3.27Å; D156-K159 WeakPolarHBondContact OD2-CD 3.26Å; D156-K159 VanDerWaalsContact OD2-CE 3.25Å; D156-K159 WeakPolarHBondContact OD2-CE 3.22Å; D156-K159 IonicContact OD2-NZ 3.19Å; D156-K159 PolarHBondContact OD2-NZ 3.38Å; D156-I160 WeakPolarHBondContact O-CB 3.42Å; D156-I160 VanDerWaalsContact O-CG2 3.26Å; D156-I160 WeakPolarHBondContact O-CG2 3.44Å; D156-I160 PolarHBondContact O-N 2.95Å
157Y97.2Very high97.4Very high67 Ų6760 Ų6026%0.26329%0.289SS..THydrogen-bonded Turntrans-51.5-32.3-178177.8-106.7000113.7V14 K16 K136 Y155V14-Y157 HydrophobicContact CG1-CE2 4.12Å; K16-Y157 HydrophobicContact CG-CE1 4.3Å; K16-Y157 HydrophobicContact CG-CE2 4.4Å; K136-Y157 HydrophobicContact CD-CG 4.2Å; Y155-Y157 WeakPolarHBondContact OH-CB 3.19Å; Y155-Y157 VanDerWaalsContact OH-CD2 3.22Å; Y155-Y157 WeakPolarHBondContact OH-CD2 3.42Å
158D97.5Very high97.5Very high105 Ų10560.5 Ų60.556%0.56129%0.292SS*.THydrogen-bonded Turntrans-81.4-18.6-175.3-76.5-56000113.6K16 D156K16-D158 WeakPolarHBondContact CE-OD1 3.48Å; K16-D158 IonicContact NZ-OD1 3.22Å; K16-D158 PolarHBondContact NZ-OD1 3.38Å; D156-D158 PolarHBondContact O-N 2.84Å; D156-D158 PolarHBondContact OD1-N 3.24Å
159K96.9Very high97.5Very high161 Ų16158.7 Ų58.770%0.728%0.282SS*.THydrogen-bonded Turntrans-112.5-34.3-175.6-60.8-177.4-171.1129.30113.4D156 N161D156-K159 HydrophobicContact CB-CB 4.3Å; D156-K159 PolarHBondContact O-N 2.88Å; D156-K159 VanDerWaalsContact OD2-CD 3.27Å; D156-K159 WeakPolarHBondContact OD2-CD 3.26Å; D156-K159 VanDerWaalsContact OD2-CE 3.25Å; D156-K159 WeakPolarHBondContact OD2-CE 3.22Å; D156-K159 IonicContact OD2-NZ 3.19Å; D156-K159 PolarHBondContact OD2-NZ 3.38Å; K159-N161 PolarHBondContact O-N 3.43Å
160I98Very high97.5Very high13 Ų1355.5 Ų55.57%0.06726%0.263CS..  trans-70.2127.8-171.5-160.7169.1000110.8T15 Y155 D156 E164 A165 L168T15-I160 HydrophobicContact CG2-CG2 4.16Å; Y155-I160 HydrophobicContact CD2-CD1 4.07Å; Y155-I160 HydrophobicContact CD2-CG2 4.04Å; Y155-I160 HydrophobicContact CE2-CG2 3.75Å; D156-I160 WeakPolarHBondContact O-CB 3.42Å; D156-I160 VanDerWaalsContact O-CG2 3.26Å; D156-I160 WeakPolarHBondContact O-CG2 3.44Å; D156-I160 PolarHBondContact O-N 2.95Å; I160-E164 WeakPolarHBondContact CA-OE2 3.37Å; I160-E164 HydrophobicContact CD1-CB 4.37Å; I160-E164 HydrophobicContact CG1-CB 3.65Å; I160-A165 HydrophobicContact CD1-CB 4.04Å; I160-A165 HydrophobicContact CG1-CB 4.28Å; I160-L168 HydrophobicContact CD1-CD2 3.84Å
161N97.7Very high97.4Very high53 Ų5355.3 Ų55.328%0.28326%0.262SS..  trans-92.8173.3170.470.752.6000111.5K159 E163 E164 A165K159-N161 PolarHBondContact O-N 3.43Å; N161-E163 VanDerWaalsContact C-N 3.34Å; N161-E163 PolarHBondContact O-N 2.88Å; N161-E163 WeakPolarHBondContact OD1-CA 3.38Å; N161-E163 WeakPolarHBondContact OD1-CB 3.4Å; N161-E163 PolarHBondContact OD1-N 2.77Å; N161-E164 PolarHBondContact N-OE2 3.02Å; N161-E164 PolarHBondContact ND2-OE1 2.83Å; N161-E164 PolarHBondContact ND2-OE2 3.34Å; N161-E164 PolarHBondContact O-N 3.05Å; N161-E164 PolarHBondContact OD1-N 3.44Å; N161-A165 WeakPolarHBondContact O-CB 3.3Å; N161-A165 PolarHBondContact O-N 3.05Å
162L97.6Very high97.3Very high33 Ų3354.9 Ų54.917%0.17326%0.26CS..Hα-helixtrans-62.5-37.1-177.1-168.862.4000113.8Q17 V20 A165 L166 V190 T192Q17-L162 HydrophobicContact CB-CB 4.23Å; V20-L162 HydrophobicContact CG2-CD1 3.8Å; L162-A165 PolarHBondContact O-N 3.17Å; L162-L166 WeakPolarHBondContact O-CG 3.4Å; L162-L166 PolarHBondContact O-N 3.46Å; L162-V190 HydrophobicContact CD1-CG1 3.98Å; L162-V190 HydrophobicContact CD2-CG1 3.82Å; L162-V190 HydrophobicContact CG-CG1 4.22Å; L162-T192 HydrophobicContact CD2-CG2 3.63Å
163E97Very high97.2Very high108 Ų10847.8 Ų47.851%0.50523%0.226SC..Hα-helixtrans-68.6-44.6178.2-170.9-170.8151.800110.9N161 A165 L166 M167 R218N161-E163 VanDerWaalsContact C-N 3.34Å; N161-E163 PolarHBondContact O-N 2.88Å; N161-E163 WeakPolarHBondContact OD1-CA 3.38Å; N161-E163 WeakPolarHBondContact OD1-CB 3.4Å; N161-E163 PolarHBondContact OD1-N 2.77Å; E163-A165 VanDerWaalsContact C-N 3.31Å; E163-A165 PolarHBondContact O-N 3.15Å; E163-L166 WeakPolarHBondContact O-CB 3.08Å; E163-L166 PolarHBondContact O-N 2.76Å; E163-M167 WeakPolarHBondContact O-CG 3.27Å; E163-M167 PolarHBondContact O-N 2.8Å; E163-R218 IonicContact OE1-CZ 3.36Å; E163-R218 IonicContact OE1-NH1 2.81Å; E163-R218 IonicContact OE1-NH2 2.99Å; E163-R218 PolarHBondContact OE1-NH2 2.99Å
164E97.3Very high97Very high88 Ų8844.6 Ų44.641%0.41121%0.212SC..Hα-helixtrans-62.5-38.4174.7-70.3167.6166.100111.8I160 N161 L166 M167 L168I160-E164 WeakPolarHBondContact CA-OE2 3.37Å; I160-E164 HydrophobicContact CD1-CB 4.37Å; I160-E164 HydrophobicContact CG1-CB 3.65Å; N161-E164 PolarHBondContact N-OE2 3.02Å; N161-E164 PolarHBondContact ND2-OE1 2.83Å; N161-E164 PolarHBondContact ND2-OE2 3.34Å; N161-E164 PolarHBondContact O-N 3.05Å; N161-E164 PolarHBondContact OD1-N 3.44Å; E164-L166 VanDerWaalsContact C-N 3.35Å; E164-M167 PolarHBondContact O-N 3.05Å; E164-L168 WeakPolarHBondContact O-CB 3.48Å; E164-L168 PolarHBondContact O-N 3.07Å
165A98.5Very high96.8Very high0 Ų046 Ų460%021%0.213CC..Hα-helixtrans-63.9-38.4173.900000112.3I13 T15 V20 I160 N161 L162 E163 L168 A169I13-A165 HydrophobicContact CB-CB 4.36Å; I13-A165 HydrophobicContact CG2-CB 3.74Å; T15-A165 HydrophobicContact CG2-CB 3.46Å; T15-A165 VanDerWaalsContact CG2-CB 3.46Å; V20-A165 HydrophobicContact CG2-CB 4.02Å; I160-A165 HydrophobicContact CD1-CB 4.04Å; I160-A165 HydrophobicContact CG1-CB 4.28Å; N161-A165 WeakPolarHBondContact O-CB 3.3Å; N161-A165 PolarHBondContact O-N 3.05Å; L162-A165 PolarHBondContact O-N 3.17Å; E163-A165 VanDerWaalsContact C-N 3.31Å; E163-A165 PolarHBondContact O-N 3.15Å; A165-L168 PolarHBondContact O-N 3.44Å; A165-A169 WeakPolarHBondContact O-CB 3.45Å; A165-A169 PolarHBondContact O-N 3.17Å
