A0A077ZJL9_TRITR Loading...

DUF218 domain containing protein

AlphaFold DB (P34209), UniProt , Accession A0A077ZJL9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 266 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
1M41.3Very low81.3Confident228 Ų22888.4 Ų88.4100%1.12350%0.5SS*.  0127.70-78.8175-157.600107.4I3M1-I3 PolarHBondContact O-N 3.42Å
2N45.7Very low82.7Confident169 Ų16985.8 Ų85.890%0.90450%0.499SS*.  trans-66.6100.3167.3-87.8-0.7000107.1T4N2-T4 PolarHBondContact O-N 3.06Å; N2-T4 VanDerWaalsContact O-N 3.09Å
3I65Low83.8Confident144 Ų14479.5 Ų79.574%0.73846%0.462SS*.  trans-67.6109.4174.5-59.2173.5000105.4M1 P5M1-I3 PolarHBondContact O-N 3.42Å; I3-P5 WeakPolarHBondContact O-CD 3.38Å
4T79.3Confident84.9Confident75 Ų7574.6 Ų74.646%0.4643%0.433SS..PPolyproline II helixtrans-59.6122.6175.8-48.40000107.7N2 R263N2-T4 PolarHBondContact O-N 3.06Å; N2-T4 VanDerWaalsContact O-N 3.09Å; T4-R263 PolarHBondContact O-NH2 3.27Å
5P88Confident85.8Confident80 Ų8076.3 Ų76.352%0.51944%0.44SS..PPolyproline II helixtrans-55.2150.6-179.215.1-24.3000111I3 R263I3-P5 WeakPolarHBondContact O-CD 3.38Å; P5-R263 PolarHBondContact O-NH2 3.07Å
6F93.1Very high86.6Confident12 Ų1271.8 Ų71.85%0.05342%0.415CS..PPolyproline II helixtrans-67.7127.1175.1-159.3-82.1000108.1L9 S192 V193 V205 E206 L209 L256 A259F6-L9 HydrophobicContact CE1-CD1 4.02Å; F6-L9 HydrophobicContact CE1-CD2 4.21Å; F6-L9 HydrophobicContact CE1-CG 4.2Å; F6-S192 CarbonylContact O-C 3.55Å; F6-S192 WeakPolarHBondContact O-CA 3.45Å; F6-S192 WeakPolarHBondContact O-CB 3.27Å; F6-V193 HydrophobicContact CB-CB 4.46Å; F6-V193 HydrophobicContact CD1-CB 4.1Å; F6-V193 HydrophobicContact CD1-CG2 4.11Å; F6-V193 PolarHBondContact O-N 2.96Å; F6-V205 HydrophobicContact CB-CB 4.32Å; F6-V205 HydrophobicContact CB-CG1 3.92Å; F6-V205 HydrophobicContact CD1-CG1 4.3Å; F6-V205 HydrophobicContact CD2-CG1 4.23Å; F6-V205 HydrophobicContact CG-CG1 3.87Å; F6-E206 HydrophobicContact CD2-CB 4.26Å; F6-L209 HydrophobicContact CD1-CD1 4.21Å; F6-L209 HydrophobicContact CD2-CD1 4.22Å; F6-L209 HydrophobicContact CE1-CD1 3.7Å; F6-L209 HydrophobicContact CE2-CD1 3.69Å; F6-L209 HydrophobicContact CG-CD1 4.47Å; F6-L209 HydrophobicContact CZ-CD1 3.41Å; F6-L209 VanDerWaalsContact CZ-CD1 3.41Å; F6-L256 HydrophobicContact CE1-CD1 4.34Å; F6-L256 HydrophobicContact CZ-CD1 3.94Å; F6-A259 HydrophobicContact CE1-CB 4Å; F6-A259 HydrophobicContact CE2-CB 3.91Å; F6-A259 HydrophobicContact CZ-CB 3.5Å; F6-A259 VanDerWaalsContact CZ-CB 3.5Å
7P94.6Very high87.3Confident46 Ų4667.6 Ų67.630%0.29939%0.39SS..PPolyproline II helixtrans-61.7154.7-175.227.8-36000111V193 V255 A259P7-V193 VanDerWaalsContact O-CG2 3.28Å; P7-V193 WeakPolarHBondContact O-CG2 3.33Å; P7-V255 HydrophobicContact CG-CG1 4.23Å; P7-A259 HydrophobicContact CG-CB 3.81Å