166L98Very high96.4Very high23 Ų2344.3 Ų44.312%0.1221%0.207CC..Hα-helixtrans-62.5-44.7172.4-78.3169.3000111.5V20 L162 E163 E164 A169 M170 I188 V190 M203 L211V20-L166 HydrophobicContact CB-CD2 4.38Å; V20-L166 HydrophobicContact CG1-CD2 3.69Å; V20-L166 HydrophobicContact CG1-CG 4.49Å; V20-L166 HydrophobicContact CG2-CD2 3.75Å; V20-L166 HydrophobicContact CG2-CG 3.75Å; L162-L166 WeakPolarHBondContact O-CG 3.4Å; L162-L166 PolarHBondContact O-N 3.46Å; E163-L166 WeakPolarHBondContact O-CB 3.08Å; E163-L166 PolarHBondContact O-N 2.76Å; E164-L166 VanDerWaalsContact C-N 3.35Å; L166-A169 WeakPolarHBondContact O-CB 3.34Å; L166-A169 PolarHBondContact O-N 3.24Å; L166-M170 WeakPolarHBondContact O-CG 3.32Å; L166-M170 PolarHBondContact O-N 3.1Å; L166-I188 HydrophobicContact CD2-CG2 3.83Å; L166-V190 HydrophobicContact CD2-CG2 3.97Å; L166-M203 HydrophobicContact CD1-CE 3.87Å; L166-M203 HydrophobicContact CD2-CE 3.47Å; L166-M203 VanDerWaalsContact CD2-CE 3.47Å; L166-M203 HydrophobicContact CG-CE 4.34Å; L166-L211 HydrophobicContact CB-CD1 4.41Å; L166-L211 HydrophobicContact CD2-CD2 4.38Å
167M97Very high95.9Very high18 Ų1842.7 Ų42.79%0.08920%0.2CC..Hα-helixtrans-65.4-39.8177.4-62.8-46.9-57.800112.5E163 E164 A169 M170 M171 L211 E214 H215 R218E163-M167 WeakPolarHBondContact O-CG 3.27Å; E163-M167 PolarHBondContact O-N 2.8Å; E164-M167 PolarHBondContact O-N 3.05Å; M167-A169 VanDerWaalsContact C-N 3.33Å; M167-M170 PolarHBondContact O-N 3.47Å; M167-M171 PolarHBondContact O-N 2.91Å; M167-L211 HydrophobicContact SD-CD1 3.97Å; M167-E214 HydrophobicContact CE-CG 4.37Å; M167-E214 HydrophobicContact SD-CG 4.3Å; M167-H215 HydrophobicContact CE-CB 3.66Å; M167-R218 HydrophobicContact CE-CB 4.49Å; M167-R218 HydrophobicContact CE-CG 4.36Å
168L97.7Very high95.2Very high11 Ų1146 Ų466%0.05822%0.218CC..Hα-helixtrans-62.4-42.1174.3177.654.3000111.1I13 L151 E154 I160 E164 A165 M170 M171 I172I13-L168 HydrophobicContact CD1-CB 4.21Å; I13-L168 HydrophobicContact CD1-CD2 4.13Å; I13-L168 HydrophobicContact CD1-CG 3.95Å; L151-L168 HydrophobicContact CD2-CD2 4.2Å; L151-L168 HydrophobicContact CD2-CG 4.45Å; E154-L168 HydrophobicContact CB-CD1 3.68Å; E154-L168 HydrophobicContact CB-CD2 4.33Å; E154-L168 HydrophobicContact CG-CD1 4.37Å; I160-L168 HydrophobicContact CD1-CD2 3.84Å; E164-L168 WeakPolarHBondContact O-CB 3.48Å; E164-L168 PolarHBondContact O-N 3.07Å; A165-L168 PolarHBondContact O-N 3.44Å; L168-M170 VanDerWaalsContact C-N 3.35Å; L168-M170 PolarHBondContact O-N 3.31Å; L168-M171 HydrophobicContact CD1-CE 3.33Å; L168-M171 PolarHBondContact O-N 3.3Å; L168-I172 HydrophobicContact CD1-CD1 3.81Å; L168-I172 HydrophobicContact CD1-CG1 4.2Å; L168-I172 HydrophobicContact CG-CD1 3.93Å; L168-I172 WeakPolarHBondContact O-CD1 3.38Å; L168-I172 VanDerWaalsContact O-CG1 3.31Å; L168-I172 WeakPolarHBondContact O-CG1 3.46Å; L168-I172 PolarHBondContact O-N 2.95Å
169A98.1Very high94.5Very high1 Ų143.4 Ų43.41%0.00822%0.217CC..Hα-helixtrans-58.2-46.1173.300000111.7L11 I13 V20 A22 A165 L166 M167 I172 L173L11-A169 HydrophobicContact CD1-CB 3.59Å; L11-A169 HydrophobicContact CD2-CB 4.18Å; L11-A169 HydrophobicContact CG-CB 4.44Å; I13-A169 HydrophobicContact CD1-CB 4.16Å; V20-A169 HydrophobicContact CG1-CB 3.92Å; A22-A169 HydrophobicContact CB-CB 4.08Å; A165-A169 WeakPolarHBondContact O-CB 3.45Å; A165-A169 PolarHBondContact O-N 3.17Å; L166-A169 WeakPolarHBondContact O-CB 3.34Å; L166-A169 PolarHBondContact O-N 3.24Å; M167-A169 VanDerWaalsContact C-N 3.33Å; A169-I172 PolarHBondContact O-N 3.38Å; A169-L173 WeakPolarHBondContact O-CG 3.39Å; A169-L173 PolarHBondContact O-N 2.94Å
170M96.8Very high94Very high0 Ų043.3 Ų43.30%022%0.216CC..Hα-helixtrans-63.2-44.4178.1-68.1-55.1-72.300112.5L166 M167 L168 I172 L173 E174 L181 I188 L211 I212 H215L166-M170 WeakPolarHBondContact O-CG 3.32Å; L166-M170 PolarHBondContact O-N 3.1Å; M167-M170 PolarHBondContact O-N 3.47Å; L168-M170 VanDerWaalsContact C-N 3.35Å; L168-M170 PolarHBondContact O-N 3.31Å; M170-I172 VanDerWaalsContact C-N 3.31Å; M170-I172 PolarHBondContact O-N 3.22Å; M170-L173 PolarHBondContact O-N 3.05Å; M170-L173 HydrophobicContact SD-CD1 4.46Å; M170-E174 PolarHBondContact O-N 3.11Å; M170-L181 HydrophobicContact CE-CD1 3.51Å; M170-I188 HydrophobicContact SD-CD1 3.62Å; M170-L211 HydrophobicContact CG-CD2 3.69Å; M170-L211 HydrophobicContact CG-CG 3.84Å; M170-L211 HydrophobicContact SD-CD2 3.75Å; M170-L211 HydrophobicContact SD-CG 4.24Å; M170-I212 HydrophobicContact CE-CB 4.32Å; M170-I212 HydrophobicContact CE-CG1 3.42Å; M170-I212 VanDerWaalsContact CE-CG1 3.42Å; M170-H215 HydrophobicContact CB-CB 4.08Å
171M95.1Very high93.7Very high12 Ų1243.6 Ų43.66%0.05922%0.217CC..Hα-helixtrans-59-43.2175-178.4179.858.100111.6E154 M167 L168 E174 R175 H215 R222E154-M171 HydrophobicContact CB-CE 4.39Å; E154-M171 HydrophobicContact CG-CE 3.89Å; M167-M171 PolarHBondContact O-N 2.91Å; L168-M171 HydrophobicContact CD1-CE 3.33Å; L168-M171 PolarHBondContact O-N 3.3Å; M171-E174 PolarHBondContact O-N 3.16Å; M171-R175 WeakPolarHBondContact O-CB 3.36Å; M171-R175 WeakPolarHBondContact O-CG 3.38Å; M171-R175 PolarHBondContact O-N 3.39Å; M171-H215 VanDerWaalsContact CA-CE1 3.42Å; M171-H215 WeakPolarHBondContact CA-CE1 3.31Å; M171-H215 PolarHBondContact N-CE1 3.31Å; M171-R222 PolarHBondContact SD-NH1 2.9Å
172I96.1Very high93.4Very high0 Ų042 Ų420%021%0.211CC..Hα-helixtrans-66.9-43.9178.4-71.1162.9000111L11 A147 L150 L151 L168 A169 M170 R175 T176L11-I172 HydrophobicContact CD2-CB 4.03Å; L11-I172 HydrophobicContact CD2-CG2 3.77Å; A147-I172 HydrophobicContact CB-CG2 3.47Å; A147-I172 VanDerWaalsContact CB-CG2 3.47Å; L150-I172 HydrophobicContact CB-CG1 4.08Å; L150-I172 HydrophobicContact CD1-CG1 4.25Å; L151-I172 HydrophobicContact CD1-CD1 4.45Å; L151-I172 HydrophobicContact CD2-CD1 3.38Å; L151-I172 HydrophobicContact CG-CD1 3.56Å; L168-I172 HydrophobicContact CD1-CD1 3.81Å; L168-I172 HydrophobicContact CD1-CG1 4.2Å; L168-I172 HydrophobicContact CG-CD1 3.93Å; L168-I172 WeakPolarHBondContact O-CD1 3.38Å; L168-I172 VanDerWaalsContact O-CG1 3.31Å; L168-I172 WeakPolarHBondContact O-CG1 3.46Å; L168-I172 PolarHBondContact O-N 2.95Å; A169-I172 PolarHBondContact O-N 3.38Å; M170-I172 VanDerWaalsContact C-N 3.31Å; M170-I172 PolarHBondContact O-N 3.22Å; I172-R175 PolarHBondContact O-N 3.28Å; I172-T176 HydrophobicContact CG2-CG2 4.4Å; I172-T176 WeakPolarHBondContact O-CB 3.34Å; I172-T176 WeakPolarHBondContact O-CG2 3.41Å; I172-T176 PolarHBondContact O-N 2.98Å; I172-T176 PolarHBondContact O-OG1 3.48Å
173L95.4Very high93.1Very high0 Ų041 Ų410%021%0.207CC..Hα-helixtrans-59.4-47.9175.8-73.7178.4000110.6T9 L11 A22 E24 A169 M170 R175 T176 S177 L181 V186T9-L173 HydrophobicContact CG2-CD2 4.26Å; L11-L173 HydrophobicContact CD2-CD2 3.99Å; L11-L173 HydrophobicContact CD2-CG 3.87Å; A22-L173 HydrophobicContact CB-CD1 3.86Å; E24-L173 HydrophobicContact CB-CD2 4.3Å; A169-L173 WeakPolarHBondContact O-CG 3.39Å; A169-L173 PolarHBondContact O-N 2.94Å; M170-L173 PolarHBondContact O-N 3.05Å; M170-L173 HydrophobicContact SD-CD1 4.46Å; L173-R175 PolarHBondContact O-N 3.16Å; L173-T176 PolarHBondContact O-N 3.41Å; L173-T176 PolarHBondContact O-OG1 3.25Å; L173-S177 WeakPolarHBondContact O-CB 3.43Å; L173-S177 PolarHBondContact O-N 2.88Å; L173-S177 PolarHBondContact O-OG 3.19Å; L173-S177 VanDerWaalsContact O-OG 3.07Å; L173-L181 HydrophobicContact CB-CD2 4.14Å; L173-V186 HydrophobicContact CD1-CB 4.46Å; L173-V186 HydrophobicContact CD1-CG1 4.03Å
174E93.5Very high92.8Very high63 Ų6339 Ų3929%0.29420%0.198SC..Hα-helixtrans-58.1-49.1178.2-173.6176.6-145.600111.5M170 M171 T176 S177 L181 H215M170-E174 PolarHBondContact O-N 3.11Å; M171-E174 PolarHBondContact O-N 3.16Å; E174-T176 VanDerWaalsContact C-N 3.27Å; E174-T176 PolarHBondContact O-N 2.98Å; E174-S177 PolarHBondContact O-N 3.29Å; E174-S177 PolarHBondContact O-OG 3.38Å; E174-S177 VanDerWaalsContact O-OG 3.07Å; E174-L181 HydrophobicContact CB-CD1 3.88Å; E174-L181 HydrophobicContact CB-CD2 4.47Å; E174-L181 HydrophobicContact CB-CG 4.02Å; E174-L181 HydrophobicContact CG-CG 4.41Å; E174-H215 IonicContact OE2-CD2 3.64Å; E174-H215 IonicContact OE2-CE1 3.94Å; E174-H215 IonicContact OE2-NE2 3.74Å; E174-H215 PolarHBondContact OE2-NE2 3.14Å
175R91.3Very high92.5Very high114 Ų11437.5 Ų37.543%0.4319%0.19SC..Hα-helixtrans-72.2-16.7-177.1-66.4-166.9-172.8179.55.2114.5L150 M171 I172 L173 E219L150-R175 HydrophobicContact CD1-CB 4Å; L150-R175 HydrophobicContact CD1-CG 4.49Å; M171-R175 WeakPolarHBondContact O-CB 3.36Å; M171-R175 WeakPolarHBondContact O-CG 3.38Å; M171-R175 PolarHBondContact O-N 3.39Å; I172-R175 PolarHBondContact O-N 3.28Å; L173-R175 PolarHBondContact O-N 3.16Å; R175-E219 IonicContact NH2-OE2 3.05Å; R175-E219 PolarHBondContact NH2-OE2 3.19Å
176T89.6Confident92.2Very high4 Ų437.6 Ų37.63%0.02519%0.19CC..Hα-helixtrans-104.3-16.3176.658.40000114.2T9 N143 A147 I172 L173 E174T9-T176 PolarHBondContact OG1-OG1 3.02Å; T9-T176 VanDerWaalsContact OG1-OG1 3.11Å; N143-T176 HydrophobicContact CB-CG2 4.27Å; A147-T176 HydrophobicContact CB-CG2 3.96Å; I172-T176 HydrophobicContact CG2-CG2 4.4Å; I172-T176 WeakPolarHBondContact O-CB 3.34Å; I172-T176 WeakPolarHBondContact O-CG2 3.41Å; I172-T176 PolarHBondContact O-N 2.98Å; I172-T176 PolarHBondContact O-OG1 3.48Å; L173-T176 PolarHBondContact O-N 3.41Å; L173-T176 PolarHBondContact O-OG1 3.25Å; E174-T176 VanDerWaalsContact C-N 3.27Å; E174-T176 PolarHBondContact O-N 2.98Å
177S87.5Confident92.1Very high22 Ų2236.6 Ų36.615%0.15419%0.185CC..SBendtrans-79.4154.918068.90000113.2L173 E174 G179L173-S177 WeakPolarHBondContact O-CB 3.43Å; L173-S177 PolarHBondContact O-N 2.88Å; L173-S177 PolarHBondContact O-OG 3.19Å; L173-S177 VanDerWaalsContact O-OG 3.07Å; E174-S177 PolarHBondContact O-N 3.29Å; E174-S177 PolarHBondContact O-OG 3.38Å; E174-S177 VanDerWaalsContact O-OG 3.07Å; S177-G179 PolarHBondContact O-N 2.72Å; S177-G179 PolarHBondContact OG-O 3.44Å; S177-G179 VanDerWaalsContact OG-O 3.13Å
178E81.8Confident92.1Very high136 Ų13635.8 Ų35.864%0.63618%0.181SC*.SBendtrans-86.689.6171-68.2170.9-142.500109.4R26R26-E178 IonicContact CZ-OE1 2.83Å; R26-E178 IonicContact NH2-OE1 3.67Å; R26-E178 PolarHBondContact NH2-OE1 2.83Å
179G82.8Confident92.1Very high52 Ų5235.3 Ų35.354%0.53618%0.179SC..SBendtrans104-163.6175.100000113.9S177S177-G179 PolarHBondContact O-N 2.72Å; S177-G179 PolarHBondContact OG-O 3.44Å; S177-G179 VanDerWaalsContact OG-O 3.13Å
180K87.4Confident92.1Very high158 Ų15835.7 Ų35.769%0.68718%0.181SC*.  trans-72.5146.7-178.6-68.4-167.7173-163.10111.8
181L91.2Very high92.2Very high19 Ų1935.8 Ų35.810%0.09918%0.182CC..  trans-64.7141.6168.5-60.9-174.2000110.3M170 L173 E174 V186 I212M170-L181 HydrophobicContact CE-CD1 3.51Å; L173-L181 HydrophobicContact CB-CD2 4.14Å; E174-L181 HydrophobicContact CB-CD1 3.88Å; E174-L181 HydrophobicContact CB-CD2 4.47Å; E174-L181 HydrophobicContact CB-CG 4.02Å; E174-L181 HydrophobicContact CG-CG 4.41Å; L181-V186 HydrophobicContact CD2-CG1 4.02Å; L181-I212 HydrophobicContact CB-CD1 4.33Å; L181-I212 HydrophobicContact CB-CG1 4.2Å; L181-I212 HydrophobicContact CB-CG2 4.36Å
182A92Very high92.3Very high19 Ų1936.1 Ų36.116%0.15718%0.184CC..  trans-142.5150174.400000107.6E184 K185 V186 I212A182-E184 HydrophobicContact CB-CG 4.4Å; A182-E184 PolarHBondContact O-N 3.44Å; A182-E184 VanDerWaalsContact O-N 3.17Å; A182-K185 HydrophobicContact CB-CB 4.44Å; A182-K185 HydrophobicContact CB-CD 4.3Å; A182-K185 HydrophobicContact CB-CG 4.22Å; A182-K185 WeakPolarHBondContact O-CA 3.31Å; A182-K185 WeakPolarHBondContact O-CB 3.4Å; A182-K185 PolarHBondContact O-N 3Å; A182-V186 PolarHBondContact O-N 3.18Å; A182-I212 VanDerWaalsContact C-CD1 3.42Å
183P91.4Very high92.3Very high12 Ų1239.4 Ų39.48%0.07820%0.197CC..THydrogen-bonded Turntrans-63.9-23.3-172.827.9-37.5000113.5K205 R208 Q209 I212P183-K205 HydrophobicContact CB-CG 3.85Å; P183-K205 HydrophobicContact CG-CG 4.23Å; P183-R208 HydrophobicContact CB-CB 4.21Å; P183-R208 VanDerWaalsContact O-CZ 3.27Å; P183-R208 PolarHBondContact O-NE 3.29Å; P183-R208 PolarHBondContact O-NH2 3.39Å; P183-Q209 HydrophobicContact CB-CB 4.21Å; P183-Q209 VanDerWaalsContact CD-OE1 3.28Å; P183-Q209 HydrophobicContact CG-CB 4.36Å; P183-I212 HydrophobicContact CB-CD1 4.28Å