8T96.7Very high87.9Confident61 Ų6165.8 Ų65.837%0.37438%0.379SS..PPolyproline II helixtrans-57.6146.2172.250.80000111.2N188 S192T8-N188 WeakPolarHBondContact CA-OD1 3.38Å; T8-N188 WeakPolarHBondContact CB-OD1 3.48Å; T8-N188 HydrophobicContact CG2-CB 4.18Å; T8-S192 VanDerWaalsContact CG2-N 3.32Å
9L96.9Very high88.5Confident9 Ų965 Ų655%0.04738%0.375CS..  trans-113.2164176.7-65.6175.3000110.6F6 T13 I14 I17 N188 V193 V255 L256F6-L9 HydrophobicContact CE1-CD1 4.02Å; F6-L9 HydrophobicContact CE1-CD2 4.21Å; F6-L9 HydrophobicContact CE1-CG 4.2Å; L9-T13 HydrophobicContact CB-CG2 4.22Å; L9-T13 HydrophobicContact CD1-CG2 3.96Å; L9-T13 HydrophobicContact CG-CG2 4.49Å; L9-I14 HydrophobicContact CB-CD1 4.07Å; L9-I14 HydrophobicContact CB-CG1 4.21Å; L9-I14 HydrophobicContact CD1-CD1 4.34Å; L9-I17 HydrophobicContact CD1-CD1 3.68Å; L9-N188 PolarHBondContact N-OD1 3.05Å; L9-N188 VanDerWaalsContact N-OD1 3.07Å; L9-N188 PolarHBondContact O-ND2 3.07Å; L9-V193 HydrophobicContact CB-CG2 4.23Å; L9-V193 HydrophobicContact CD1-CG2 4.05Å; L9-V193 HydrophobicContact CG-CG2 3.84Å; L9-V255 HydrophobicContact CD2-CB 4.25Å; L9-V255 HydrophobicContact CD2-CG1 3.98Å; L9-L256 HydrophobicContact CD1-CD1 4.16Å; L9-L256 HydrophobicContact CD2-CB 3.99Å
10S96.5Very high89Confident51 Ų5161.8 Ų61.836%0.35736%0.357SS..  trans-61.6151.4174.189.30000111A12 T13 I14S10-A12 PolarHBondContact O-N 3.2Å; S10-A12 PolarHBondContact OG-N 3.36Å; S10-T13 WeakPolarHBondContact O-CB 3.44Å; S10-T13 PolarHBondContact O-N 3.39Å; S10-T13 PolarHBondContact OG-N 3.48Å; S10-T13 VanDerWaalsContact OG-N 3.13Å; S10-T13 PolarHBondContact OG-OG1 2.93Å; S10-I14 PolarHBondContact O-N 3.12Å
11P96.9Very high89.5Confident97 Ų9759 Ų5963%0.6334%0.341SS*.Hα-helixtrans-53.9-41.5174.2-27.435.5000112.9T13 I14 D15P11-T13 VanDerWaalsContact C-N 3.27Å; P11-T13 PolarHBondContact O-N 3.19Å; P11-I14 PolarHBondContact O-N 3.32Å; P11-D15 VanDerWaalsContact O-CG 3.29Å; P11-D15 PolarHBondContact O-N 3.05Å
12A97.9Very high92.2Very high58 Ų5852.8 Ų52.848%0.47931%0.309SS..Hα-helixtrans-61.9-34.9177.900000112.7S10 A16S10-A12 PolarHBondContact O-N 3.2Å; S10-A12 PolarHBondContact OG-N 3.36Å; A12-A16 VanDerWaalsContact O-CB 3.28Å; A12-A16 WeakPolarHBondContact O-CB 3.17Å; A12-A16 PolarHBondContact O-N 2.94Å
13T98.1Very high94.7Very high3 Ų345.7 Ų45.72%0.01827%0.27CS..Hα-helixtrans-73.2-41.4177.9-51.90000111.1L9 S10 P11 A16 I17 L250 D253 L256L9-T13 HydrophobicContact CB-CG2 4.22Å; L9-T13 HydrophobicContact CD1-CG2 3.96Å; L9-T13 HydrophobicContact CG-CG2 4.49Å; S10-T13 WeakPolarHBondContact O-CB 3.44Å; S10-T13 PolarHBondContact O-N 3.39Å; S10-T13 PolarHBondContact OG-N 3.48Å; S10-T13 VanDerWaalsContact OG-N 3.13Å; S10-T13 PolarHBondContact OG-OG1 2.93Å; P11-T13 VanDerWaalsContact C-N 3.27Å; P11-T13 PolarHBondContact O-N 3.19Å; T13-A16 