184E89.6Confident92.2Very high68 Ų6843.7 Ų43.732%0.31822%0.217SC..THydrogen-bonded Turntrans-77.9-20171.565.2-87-160.200113.7T28 D34 A182T28-E184 HydrophobicContact CG2-CB 4.38Å; T28-E184 HydrophobicContact CG2-CG 3.73Å; D34-E184 WeakPolarHBondContact OD2-CB 3.45Å; A182-E184 HydrophobicContact CB-CG 4.4Å; A182-E184 PolarHBondContact O-N 3.44Å; A182-E184 VanDerWaalsContact O-N 3.17Å
185K91.4Very high92.1Very high56 Ų5648.3 Ų48.324%0.24324%0.243CC..SBendtrans-88.9-7.1178.9-73.2-173.7174.3-172.40113.4E24 N25 T28 A182E24-K185 CarbonylContact C-O 3.55Å; E24-K185 VanDerWaalsContact CA-O 3.3Å; E24-K185 WeakPolarHBondContact CA-O 3.39Å; N25-K185 PolarHBondContact N-O 2.85Å; T28-K185 HydrophobicContact CG2-CB 4.45Å; T28-K185 HydrophobicContact CG2-CG 3.48Å; T28-K185 VanDerWaalsContact CG2-CG 3.48Å; A182-K185 HydrophobicContact CB-CB 4.44Å; A182-K185 HydrophobicContact CB-CD 4.3Å; A182-K185 HydrophobicContact CB-CG 4.22Å; A182-K185 WeakPolarHBondContact O-CA 3.31Å; A182-K185 WeakPolarHBondContact O-CB 3.4Å; A182-K185 PolarHBondContact O-N 3Å
186V93.4Very high92Very high1 Ų149.4 Ų49.41%0.00626%0.258CS..EExtended strand (participates in β ladder)trans-127.6135.4-175.8-61.60000110.4A23 L173 L181 A182 R208 I212A23-V186 CarbonylContact O-C 3.56Å; A23-V186 WeakPolarHBondContact O-CA 3.37Å; L173-V186 HydrophobicContact CD1-CB 4.46Å; L173-V186 HydrophobicContact CD1-CG1 4.03Å; L181-V186 HydrophobicContact CD2-CG1 4.02Å; A182-V186 PolarHBondContact O-N 3.18Å; V186-R208 HydrophobicContact CG2-CB 4.18Å; V186-R208 WeakPolarHBondContact O-CD 3.31Å; V186-R208 PolarHBondContact O-NE 3.41Å; V186-I212 HydrophobicContact CG2-CD1 4.12Å
187E94.7Very high92.1Very high2 Ų253.5 Ų53.51%0.00928%0.282CS..EExtended strand (participates in β ladder)trans-114.3135165.1-75.1178.2-166.600108.2A22 A23 N25 L38 E39 K40 I41A22-E187 CarbonylContact C-O 3.58Å; A22-E187 VanDerWaalsContact CA-O 3.32Å; A22-E187 WeakPolarHBondContact CA-O 3.47Å; A23-E187 HydrophobicContact CB-CB 4.45Å; A23-E187 PolarHBondContact N-O 2.9Å; A23-E187 PolarHBondContact O-N 3.27Å; N25-E187 WeakPolarHBondContact ND2-CG 3.39Å; N25-E187 PolarHBondContact ND2-OE1 3.43Å; N25-E187 PolarHBondContact OD1-OE1 2.89Å; L38-E187 WeakPolarHBondContact CA-OE1 3.07Å; L38-E187 HydrophobicContact CD2-CG 4.05Å; E39-E187 PolarHBondContact N-OE1 3.38Å; K40-E187 PolarHBondContact N-OE2 3.23Å; K40-E187 VanDerWaalsContact N-OE2 3.09Å; I41-E187 HydrophobicContact CD1-CB 3.84Å; I41-E187 HydrophobicContact CG1-CB 4.11Å; I41-E187 PolarHBondContact N-OE2 2.93Å
188I97Very high92.5Very high1 Ų153.2 Ų53.21%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-136.3129.3179.9-51.9177.7000107.7V20 L21 A22 L166 M170 V190 M203 L211V20-I188 HydrophobicContact CG1-CG2 4.46Å; L21-I188 CarbonylContact O-C 3.55Å; L21-I188 WeakPolarHBondContact O-CA 3.27Å; A22-I188 HydrophobicContact CB-CG1 4.23Å; L166-I188 HydrophobicContact CD2-CG2 3.83Å; M170-I188 HydrophobicContact SD-CD1 3.62Å; I188-V190 HydrophobicContact CG2-CG2 4.48Å; I188-M203 HydrophobicContact CB-CB 4.4Å; I188-M203 HydrophobicContact CB-CE 4.37Å; I188-M203 HydrophobicContact CB-CG 4.31Å; I188-M203 HydrophobicContact CB-SD 3.93Å; I188-M203 HydrophobicContact CD1-SD 4.24Å; I188-M203 HydrophobicContact CG2-CE 3.64Å; I188-M203 HydrophobicContact CG2-CG 4.46Å; I188-M203 HydrophobicContact CG2-SD 3.87Å; I188-M203 PolarHBondContact O-N 3.42Å; I188-L211 HydrophobicContact CD1-CD2 3.43Å; I188-L211 VanDerWaalsContact CD1-CD2 3.43Å
189A97.9Very high93.3Very high1 Ų149.8 Ų49.81%0.00826%0.263CS..EExtended strand (participates in β ladder)trans-122.3144.1168.100000110.1L21 I41 E201 I202L21-A189 HydrophobicContact CB-CB 4.48Å; L21-A189 PolarHBondContact N-O 3.16Å; L21-A189 PolarHBondContact O-N 3.39Å; I41-A189 HydrophobicContact CD1-CB 4.04Å; I41-A189 HydrophobicContact CG2-CB 3.83Å; A189-E201 CarbonylContact C-O 3.39Å; A189-E201 WeakPolarHBondContact CA-O 3.47Å; A189-I202 HydrophobicContact CB-CG1 4.11Å
190V98.5Very high94Very high10 Ų1048.4 Ų48.46%0.06124%0.243CC..EExtended strand (participates in β ladder)trans-123.2127.7176.9-173.30000108.1V19 L162 L166 I188 T192 I200 E201 M203V19-V190 WeakPolarHBondContact O-CA 3.4Å; L162-V190 HydrophobicContact CD1-CG1 3.98Å; L162-V190 HydrophobicContact CD2-CG1 3.82Å; L162-V190 HydrophobicContact CG-CG1 4.22Å; L166-V190 HydrophobicContact CD2-CG2 3.97Å; I188-V190 HydrophobicContact CG2-CG2 4.48Å; V190-T192 HydrophobicContact CG1-CG2 3.89Å; V190-I200 WeakPolarHBondContact O-CA 3.44Å; V190-E201 PolarHBondContact N-O 3.27Å; V190-E201 PolarHBondContact O-N 2.73Å; V190-M203 HydrophobicContact CG2-CE 3.45Å; V190-M203 VanDerWaalsContact CG2-CE 3.45Å
191M98.5Very high94.4Very high2 Ų245.2 Ų45.21%0.0123%0.231CC..EExtended strand (participates in β ladder)trans-101.7125.7170.1-178.2-179.2-77.100109.4G18 V19 D47 V49 V113 G114 W115 F121 T198 K199 I200G18-M191 CarbonylContact C-O 3.45Å; G18-M191 WeakPolarHBondContact CA-O 3.37Å; V19-M191 HydrophobicContact CB-CB 4.37Å; V19-M191 PolarHBondContact N-O 2.72Å; V19-M191 PolarHBondContact O-N 2.86Å; D47-M191 WeakPolarHBondContact O-CE 3.18Å; V49-M191 HydrophobicContact CG1-CE 4.11Å; V113-M191 HydrophobicContact CG1-CB 4.06Å; V113-M191 HydrophobicContact CG1-CE 3.81Å; V113-M191 HydrophobicContact CG1-SD 3.74Å; V113-M191 WeakPolarHBondContact O-CE 3.27Å; G114-M191 VanDerWaalsContact C-SD 3.57Å; W115-M191 HydrophobicContact CB-SD 4.1Å; F121-M191 HydrophobicContact CD1-CG 4.32Å; F121-M191 HydrophobicContact CD1-SD 4.21Å; F121-M191 HydrophobicContact CE1-CG 4.06Å; F121-M191 HydrophobicContact CE1-SD 4.43Å; M191-T198 HydrophobicContact CE-CG2 4.12Å; M191-T198 HydrophobicContact CG-CG2 3.76Å; M191-T198 HydrophobicContact SD-CG2 3.87Å; M191-K199 CarbonylContact C-O 3.57Å; M191-K199 VanDerWaalsContact CA-O 3.3Å; M191-K199 WeakPolarHBondContact CA-O 3.4Å; M191-I200 HydrophobicContact CE-CD1 3.68Å; M191-I200 HydrophobicContact CE-CG1 3.69Å; M191-I200 HydrophobicContact CG-CG1 4.27Å
192T98.3Very high94.5Very high19 Ų1947.1 Ų47.112%0.11724%0.24CC..EExtended strand (participates in β ladder)trans-133.4176.6175.260.30000111L162 V190 K199L162-T192 HydrophobicContact CD2-CG2 3.63Å; V190-T192 HydrophobicContact CG1-CG2 3.89Å; T192-K199 PolarHBondContact N-O 2.87Å; T192-K199 PolarHBondContact O-N 3.48Å
193R96.1Very high94.7Very high69 Ų6947.2 Ų47.226%0.2624%0.238SC..EExtended strand (participates in β ladder)trans-120.3120173.4-74.1-82-71.5166.93.4109.2W115 F121 D196 V197W115-R193 HydrophobicContact CD2-CG 4.27Å; W115-R193 HydrophobicContact CG-CG 4.19Å; W115-R193 VanDerWaalsContact CH2-NH2 3.31Å; W115-R193 VanDerWaalsContact CZ2-NE 3.34Å; F121-R193 HydrophobicContact CE1-CG 3.95Å; F121-R193 HydrophobicContact CE2-CG 4.43Å; F121-R193 HydrophobicContact CZ-CB 4.14Å; F121-R193 HydrophobicContact CZ-CG 3.55Å; R193-D196 VanDerWaalsContact CZ-O 3.24Å; R193-D196 PolarHBondContact NH1-O 3.2Å; R193-D196 VanDerWaalsContact NH2-C 3.3Å; R193-D196 PolarHBondContact NH2-O 3.45Å; R193-D196 VanDerWaalsContact NH2-O 3.14Å; R193-D196 IonicContact NH2-OD1 2.67Å; R193-D196 PolarHBondContact NH2-OD1 3.5Å; R193-D196 VanDerWaalsContact NH2-OD1 3.07Å; R193-V197 WeakPolarHBondContact CA-O 3.41Å
194E93.4Very high94.8Very high90 Ų9049.8 Ų49.842%0.42126%0.255SS..EExtended strand (participates in β ladder)trans-124.8125175.5-69179-165.700108.7D196 V197 K199E194-D196 VanDerWaalsContact C-N 3.27Å; E194-D196 PolarHBondContact O-N 3.03Å; E194-V197 PolarHBondContact N-O 3.07Å; E194-V197 WeakPolarHBondContact O-CB 3.25Å; E194-V197 PolarHBondContact O-N 3.07Å; E194-K199 VanDerWaalsContact CD-CD 3.5Å; E194-K199 HydrophobicContact CG-CD 4.39Å; E194-K199 VanDerWaalsContact OE1-CD 3.25Å; E194-K199 WeakPolarHBondContact OE1-CD 3.08Å; E194-K199 IonicContact OE1-NZ 3.35Å; E194-K199 PolarHBondContact OE1-NZ 2.82Å; E194-K199 IonicContact OE2-NZ 2.77Å; E194-K199 PolarHBondContact OE2-NZ 3.43Å
195N91.3Very high94.8Very high159 Ų15949.7 Ų49.785%0.8525%0.253SS*.THydrogen-bonded Turntrans4945.2179.2-56.6-42.6000113.9V197N195-V197 PolarHBondContact O-N 2.92Å
196D87.3Confident95Very high138 Ų13854 Ų5474%0.73827%0.274SS*.THydrogen-bonded Turntrans58.723.3-175.6-67.1-52.5000116.2R193 E194R193-D196 VanDerWaalsContact CZ-O 3.24Å; R193-D196 PolarHBondContact NH1-O 3.2Å; R193-D196 VanDerWaalsContact NH2-C 3.3Å; R193-D196 PolarHBondContact NH2-O 3.45Å; R193-D196 VanDerWaalsContact NH2-O 3.14Å; R193-D196 IonicContact NH2-OD1 2.67Å; R193-D196 PolarHBondContact NH2-OD1 3.5Å; R193-D196 VanDerWaalsContact NH2-OD1 3.07Å; E194-D196 VanDerWaalsContact C-N 3.27Å; E194-D196 PolarHBondContact O-N 3.03Å
197V93.1Very high95.1Very high89 Ų8958.6 Ų58.654%0.53930%0.296SS..EExtended strand (participates in β ladder)trans-117.7133.6171.8-177.10000109.8R193 E194 N195 K199R193-V197 WeakPolarHBondContact CA-O 3.41Å; E194-V197 PolarHBondContact N-O 3.07Å; E194-V197 WeakPolarHBondContact O-CB 3.25Å; E194-V197 PolarHBondContact O-N 3.07Å; N195-V197 PolarHBondContact O-N 2.92Å; V197-K199 PolarHBondContact O-N 3.07Å
198T96.2Very high95.1Very high17 Ų1759 Ų5910%0.10430%0.297CS..EExtended strand (participates in β ladder)trans-72.4125173.1-54.50000109.2D47 W115 M191D47-T198 HydrophobicContact CB-CG2 4.12Å; W115-T198 HydrophobicContact CB-CG2 4.22Å; M191-T198 HydrophobicContact CE-CG2 4.12Å; M191-T198 HydrophobicContact CG-CG2 3.76Å; M191-T198 HydrophobicContact SD-CG2 3.87Å
199K97.2Very high95Very high64 Ų6462.8 Ų62.828%0.27832%0.315SS..EExtended strand (participates in β ladder)trans-113131.4177.7-165.4-169.9-163.6-169.10108.8M191 T192 E194 V197 E201M191-K199 CarbonylContact C-O 3.57Å; M191-K199 VanDerWaalsContact CA-O 3.3Å; M191-K199 WeakPolarHBondContact CA-O 3.4Å; T192-K199 PolarHBondContact N-O 2.87Å; T192-K199 PolarHBondContact O-N 3.48Å; E194-K199 VanDerWaalsContact CD-CD 3.5Å; E194-K199 HydrophobicContact CG-CD 4.39Å; E194-K199 VanDerWaalsContact OE1-CD 3.25Å; E194-K199 WeakPolarHBondContact OE1-CD 3.08Å; E194-K199 IonicContact OE1-NZ 3.35Å; E194-K199 PolarHBondContact OE1-NZ 2.82Å; E194-K199 IonicContact OE2-NZ 2.77Å; E194-K199 PolarHBondContact OE2-NZ 3.43Å; V197-K199 PolarHBondContact O-N 3.07Å; K199-E201 HydrophobicContact CD-CG 3.98Å; K199-E201 VanDerWaalsContact CE-CD 3.49Å; K199-E201 WeakPolarHBondContact CE-OE1 3.34Å; K199-E201 HydrophobicContact CG-CG 4.05Å; K199-E201 IonicContact NZ-OE1 3.85Å; K199-E201 PolarHBondContact NZ-OE1 3.4Å; K199-E201 IonicContact NZ-OE2 2.85Å
200I97.5Very high95Very high22 Ų2269.5 Ų69.511%0.11334%0.344CS..EExtended strand (participates in β ladder)trans-119.8112.4175.2-60.7165.5000106.5K43 E46 V49 V190 M191K43-I200 HydrophobicContact CG-CD1 4.49Å; E46-I200 WeakPolarHBondContact O-CD1 3.34Å; V49-I200 HydrophobicContact CB-CD1 4.17Å; V49-I200 HydrophobicContact CB-CG2 4.07Å; V49-I200 HydrophobicContact CG1-CD1 4.46Å; V49-I200 HydrophobicContact CG1-CG2 4.21Å; V49-I200 HydrophobicContact CG2-CG2 4.29Å; V190-I200 WeakPolarHBondContact O-CA 3.44Å; M191-I200 HydrophobicContact CE-CD1 3.68Å; M191-I200 HydrophobicContact CE-CG1 3.69Å; M191-I200 HydrophobicContact CG-CG1 4.27Å
201E96.1Very high94.9Very high91 Ų9170.1 Ų70.143%0.42535%0.347SS..EExtended strand (participates in β ladder)trans-109.3124.4178-66.2-176.7138.100109A189 V190 K199A189-E201 CarbonylContact C-O 3.39Å; A189-E201 WeakPolarHBondContact CA-O 3.47Å; V190-E201 PolarHBondContact N-O 3.27Å; V190-E201 PolarHBondContact O-N 2.73Å; K199-E201 HydrophobicContact CD-CG 3.98Å; K199-E201 VanDerWaalsContact CE-CD 3.49Å; K199-E201 WeakPolarHBondContact CE-OE1 3.34Å; K199-E201 HydrophobicContact CG-CG 4.05Å; K199-E201 IonicContact NZ-OE1 3.85Å; K199-E201 PolarHBondContact NZ-OE1 3.4Å; K199-E201 IonicContact NZ-OE2 2.85Å
202I94.7Very high94.8Very high59 Ų5970.2 Ų70.230%0.30335%0.347SS..EExtended strand (participates in β ladder)trans-98.6118.9171.9-53.1-177.6000106.4L38 I41 A189L38-I202 HydrophobicContact CD1-CD1 3.32Å; L38-I202 HydrophobicContact CD1-CG1 4.42Å; L38-I202 HydrophobicContact CD1-CG2 3.8Å; L38-I202 HydrophobicContact CD2-CG2 3.97Å; I41-I202 HydrophobicContact CG2-CD1 4.42Å; A189-I202 HydrophobicContact CB-CG1 4.11Å