PolarHBondContact O-N 3.05Å; T13-I17 HydrophobicContact CG2-CD1 4.17Å; T13-I17 WeakPolarHBondContact O-CD1 3.07Å; T13-I17 VanDerWaalsContact O-CG1 3.26Å; T13-I17 WeakPolarHBondContact O-CG1 3.42Å; T13-I17 PolarHBondContact O-N 2.69Å; T13-L250 HydrophobicContact CG2-CD2 3.82Å; T13-D253 WeakPolarHBondContact CB-OD2 3.28Å; T13-D253 HydrophobicContact CG2-CB 4.12Å; T13-D253 WeakPolarHBondContact CG2-OD2 3.42Å; T13-D253 PolarHBondContact OG1-OD2 3.07Å; T13-L256 HydrophobicContact CG2-CD2 4.08Å
14I98.4Very high96.3Very high12 Ų1238.9 Ų38.96%0.06224%0.235CC..Hα-helixtrans-60.1-47.6172.7-67.5-62.2000110.9L9 S10 P11 A16 I17 N18 L186 V193L9-I14 HydrophobicContact CB-CD1 4.07Å; L9-I14 HydrophobicContact CB-CG1 4.21Å; L9-I14 HydrophobicContact CD1-CD1 4.34Å; S10-I14 PolarHBondContact O-N 3.12Å; P11-I14 PolarHBondContact O-N 3.32Å; I14-A16 VanDerWaalsContact C-N 3.32Å; I14-A16 PolarHBondContact O-N 3.45Å; I14-I17 PolarHBondContact O-N 2.94Å; I14-N18 PolarHBondContact O-N 3.38Å; I14-N18 PolarHBondContact O-ND2 2.65Å; I14-L186 HydrophobicContact CD1-CB 4.46Å; I14-L186 WeakPolarHBondContact CG2-O 3.18Å; I14-V193 HydrophobicContact CD1-CG1 4.19Å; I14-V193 HydrophobicContact CD1-CG2 3.95Å
15D98.5Very high97.1Very high99 Ų9935.3 Ų35.353%0.52921%0.213SC..Hα-helixtrans-60.7-43.8178-69.5-19.2000111P11 I17 N18 V19P11-D15 VanDerWaalsContact O-CG 3.29Å; P11-D15 PolarHBondContact O-N 3.05Å; D15-I17 PolarHBondContact O-N 3.46Å; D15-N18 PolarHBondContact O-N 2.72Å; D15-V19 WeakPolarHBondContact O-CG2 3.47Å; D15-V19 PolarHBondContact O-N 2.64Å
16A98.7Very high97.6Very high5 Ų532.2 Ų32.24%0.04119%0.192CC..Hα-helixtrans-60.9-43.6175.700000112.7A12 T13 I14 N18 V19 I20 A246 T249 L250A12-A16 VanDerWaalsContact O-CB 3.28Å; A12-A16 WeakPolarHBondContact O-CB 3.17Å; A12-A16 PolarHBondContact O-N 2.94Å; T13-A16 PolarHBondContact O-N 3.05Å; I14-A16 VanDerWaalsContact C-N 3.32Å; I14-A16 PolarHBondContact O-N 3.45Å; A16-N18 VanDerWaalsContact C-N 3.33Å; A16-N18 PolarHBondContact O-N 3.31Å; A16-V19 PolarHBondContact O-N 3.44Å; A16-I20 WeakPolarHBondContact O-CD1 3.47Å; A16-I20 WeakPolarHBondContact O-CG1 3.07Å; A16-I20 PolarHBondContact O-N 3.15Å; A16-I20 VanDerWaalsContact O-N 3.09Å; A16-A246 HydrophobicContact CB-CB 3.77Å; A16-T249 HydrophobicContact CB-CG2 4.01Å; A16-L250 HydrophobicContact CB-CD2 3.72Å; A16-L250 HydrophobicContact CB-CG 4.35Å
17I98.7Very high97.8Very high0 Ų033.2 Ų33.20%020%0.198CC..Hα-helixtrans-59-46.8174.7-69.5156.6000110.2L9 T13 I14 D15 I20 G21 L186 Y208 L209 L212 L250L9-I17 HydrophobicContact CD1-CD1 3.68Å; T13-I17 HydrophobicContact CG2-CD1 4.17Å; T13-I17 WeakPolarHBondContact O-CD1 3.07Å; T13-I17 VanDerWaalsContact O-CG1 3.26Å; T13-I17 WeakPolarHBondContact O-CG1 3.42Å; T13-I17 PolarHBondContact O-N 2.69Å; I14-I17 PolarHBondContact O-N 2.94Å; D15-I17 