203M94.7Very high94.8Very high21 Ų2172.9 Ų72.910%0.10336%0.363CS..PPolyproline II helixtrans-66125.7-171.2-72-174.8-163.100110.9L166 I188 V190 E207 R208 L211L166-M203 HydrophobicContact CD1-CE 3.87Å; L166-M203 HydrophobicContact CD2-CE 3.47Å; L166-M203 VanDerWaalsContact CD2-CE 3.47Å; L166-M203 HydrophobicContact CG-CE 4.34Å; I188-M203 HydrophobicContact CB-CB 4.4Å; I188-M203 HydrophobicContact CB-CE 4.37Å; I188-M203 HydrophobicContact CB-CG 4.31Å; I188-M203 HydrophobicContact CB-SD 3.93Å; I188-M203 HydrophobicContact CD1-SD 4.24Å; I188-M203 HydrophobicContact CG2-CE 3.64Å; I188-M203 HydrophobicContact CG2-CG 4.46Å; I188-M203 HydrophobicContact CG2-SD 3.87Å; I188-M203 PolarHBondContact O-N 3.42Å; V190-M203 HydrophobicContact CG2-CE 3.45Å; V190-M203 VanDerWaalsContact CG2-CE 3.45Å; M203-E207 HydrophobicContact CB-CB 4.32Å; M203-R208 HydrophobicContact CB-CG 3.74Å; M203-R208 PolarHBondContact O-NH1 2.97Å; M203-L211 HydrophobicContact SD-CD2 4.24Å
204P93.1Very high94.8Very high67 Ų6772.4 Ų72.444%0.43536%0.364SS..PPolyproline II helixtrans-66.9160.2172.130.2-35.3000110.7E206 E207 R208P204-E206 PolarHBondContact O-N 3.46Å; P204-E206 VanDerWaalsContact O-N 3.11Å; P204-E207 HydrophobicContact CG-CB 4.17Å; P204-E207 HydrophobicContact CG-CG 3.89Å; P204-E207 PolarHBondContact O-N 2.9Å; P204-R208 WeakPolarHBondContact O-CG 3.42Å; P204-R208 PolarHBondContact O-N 2.98Å; P204-R208 VanDerWaalsContact O-N 3.07Å
205K91.3Very high94.9Very high65 Ų6568.3 Ų68.328%0.28335%0.345SS..Hα-helixtrans-49.9-40.3-177.2-165.8175.7-168.4138.50113.6D34 P183 R208 Q209D34-K205 IonicContact OD1-NZ 2.85Å; D34-K205 PolarHBondContact OD1-NZ 3.12Å; D34-K205 IonicContact OD2-NZ 2.66Å; D34-K205 PolarHBondContact OD2-NZ 2.71Å; P183-K205 HydrophobicContact CB-CG 3.85Å; P183-K205 HydrophobicContact CG-CG 4.23Å; K205-R208 PolarHBondContact O-N 3.34Å; K205-Q209 WeakPolarHBondContact O-CB 3.33Å; K205-Q209 PolarHBondContact O-N 3.4Å
206E94.3Very high95.1Very high147 Ų14764.9 Ų64.969%0.68732%0.324SS*.Hα-helixtrans-63-41.2178.6-62.1-175.5179.200113.1P204 Q209 K210P204-E206 PolarHBondContact O-N 3.46Å; P204-E206 VanDerWaalsContact O-N 3.11Å; E206-Q209 PolarHBondContact O-N 3.01Å; E206-K210 WeakPolarHBondContact O-CG 3.4Å; E206-K210 PolarHBondContact O-N 3.39Å; E206-K210 VanDerWaalsContact O-N 3.07Å
207E95.1Very high95.5Very high98 Ų9863.6 Ų63.646%0.45831%0.312SS..Hα-helixtrans-72.3-38.5178-72-178.9-169.500111.3M203 P204 Q209 K210 L211M203-E207 HydrophobicContact CB-CB 4.32Å; P204-E207 HydrophobicContact CG-CB 4.17Å; P204-E207 HydrophobicContact CG-CG 3.89Å; P204-E207 PolarHBondContact O-N 2.9Å; E207-Q209 VanDerWaalsContact C-N 3.29Å; E207-Q209 PolarHBondContact O-N 2.92Å; E207-K210 PolarHBondContact O-N 3.16Å; E207-L211 WeakPolarHBondContact O-CB 3.47Å; E207-L211 PolarHBondContact O-N 3.22Å
208R95Very high95.5Very high9 Ų963 Ų633%0.03430%0.3CS..Hα-helixtrans-60.2-41.2172.6-59.2-167.8-53.5-128.515.8111.2P183 V186 M203 P204 K205 L211 I212P183-R208 HydrophobicContact CB-CB 4.21Å; P183-R208 VanDerWaalsContact O-CZ 3.27Å; P183-R208 PolarHBondContact O-NE 3.29Å; P183-R208 PolarHBondContact O-NH2 3.39Å; V186-R208 HydrophobicContact CG2-CB 4.18Å; V186-R208 WeakPolarHBondContact O-CD 3.31Å; V186-R208 PolarHBondContact O-NE 3.41Å; M203-R208 HydrophobicContact CB-CG 3.74Å; M203-R208 PolarHBondContact O-NH1 2.97Å; P204-R208 WeakPolarHBondContact O-CG 3.42Å; P204-R208 PolarHBondContact O-N 2.98Å; P204-R208 VanDerWaalsContact O-N 3.07Å; K205-R208 PolarHBondContact O-N 3.34Å; R208-L211 PolarHBondContact O-N 3.03Å; R208-I212 VanDerWaalsContact O-CG1 3.27Å; R208-I212 WeakPolarHBondContact O-CG1 3.38Å; R208-I212 PolarHBondContact O-N 3.39Å
209Q96Very high95.3Very high81 Ų8163.9 Ų63.938%0.37930%0.303SS..Hα-helixtrans-63.5-43.4175.6-17758.671.500112.3P183 K205 E206 E207 L211 I212 T213P183-Q209 HydrophobicContact CB-CB 4.21Å; P183-Q209 VanDerWaalsContact CD-OE1 3.28Å; P183-Q209 HydrophobicContact CG-CB 4.36Å; K205-Q209 WeakPolarHBondContact O-CB 3.33Å; K205-Q209 PolarHBondContact O-N 3.4Å; E206-Q209 PolarHBondContact O-N 3.01Å; E207-Q209 VanDerWaalsContact C-N 3.29Å; E207-Q209 PolarHBondContact O-N 2.92Å; Q209-L211 VanDerWaalsContact C-N 3.31Å; Q209-L211 PolarHBondContact O-N 2.86Å; Q209-I212 PolarHBondContact O-N 2.93Å; Q209-T213 PolarHBondContact NE2-OG1 3.11Å; Q209-T213 PolarHBondContact O-N 2.98Å; Q209-T213 PolarHBondContact O-OG1 3.43Å
210K97.1Very high95.1Very high142 Ų14262.7 Ų62.762%0.61731%0.305SS*.Hα-helixtrans-60.4-42.9174.9-71.3170.7-172.9168.60111.4E206 E207 T213 E214E206-K210 WeakPolarHBondContact O-CG 3.4Å; E206-K210 PolarHBondContact O-N 3.39Å; E206-K210 VanDerWaalsContact O-N 3.07Å; E207-K210 PolarHBondContact O-N 3.16Å; K210-T213 PolarHBondContact O-N 2.99Å; K210-E214 PolarHBondContact O-N 2.81Å
211L96.4Very high94.9Very high24 Ų2465.8 Ų65.813%0.12632%0.319CS..Hα-helixtrans-65.7-40.3179.5-168.668.5000112L166 M167 M170 I188 M203 E207 R208 Q209 E214 H215L166-L211 HydrophobicContact CB-CD1 4.41Å; L166-L211 HydrophobicContact CD2-CD2 4.38Å; M167-L211 HydrophobicContact SD-CD1 3.97Å; M170-L211 HydrophobicContact CG-CD2 3.69Å; M170-L211 HydrophobicContact CG-CG 3.84Å; M170-L211 HydrophobicContact SD-CD2 3.75Å; M170-L211 HydrophobicContact SD-CG 4.24Å; I188-L211 HydrophobicContact CD1-CD2 3.43Å; I188-L211 VanDerWaalsContact CD1-CD2 3.43Å; M203-L211 HydrophobicContact SD-CD2 4.24Å; E207-L211 WeakPolarHBondContact O-CB 3.47Å; E207-L211 PolarHBondContact O-N 3.22Å; R208-L211 PolarHBondContact O-N 3.03Å; Q209-L211 VanDerWaalsContact C-N 3.31Å; Q209-L211 PolarHBondContact O-N 2.86Å; L211-E214 PolarHBondContact O-N 3.2Å; L211-H215 WeakPolarHBondContact O-CB 3.44Å; L211-H215 PolarHBondContact O-N 3.13Å
212I96.9Very high94.6Very high3 Ų364.9 Ų64.92%0.01531%0.311CS..Hα-helixtrans-60.1-47.1173-69.4163.1000110.6M170 L181 A182 P183 V186 R208 Q209 E214 H215 E216M170-I212 HydrophobicContact CE-CB 4.32Å; M170-I212 HydrophobicContact CE-CG1 3.42Å; M170-I212 VanDerWaalsContact CE-CG1 3.42Å; L181-I212 HydrophobicContact CB-CD1 4.33Å; L181-I212 HydrophobicContact CB-CG1 4.2Å; L181-I212 HydrophobicContact CB-CG2 4.36Å; A182-I212 VanDerWaalsContact C-CD1 3.42Å; P183-I212 HydrophobicContact CB-CD1 4.28Å; V186-I212 HydrophobicContact CG2-CD1 4.12Å; R208-I212 VanDerWaalsContact O-CG1 3.27Å; R208-I212 WeakPolarHBondContact O-CG1 3.38Å; R208-I212 PolarHBondContact O-N 3.39Å; Q209-I212 PolarHBondContact O-N 2.93Å; I212-E214 VanDerWaalsContact C-N 3.35Å; I212-E214 PolarHBondContact O-N 3.26Å; I212-H215 WeakPolarHBondContact O-CB 3.48Å; I212-H215 PolarHBondContact O-N 3.05Å; I212-E216 HydrophobicContact CG2-CG 4.45Å; I212-E216 WeakPolarHBondContact O-CG 3.49Å; I212-E216 PolarHBondContact O-N 2.96Å
213T97.5Very high94.4Very high75 Ų7567 Ų6746%0.4632%0.32SS..Hα-helixtrans-63.9-39.8179.8-60.70000112.4Q209 K210 H215 K217Q209-T213 PolarHBondContact NE2-OG1 3.11Å; Q209-T213 PolarHBondContact O-N 2.98Å; Q209-T213 PolarHBondContact O-OG1 3.43Å; K210-T213 PolarHBondContact O-N 2.99Å; T213-H215 VanDerWaalsContact C-N 3.35Å; T213-K217 WeakPolarHBondContact O-CB 3.45Å; T213-K217 PolarHBondContact O-N 3.15Å; T213-K217 VanDerWaalsContact O-N 3.12Å
214E96.6Very high94.3Very high60 Ų6072 Ų7228%0.2834%0.341SS..Hα-helixtrans-65.6-39.1174.4-179.561.3-166.900111.5M167 K210 L211 I212 K217 R218M167-E214 HydrophobicContact CE-CG 4.37Å; M167-E214 HydrophobicContact SD-CG 4.3Å; K210-E214 PolarHBondContact O-N 2.81Å; L211-E214 PolarHBondContact O-N 3.2Å; I212-E214 VanDerWaalsContact C-N 3.35Å; I212-E214 PolarHBondContact O-N 3.26Å; E214-K217 PolarHBondContact O-N 3.46Å; E214-R218 WeakPolarHBondContact O-CG 3.48Å; E214-R218 PolarHBondContact O-N 3.36Å; E214-R218 IonicContact OE1-CZ 3.98Å; E214-R218 IonicContact OE1-NE 3.97Å; E214-R218 PolarHBondContact OE1-NE 2.9Å; E214-R218 IonicContact OE1-NH2 3.24Å; E214-R218 PolarHBondContact OE1-NH2 3.37Å
215H95.9Very high94.2Very high4 Ų473.9 Ų73.92%0.01934%0.344CS..Hα-helixtrans-60-51174179.563.4000112.8M167 M170 M171 E174 L211 I212 T213 K217 R218 E219M167-H215 HydrophobicContact CE-CB 3.66Å; M170-H215 HydrophobicContact CB-CB 4.08Å; M171-H215 VanDerWaalsContact CA-CE1 3.42Å; M171-H215 WeakPolarHBondContact CA-CE1 3.31Å; M171-H215 PolarHBondContact N-CE1 3.31Å; E174-H215 IonicContact OE2-CD2 3.64Å; E174-H215 IonicContact OE2-CE1 3.94Å; E174-H215 IonicContact OE2-NE2 3.74Å; E174-H215 PolarHBondContact OE2-NE2 3.14Å; L211-H215 WeakPolarHBondContact O-CB 3.44Å; L211-H215 PolarHBondContact O-N 3.13Å; I212-H215 WeakPolarHBondContact O-CB 3.48Å; I212-H215 PolarHBondContact O-N 3.05Å; T213-H215 VanDerWaalsContact C-N 3.35Å; H215-K217 PolarHBondContact O-N 3.01Å; H215-R218 PolarHBondContact O-N 2.98Å; H215-R218 VanDerWaalsContact O-N 3.14Å; H215-E219 PolarHBondContact O-N 3.27Å
216E95.1Very high94.2Very high86 Ų8675.7 Ų75.740%0.40235%0.353SS..Hα-helixtrans-58.1-38.6177.2-70.7-179.5148.600111.9I212 A220I212-E216 HydrophobicContact CG2-CG 4.45Å; I212-E216 WeakPolarHBondContact O-CG 3.49Å; I212-E216 PolarHBondContact O-N 2.96Å; E216-A220 WeakPolarHBondContact O-CB 3.27Å; E216-A220 PolarHBondContact O-N 3.36Å; E216-A220 VanDerWaalsContact O-N 3.07Å
217K95.9Very high94Very high112 Ų11274.4 Ų74.449%0.48735%0.346SS..Hα-helixtrans-65.4-46.2176.4-178.8-173.9167.9-158.10111.8T213 E214 H215 A220 E221T213-K217 WeakPolarHBondContact O-CB 3.45Å; T213-K217 PolarHBondContact O-N 3.15Å; T213-K217 VanDerWaalsContact O-N 3.12Å; E214-K217 PolarHBondContact O-N 3.46Å; H215-K217 PolarHBondContact O-N 3.01Å; K217-A220 PolarHBondContact O-N 3.27Å; K217-E221 VanDerWaalsContact CE-OE1 3.27Å; K217-E221 WeakPolarHBondContact CE-OE1 3.34Å; K217-E221 WeakPolarHBondContact O-CG 3.4Å; K217-E221 PolarHBondContact O-N 3.07Å
218R93.6Very high93.7Very high77 Ų7778.1 Ų78.129%0.29136%0.356SS..Hα-helixtrans-65.8-41-179.7-71.5-169.5-167.1-166.83.9112.2E163 M167 E214 H215 E221 R222E163-R218 IonicContact OE1-CZ 3.36Å; E163-R218 IonicContact OE1-NH1 2.81Å; E163-R218 IonicContact OE1-NH2 2.99Å; E163-R218 PolarHBondContact OE1-NH2 2.99Å; M167-R218 HydrophobicContact CE-CB 4.49Å; M167-R218 HydrophobicContact CE-CG 4.36Å; E214-R218 WeakPolarHBondContact O-CG 3.48Å; E214-R218 PolarHBondContact O-N 3.36Å; E214-R218 IonicContact OE1-CZ 3.98Å; E214-R218 IonicContact OE1-NE 3.97Å; E214-R218 PolarHBondContact OE1-NE 2.9Å; E214-R218 IonicContact OE1-NH2 3.24Å; E214-R218 PolarHBondContact OE1-NH2 3.37Å; H215-R218 PolarHBondContact O-N 2.98Å; H215-R218 VanDerWaalsContact O-N 3.14Å; R218-E221 PolarHBondContact O-N 2.87Å; R218-R222 WeakPolarHBondContact O-CB 3.45Å; R218-R222 PolarHBondContact O-N 3.26Å
219E90.8Very high93.4Very high34 Ų3484.4 Ų84.416%0.15938%0.383CS..Hα-helixtrans-65.4-41175.4-73.9-65.787.100111.1R175 H215 E221 R222 E223R175-E219 IonicContact NH2-OE2 3.05Å; R175-E219 PolarHBondContact NH2-OE2 3.19Å; H215-E219 PolarHBondContact O-N 3.27Å; E219-E221 VanDerWaalsContact C-N 3.29Å; E219-E221 PolarHBondContact O-N 3.24Å; E219-R222 WeakPolarHBondContact O-CB 3.43Å; E219-R222 PolarHBondContact O-N 3.27Å; E219-R222 WeakPolarHBondContact OE1-CD 3.5Å; E219-R222 IonicContact OE1-NH1 3.86Å; E219-E223 WeakPolarHBondContact O-CG 3.49Å; E219-E223 PolarHBondContact O-N 3.13Å
220A93.5Very high92.9Very high39 Ų3983.7 Ų83.732%0.32239%0.391SS..Hα-helixtrans-63-33.5174.900000113.1E216 K217 K224E216-A220 WeakPolarHBondContact O-CB 3.27Å; E216-A220 PolarHBondContact O-N 3.36Å; E216-A220 VanDerWaalsContact O-N 3.07Å; K217-A220 PolarHBondContact O-N 3.27Å; A220-K224 WeakPolarHBondContact O-CD 3.35Å; A220-K224 VanDerWaalsContact O-CG 3.23Å; A220-K224 WeakPolarHBondContact O-CG 3.44Å; A220-K224 PolarHBondContact O-N 3.29Å
221E93.9Very high92.5Very high87 Ų8784.5 Ų84.541%0.40740%0.397SS..Hα-helixtrans-71.7-42.2173.3-73.3176-173.200112K217 R218 E219 K224 Q225K217-E221 VanDerWaalsContact CE-OE1 3.27Å; K217-E221 WeakPolarHBondContact CE-OE1 3.34Å; K217-E221 WeakPolarHBondContact O-CG 3.4Å; K217-E221 PolarHBondContact O-N 3.07Å; R218-E221 PolarHBondContact O-N 2.87Å; E219-E221 VanDerWaalsContact C-N 3.29Å; E219-E221 PolarHBondContact O-N 3.24Å; E221-K224 PolarHBondContact O-N 3.05Å; E221-Q225 WeakPolarHBondContact O-CG 3.23Å; E221-Q225 PolarHBondContact O-N 3.2Å