PolarHBondContact O-N 3.46Å; I17-I20 PolarHBondContact O-N 2.78Å; I17-G21 PolarHBondContact O-N 3.27Å; I17-L186 HydrophobicContact CD1-CD1 4.5Å; I17-L186 HydrophobicContact CG2-CD1 3.83Å; I17-L186 HydrophobicContact CG2-CG 4.23Å; I17-Y208 HydrophobicContact CG2-CE1 3.95Å; I17-L209 HydrophobicContact CD1-CD2 3.59Å; I17-L209 HydrophobicContact CG1-CD2 3.86Å; I17-L209 HydrophobicContact CG2-CD2 3.98Å; I17-L212 HydrophobicContact CG2-CD1 4.13Å; I17-L250 HydrophobicContact CD1-CD2 4.45Å; I17-L250 HydrophobicContact CG1-CD1 4.15Å; I17-L250 HydrophobicContact CG1-CD2 3.7Å
18N98.7Very high97.8Very high35 Ų3533.9 Ų33.919%0.18720%0.199CC..Hα-helixtrans-66.8-38.6-177.7-70.8-25.3000112.3I14 D15 A16 G21 Q22 Q185 L186I14-N18 PolarHBondContact O-N 3.38Å; I14-N18 PolarHBondContact O-ND2 2.65Å; D15-N18 PolarHBondContact O-N 2.72Å; A16-N18 VanDerWaalsContact C-N 3.33Å; A16-N18 PolarHBondContact O-N 3.31Å; N18-G21 PolarHBondContact O-N 3.05Å; N18-Q22 VanDerWaalsContact O-CB 3.28Å; N18-Q22 WeakPolarHBondContact O-CB 3.35Å; N18-Q22 PolarHBondContact O-N 2.86Å; N18-Q185 WeakPolarHBondContact OD1-CA 3.14Å; N18-L186 PolarHBondContact ND2-O 3.08Å; N18-L186 PolarHBondContact OD1-N 3.35Å
19V98.7Very high97.7Very high51 Ų5131.4 Ų31.431%0.30918%0.183SC..Hα-helixtrans-59.7-48173.2166.80000110.9D15 A16 W23 E242 V243 A246D15-V19 WeakPolarHBondContact O-CG2 3.47Å; D15-V19 PolarHBondContact O-N 2.64Å; A16-V19 PolarHBondContact O-N 3.44Å; V19-W23 WeakPolarHBondContact O-CB 3.11Å; V19-W23 PolarHBondContact O-N 2.77Å; V19-E242 HydrophobicContact CG1-CB 4.39Å; V19-E242 HydrophobicContact CG1-CG 4.21Å; V19-V243 HydrophobicContact CG1-CG2 4.31Å; V19-A246 HydrophobicContact CB-CB 4.19Å; V19-A246 HydrophobicContact CG1-CB 4.02Å
20I98.7Very high97.1Very high0 Ų036.2 Ų36.20%022%0.217CC..Hα-helixtrans-66.7-43.3178.5-67.6157.9000110.8A16 I17 Q22 W23 L24 L212 L216 V243 A246 W247 L250A16-I20 WeakPolarHBondContact O-CD1 3.47Å; A16-I20 WeakPolarHBondContact O-CG1 3.07Å; A16-I20 PolarHBondContact O-N 3.15Å; A16-I20 VanDerWaalsContact O-N 3.09Å; I17-I20 PolarHBondContact O-N 2.78Å; I20-Q22 PolarHBondContact O-N 2.85Å; I20-W23 CarbonylContact O-C 3.57Å; I20-W23 PolarHBondContact O-N 3.06Å; I20-W23 VanDerWaalsContact O-N 3.14Å; I20-L24 HydrophobicContact CG2-CD1 3.81Å; I20-L24 HydrophobicContact CG2-CG 4.07Å; I20-L24 WeakPolarHBondContact O-CG 3.32Å; I20-L24 PolarHBondContact O-N 2.62Å; I20-L212 HydrophobicContact CB-CD1 4.26Å; I20-L212 HydrophobicContact CB-CD2 4.11Å; I20-L212 HydrophobicContact CB-CG 4.37Å; I20-L212 HydrophobicContact CD1-CD2 4.32Å; I20-L212 HydrophobicContact CG2-CD1 3.91Å; I20-L212 HydrophobicContact CG2-CD2 3.6Å; I20-L212 HydrophobicContact CG2-CG 3.61Å; I20-L216 HydrophobicContact CD1-CD1 3.93Å; I20-L216 HydrophobicContact CG1-CD1 4.39Å; I20-L216 HydrophobicContact CG2-CD1 4.04Å; I20-L216 HydrophobicContact CG2-CD2 3.72Å; I20-L216 HydrophobicContact CG2-CG 4.14Å; I20-V243 HydrophobicContact CG1-CG1 4.36Å; I20-A246 HydrophobicContact CD1-CB 3.89Å; I20-A246 HydrophobicContact CG1-CB 3.86Å; I20-W247 HydrophobicContact CD1-CB 4.36Å; I20-L250 HydrophobicContact CD1-CD1 3.46Å; I20-L250 VanDerWaalsContact CD1-CD1 3.46Å; I20-L250 HydrophobicContact CD1-CG 4Å
21G98.4Very high96.1Very high3 Ų337 Ų373%0.03123%0.233CC..Hα-helixtrans-59.1-46.9179.400000112.1I17 N18 W23 L24 A25 Y208I17-G21 PolarHBondContact O-N 3.27Å; N18-G21 PolarHBondContact O-N 3.05Å; G21-W23 VanDerWaalsContact C-N 3.31Å; G21-W23 PolarHBondContact O-N 2.59Å; G21-L24 PolarHBondContact O-N 2.86Å; G21-A25 VanDerWaalsContact O-CB 3.23Å; G21-A25 WeakPolarHBondContact O-CB 3.14Å; G21-A25 PolarHBondContact O-N 3.42Å; G21-Y208 WeakPolarHBondContact CA-OH 3.41Å
22Q98Very high95.4Very high98 Ų9839.3 Ų39.346%0.45824%0.235SC..Hα-helixtrans-59.9-40.7173.3179.469.758.100112N18 I20 V183N18-Q22 VanDerWaalsContact O-CB 3.28Å; N18-Q22 WeakPolarHBondContact O-CB 3.35Å; N18-Q22 PolarHBondContact O-N 2.86Å; I20-Q22 PolarHBondContact O-N 2.85Å; Q22-V183 HydrophobicContact CB-CG1 4.1Å
23W98.2Very high94.4Very high21 Ų2142.8 Ų42.88%0.0825%0.25CS..Hα-helixtrans-69.2-45.5177.7179.677.6000112V19 I20 G21 A25 R157 L216 L219 V237 D238 F239 V243V19-W23 WeakPolarHBondContact O-CB 3.11Å; V19-W23 PolarHBondContact O-N 2.77Å; I20-W23 CarbonylContact O-C 3.57Å; I20-W23 PolarHBondContact O-N 3.06Å; I20-W23 VanDerWaalsContact O-N 3.14Å; G21-W23 VanDerWaalsContact C-N 3.31Å; G21-W23 PolarHBondContact O-N 2.59Å; W23-A25 VanDerWaalsContact C-N 3.34Å; W23-A25 PolarHBondContact O-N 3Å; W23-R157 VanDerWaalsContact CZ2-CD 3.5Å; W23-R157 PolarHBondContact O-NE 3.3Å; W23-R157 PolarHBondContact O-NH2 2.91Å; W23-L216 HydrophobicContact CE3-CD2 4.23Å; W23-L216 HydrophobicContact CZ3-CD2 3.78Å; W23-L219 HydrophobicContact CH2-CB 4.32Å; W23-L219 HydrophobicContact CH2-CD1 3.72Å; W23-L219 HydrophobicContact CZ3-CD1 3.6Å; W23-V237 HydrophobicContact CH2-CG1 4.09Å; W23-V237 HydrophobicContact CZ2-CG1 3.73Å; W23-D238 WeakPolarHBondContact CZ2-O 3.25Å; W23-F239 HydrophobicContact CH2-CD1 4.11Å; W23-F239 AromaticContact CH2-CD2 3.92Å; W23-F239 HydrophobicContact CH2-CD2 3.92Å; W23-F239 AromaticContact CH2-CE1 3.79Å; W23-F239 HydrophobicContact CH2-CE1 3.79Å; W23-F239 AromaticContact CH2-CE2 3.57Å; W23-F239 HydrophobicContact CH2-CE2 3.57Å; W23-F239 HydrophobicContact CH2-CG 4.18Å; W23-F239 AromaticContact CH2-CZ 3.51Å; W23-F239 HydrophobicContact CH2-CZ 3.51Å; W23-F239 HydrophobicContact CZ2-CD2 4.12Å; W23-F239 HydrophobicContact CZ2-CE2 4.2Å; W23-F239 HydrophobicContact CZ2-CG 4.31Å; W23-F239 HydrophobicContact CZ2-CZ 4.47Å; W23-F239 HydrophobicContact CZ3-CE1 4.08Å; W23-F239 HydrophobicContact CZ3-CZ 4.05Å; W23-V243 HydrophobicContact CB-CG2 3.7Å; W23-V243 HydrophobicContact CD2-CG1 3.92Å; W23-V243 HydrophobicContact CD2-CG2 3.93Å; W23-V243 HydrophobicContact CE3-CG1 3.74Å; W23-V243 HydrophobicContact CG-CG1 4.37Å; W23-V243 HydrophobicContact CG-CG2 3.54Å; W23-V243 HydrophobicContact CZ3-CG1 4.12Å