222R90Very high91.8Very high73 Ų7387.2 Ų87.228%0.27542%0.423SS..Hα-helixtrans-58.2-49.6175.2-176-177.2-179.4165.811.3111.1E154 M171 R218 E219 K224 Q225 E226E154-R222 IonicContact OE1-CZ 2.72Å; E154-R222 IonicContact OE1-NH1 2.72Å; E154-R222 IonicContact OE1-NH2 3.03Å; E154-R222 PolarHBondContact OE1-NH2 3.36Å; M171-R222 PolarHBondContact SD-NH1 2.9Å; R218-R222 WeakPolarHBondContact O-CB 3.45Å; R218-R222 PolarHBondContact O-N 3.26Å; E219-R222 WeakPolarHBondContact O-CB 3.43Å; E219-R222 PolarHBondContact O-N 3.27Å; E219-R222 WeakPolarHBondContact OE1-CD 3.5Å; E219-R222 IonicContact OE1-NH1 3.86Å; R222-K224 VanDerWaalsContact C-N 3.32Å; R222-K224 PolarHBondContact O-N 2.98Å; R222-Q225 WeakPolarHBondContact O-CB 3.45Å; R222-Q225 PolarHBondContact O-N 3.33Å; R222-Q225 VanDerWaalsContact O-N 3.13Å; R222-E226 IonicContact NE-OE1 3.7Å; R222-E226 PolarHBondContact NE-OE1 2.91Å; R222-E226 WeakPolarHBondContact O-CG 3.41Å; R222-E226 PolarHBondContact O-N 3.28Å
223E90.6Very high90.5Very high103 Ų10394.9 Ų94.948%0.48146%0.456SS..Hα-helixtrans-60.1-40.5177.4-73.3-174.8-174.100112.7E219 Q225 E226 K227E219-E223 WeakPolarHBondContact O-CG 3.49Å; E219-E223 PolarHBondContact O-N 3.13Å; E223-Q225 VanDerWaalsContact C-N 3.34Å; E223-E226 PolarHBondContact O-N 2.92Å; E223-K227 WeakPolarHBondContact O-CB 3.45Å; E223-K227 VanDerWaalsContact O-CG 3.29Å; E223-K227 WeakPolarHBondContact O-CG 3.3Å; E223-K227 PolarHBondContact O-N 3.4Å; E223-K227 IonicContact OE2-NZ 2.71Å
224K93Very high88.7Confident125 Ų125100.8 Ų100.854%0.54350%0.495SS..Hα-helixtrans-64.5-39.6176.4-75.6170-172171.20111.4A220 E221 R222 R228A220-K224 WeakPolarHBondContact O-CD 3.35Å; A220-K224 VanDerWaalsContact O-CG 3.23Å; A220-K224 WeakPolarHBondContact O-CG 3.44Å; A220-K224 PolarHBondContact O-N 3.29Å; E221-K224 PolarHBondContact O-N 3.05Å; R222-K224 VanDerWaalsContact C-N 3.32Å; R222-K224 PolarHBondContact O-N 2.98Å; K224-R228 WeakPolarHBondContact O-CB 3.42Å; K224-R228 VanDerWaalsContact O-CG 3.25Å; K224-R228 WeakPolarHBondContact O-CG 3.41Å; K224-R228 PolarHBondContact O-N 2.93Å
225Q90.8Very high88.3Confident108 Ų108102.8 Ų102.851%0.50551%0.506SS..Hα-helixtrans-67.8-40.6176.7-70.3179.518.100111.7E221 R222 E223 R228 K229E221-Q225 WeakPolarHBondContact O-CG 3.23Å; E221-Q225 PolarHBondContact O-N 3.2Å; R222-Q225 WeakPolarHBondContact O-CB 3.45Å; R222-Q225 PolarHBondContact O-N 3.33Å; R222-Q225 VanDerWaalsContact O-N 3.13Å; E223-Q225 VanDerWaalsContact C-N 3.34Å; Q225-R228 PolarHBondContact O-N 3.29Å; Q225-K229 WeakPolarHBondContact O-CB 3.29Å; Q225-K229 VanDerWaalsContact O-CG 3.3Å; Q225-K229 WeakPolarHBondContact O-CG 3.44Å; Q225-K229 PolarHBondContact O-N 3.44Å
226E90.1Very high87.9Confident102 Ų102108 Ų10848%0.47753%0.532SS..Hα-helixtrans-64.7-43176.5-72.1175.6-178.400111.6R222 E223 K229 A230R222-E226 IonicContact NE-OE1 3.7Å; R222-E226 PolarHBondContact NE-OE1 2.91Å; R222-E226 WeakPolarHBondContact O-CG 3.41Å; R222-E226 PolarHBondContact O-N 3.28Å; E223-E226 PolarHBondContact O-N 2.92Å; E226-K229 PolarHBondContact O-N 2.9Å; E226-A230 WeakPolarHBondContact O-CB 3.25Å; E226-A230 PolarHBondContact O-N 3.01Å
227K90.1Very high87.5Confident121 Ų121109.2 Ų109.253%0.52654%0.539SS..Hα-helixtrans-60.8-47.2173.6-73.1170.4-174.5167.10112E223 K229 A230 E231E223-K227 WeakPolarHBondContact O-CB 3.45Å; E223-K227 VanDerWaalsContact O-CG 3.29Å; E223-K227 WeakPolarHBondContact O-CG 3.3Å; E223-K227 PolarHBondContact O-N 3.4Å; E223-K227 IonicContact OE2-NZ 2.71Å; K227-K229 VanDerWaalsContact C-N 3.32Å; K227-K229 PolarHBondContact O-N 3.04Å; K227-A230 PolarHBondContact O-N 2.93Å; K227-A230 VanDerWaalsContact O-N 3.14Å; K227-E231 WeakPolarHBondContact O-CG 3.29Å; K227-E231 PolarHBondContact O-N 3.14Å
228R90.2Very high87Confident176 Ų176109.1 Ų109.166%0.66454%0.542SS*.Hα-helixtrans-60.4-39.8175.8-74.5173.8-179.7-1730.5112.6K224 Q225 A232K224-R228 WeakPolarHBondContact O-CB 3.42Å; K224-R228 VanDerWaalsContact O-CG 3.25Å; K224-R228 WeakPolarHBondContact O-CG 3.41Å; K224-R228 PolarHBondContact O-N 2.93Å; Q225-R228 PolarHBondContact O-N 3.29Å; R228-A232 VanDerWaalsContact O-CB 3.29Å; R228-A232 WeakPolarHBondContact O-CB 3.45Å; R228-A232 PolarHBondContact O-N 3.38Å
229K86.8Confident86.6Confident141 Ų141111.1 Ų111.161%0.61356%0.558SS**Hα-helixtrans-68.7-33.8176-76.2172.3178.1173.10112.2Q225 E226 K227 K233Q225-K229 WeakPolarHBondContact O-CB 3.29Å; Q225-K229 VanDerWaalsContact O-CG 3.3Å; Q225-K229 WeakPolarHBondContact O-CG 3.44Å; Q225-K229 PolarHBondContact O-N 3.44Å; E226-K229 PolarHBondContact O-N 2.9Å; K227-K229 VanDerWaalsContact C-N 3.32Å; K227-K229 PolarHBondContact O-N 3.04Å; K229-K233 PolarHBondContact O-N 3.44Å
230A87.4Confident86.3Confident65 Ų65116.2 Ų116.254%0.53758%0.584SS.*Hα-helixtrans-70.5-41.1175.700000111.9E226 K227 A232 K233E226-A230 WeakPolarHBondContact O-CB 3.25Å; E226-A230 PolarHBondContact O-N 3.01Å; K227-A230 PolarHBondContact O-N 2.93Å; K227-A230 VanDerWaalsContact O-N 3.14Å; A230-A232 VanDerWaalsContact C-N 3.35Å; A230-K233 PolarHBondContact O-N 3.42Å
231E87Confident85.8Confident159 Ų159121.7 Ų121.774%0.74360%0.603SS**Hα-helixtrans-70.9-27.5176.8-70170.7-179.300113.2K227K227-E231 WeakPolarHBondContact O-CG 3.29Å; K227-E231 PolarHBondContact O-N 3.14Å
232A81.7Confident85.2Confident81 Ų81124.4 Ų124.467%0.66962%0.618SS**THydrogen-bonded Turntrans-83.6-8177.300000114R228 A230R228-A232 VanDerWaalsContact O-CB 3.29Å; R228-A232 WeakPolarHBondContact O-CB 3.45Å; R228-A232 PolarHBondContact O-N 3.38Å; A230-A232 VanDerWaalsContact C-N 3.35Å
233K70.4Confident84.8Confident165 Ų165128.7 Ų128.772%0.71765%0.647SS**  trans-76122.2171.9-81.5178179.1-179.50108.4K229 A230K229-K233 PolarHBondContact O-N 3.44Å; A230-K233 PolarHBondContact O-N 3.42Å
234P59.3Low84.2Confident198 Ų198131 Ų131100%1.28666%0.662SS**  trans-65.60-178.528.5-35.1000113.3

Retrieved 234 of 234 residues in 121.7 ms (Link to these results)

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