24L98.6Very high93.6Very high1 Ų143.2 Ų43.21%0.00525%0.253CS..Hα-helixtrans-63-40.3178.7-72.8175.7000112.3I20 G21 Q26 P153 R157 L212 E215 L219I20-L24 HydrophobicContact CG2-CD1 3.81Å; I20-L24 HydrophobicContact CG2-CG 4.07Å; I20-L24 WeakPolarHBondContact O-CG 3.32Å; I20-L24 PolarHBondContact O-N 2.62Å; G21-L24 PolarHBondContact O-N 2.86Å; L24-Q26 PolarHBondContact O-N 3.07Å; L24-P153 CarbonylContact C-O 3.45Å; L24-R157 WeakPolarHBondContact O-CB 3.18Å; L24-R157 PolarHBondContact O-N 3.45Å; L24-L212 HydrophobicContact CD1-CB 4.32Å; L24-L212 HydrophobicContact CD1-CD1 4.43Å; L24-L212 HydrophobicContact CD1-CG 3.89Å; L24-E215 HydrophobicContact CD1-CB 4.25Å; L24-E215 HydrophobicContact CD2-CB 4.11Å; L24-L219 HydrophobicContact CD2-CD1 3.44Å; L24-L219 VanDerWaalsContact CD2-CD1 3.44Å
25A97.8Very high92.9Very high0 Ų047.3 Ų47.30%027%0.269CS..SBendtrans-75.458.4176.500000111G21 W23 D27 P153 P180 V183G21-A25 VanDerWaalsContact O-CB 3.23Å; G21-A25 WeakPolarHBondContact O-CB 3.14Å; G21-A25 PolarHBondContact O-N 3.42Å; W23-A25 VanDerWaalsContact C-N 3.34Å; W23-A25 PolarHBondContact O-N 3Å; A25-D27 PolarHBondContact O-N 3.11Å; A25-D27 VanDerWaalsContact O-N 3.07Å; A25-P153 VanDerWaalsContact CA-O 3.25Å; A25-P153 WeakPolarHBondContact CA-O 3.42Å; A25-P153 HydrophobicContact CB-CB 3.85Å; A25-P153 PolarHBondContact N-O 3.11Å; A25-P153 VanDerWaalsContact N-O 3.13Å; A25-P180 HydrophobicContact CB-CB 4.14Å; A25-P180 HydrophobicContact CB-CG 4.07Å; A25-V183 HydrophobicContact CB-CG1 4.29Å; A25-V183 HydrophobicContact CB-CG2 4.19Å
26Q97.6Very high92.5Very high15 Ų1549.9 Ų49.97%0.0728%0.277CS..  trans-52.7118.8-179.9-177.9-172-37.800109.7L24 D28 Q156 R157 S178 P180L24-Q26 PolarHBondContact O-N 3.07Å; Q26-D28 PolarHBondContact NE2-OD1 3Å; Q26-Q156 HydrophobicContact CB-CG 4.34Å; Q26-Q156 WeakPolarHBondContact O-CG 3.42Å; Q26-R157 HydrophobicContact CB-CB 4.16Å; Q26-S178 WeakPolarHBondContact O-CB 3.22Å; Q26-S178 PolarHBondContact O-OG 3.36Å; Q26-P180 WeakPolarHBondContact O-CD 3.48Å
27D96.5Very high92.3Very high32 Ų3249.8 Ų49.817%0.17128%0.276CS..  trans-125.2110-179.5-178.97.7000109.1A25 F29 G31 P180A25-D27 PolarHBondContact O-N 3.11Å; A25-D27 VanDerWaalsContact O-N 3.07Å; D27-F29 PolarHBondContact O-N 2.93Å; D27-F29 WeakPolarHBondContact OD1-CA 3.17Å; D27-F29 WeakPolarHBondContact OD1-CB 3.4Å; D27-F29 PolarHBondContact OD1-N 2.83Å; D27-G31 PolarHBondContact OD2-N 3.31Å; D27-P180 HydrophobicContact CB-CG 4.18Å
28D95.9Very high92.2Very high60 Ų6052.9 Ų52.932%0.32129%0.293SS..THydrogen-bonded Turntrans-79.4-0.9179.7-65-15.1000111.9Q26 S178Q26-D28 PolarHBondContact NE2-OD1 3Å; D28-S178 PolarHBondContact N-O 3.08Å; D28-S178 WeakPolarHBondContact OD2-CB 3.46Å; D28-S178 PolarHBondContact OD2-N 2.78Å
29F93.5Very high92.2Very high10 Ų1051.2 Ų51.24%0.04428%0.284CS..THydrogen-bonded Turntrans-109.8-1.1-179-53.1-85.9000113.1D27 G31 E32 P34 Y35 I148 L177 S178 Y179D27-F29 PolarHBondContact O-N 2.93Å; D27-F29 WeakPolarHBondContact OD1-CA 3.17Å; D27-F29 WeakPolarHBondContact OD1-CB 3.4Å; D27-F29 PolarHBondContact OD1-N 2.83Å; F29-G31 PolarHBondContact O-N 3.45Å; F29-G31 VanDerWaalsContact O-N 3.16Å; F29-E32 VanDerWaalsContact O-CB 3.28Å; F29-E32 WeakPolarHBondContact O-CB 3.33Å; F29-E32 PolarHBondContact O-N 3.29Å; F29-P34 VanDerWaalsContact CD1-CA 3.45Å; F29-P34 HydrophobicContact CD1-CB 3.98Å; F29-P34 HydrophobicContact CD1-CG 4.39Å; F29-P34 HydrophobicContact CD2-CB 4.37Å; F29-P34 HydrophobicContact CD2-CG 4.19Å; F29-P34 HydrophobicContact CE1-CB 3.7Å; F29-P34 HydrophobicContact CE1-CG 4.48Å; F29-P34 HydrophobicContact CE2-CB 4.19Å; F29-P34 HydrophobicContact CE2-CG 4.35Å; F29-P34 HydrophobicContact CG-CB 4.27Å; F29-P34 HydrophobicContact CG-CG 4.21Å; F29-P34 HydrophobicContact CZ-CB 3.82Å; F29-P34 HydrophobicContact CZ-CG 4.47Å; F29-Y35 AromaticContact CD1-CD1 3.56Å; F29-Y35 HydrophobicContact CD1-CD1 3.56Å; F29-Y35 AromaticContact CD1-CE1 3.51Å; F29-Y35 HydrophobicContact CD1-CE1 3.51Å; F29-Y35 HydrophobicContact CD1-CG 4.5Å; F29-Y35 AromaticContact CE1-CD1 3.3Å; F29-Y35 HydrophobicContact CE1-CD1 3.3Å; F29-Y35 HydrophobicContact CE1-CD2 4.37Å; F29-Y35 AromaticContact CE1-CE1 3.16Å; F29-Y35 HydrophobicContact CE1-CE1 3.16Å; F29-Y35 HydrophobicContact CE1-CE2 4.31Å; F29-Y35 AromaticContact CE1-CG 3.91Å; F29-Y35 HydrophobicContact CE1-CG 3.91Å; F29-Y35 AromaticContact CE1-CZ 3.73Å; F29-Y35 HydrophobicContact CZ-CE1 4.17Å; F29-I148 HydrophobicContact CE2-CG2 4.38Å; F29-I148 HydrophobicContact CZ-CD1 4.17Å; F29-I148 HydrophobicContact CZ-CG1 4.08Å; F29-L177 HydrophobicContact CE1-CD1 4.39Å; F29-L177 HydrophobicContact CE2-CB 4.18Å; F29-L177 HydrophobicContact CZ-CB 3.85Å; F29-L177 HydrophobicContact CZ-CD1 3.93Å; F29-L177 HydrophobicContact CZ-CG 4.49Å; F29-S178 WeakPolarHBondContact CD2-O 3.4Å; F29-S178 WeakPolarHBondContact CE2-O 3.3Å; F29-Y179 AromaticContact CD2-CD2 3.88Å; F29-Y179 HydrophobicContact CD2-CD2 3.88Å; F29-Y179 HydrophobicContact CD2-CG 4.21Å; F29-Y179 HydrophobicContact CE2-CG 4.44Å
30S85.2Confident92.2Very high110 Ų11048.8 Ų48.877%0.76927%0.269SS*.THydrogen-bonded Turntrans52.536.9176.1-54.80000114E32S30-E32 VanDerWaalsContact C-N 3.26Å; S30-E32 PolarHBondContact O-N 3.08Å
31G75.7Confident92.2Very high66 Ų6648.8 Ų48.868%0.6827%0.269SS*.THydrogen-bonded Turntrans78.4-0.6-176.200000115.5D27 F29D27-G31 PolarHBondContact OD2-N 3.31Å; F29-G31 PolarHBondContact O-N 3.45Å; F29-G31 VanDerWaalsContact O-N 3.16Å
32E81.5Confident92.2Very high146 Ų14648.6 Ų48.668%0.68227%0.268SS*.SBendtrans-79.9167.1172.2-58.8-170.2168.800111.8F29 S30F29-E32 VanDerWaalsContact O-CB 3.28Å; F29-E32 WeakPolarHBondContact O-CB 3.33Å; F29-E32 PolarHBondContact O-N 3.29Å; S30-E32 VanDerWaalsContact C-N 3.26Å; S30-E32 PolarHBondContact O-N 3.08Å
33V78Confident92.2Very high131 Ų13144 Ų4479%0.79425%0.246SC*.PPolyproline II helixtrans-66.5131.5176.5179.70000109.2Y35V33-Y35 PolarHBondContact O-N 3.35Å
34P80.5Confident92Very high12 Ų1243.4 Ų43.48%0.07825%0.247CC..PPolyproline II helixtrans-57131.7176.8-29.438000113F29 I57 Q61 I148 Y179F29-P34 VanDerWaalsContact CD1-CA 3.45Å; F29-P34 HydrophobicContact CD1-CB 3.98Å; F29-P34 HydrophobicContact CD1-CG 4.39Å; F29-P34 HydrophobicContact CD2-CB 4.37Å; F29-P34 HydrophobicContact CD2-CG 4.19Å; F29-P34 HydrophobicContact CE1-CB 3.7Å; F29-P34 HydrophobicContact CE1-CG 4.48Å; F29-P34 HydrophobicContact CE2-CB 4.19Å; F29-P34 HydrophobicContact CE2-CG 4.35Å; F29-P34 HydrophobicContact CG-CB 4.27Å; F29-P34 HydrophobicContact CG-CG 4.21Å; F29-P34 HydrophobicContact CZ-CB 3.82Å; F29-P34 HydrophobicContact CZ-CG 4.47Å; P34-I57 HydrophobicContact CB-CD1 4.21Å; P34-I57 HydrophobicContact CB-CG1 4.48Å; P34-I57 HydrophobicContact CG-CD1 3.77Å; P34-I57 HydrophobicContact CG-CG1 4.22Å; P34-Q61 PolarHBondContact O-NE2 3.09Å; P34-I148 HydrophobicContact CB-CD1 3.86Å; P34-Y179 HydrophobicContact CG-CD1 3.93Å; P34-Y179 HydrophobicContact CG-CD2 4.05Å; P34-Y179 HydrophobicContact CG-CE1 3.9Å; P34-Y179 HydrophobicContact CG-CE2 4.09Å; P34-Y179 HydrophobicContact CG-CG 3.98Å
35Y83.4Confident92Very high99 Ų9943.6 Ų43.639%0.38825%0.248SC..PPolyproline II helixtrans-70.2172.9173.352.3-95.6000111.5F29 V33 A37 Q61 R175 L177F29-Y35 AromaticContact CD1-CD1 3.56Å; F29-Y35 HydrophobicContact CD1-CD1 3.56Å; F29-Y35 AromaticContact CD1-CE1 3.51Å; F29-Y35 HydrophobicContact CD1-CE1 3.51Å; F29-Y35 HydrophobicContact CD1-CG 4.5Å; F29-Y35 AromaticContact CE1-CD1 3.3Å; F29-Y35 HydrophobicContact CE1-CD1 3.3Å; F29-Y35 HydrophobicContact CE1-CD2 4.37Å; F29-Y35 AromaticContact CE1-CE1 3.16Å; F29-Y35 HydrophobicContact CE1-CE1 3.16Å; F29-Y35 HydrophobicContact CE1-CE2 4.31Å; F29-Y35 AromaticContact CE1-CG 3.91Å; F29-Y35 HydrophobicContact CE1-CG 3.91Å; F29-Y35 AromaticContact CE1-CZ 3.73Å; F29-Y35 HydrophobicContact CZ-CE1 4.17Å; V33-Y35 PolarHBondContact O-N 3.35Å; Y35-A37 PolarHBondContact O-N 3.48Å; Y35-Q61 PolarHBondContact O-NE2 3.23Å; Y35-R175 PolarHBondContact OH-NH2 3.16Å; Y35-L177 HydrophobicContact CD2-CD1 4.17Å; Y35-L177 HydrophobicContact CE2-CD1 3.25Å; Y35-L177 HydrophobicContact CE2-CD2 4.45Å; Y35-L177 HydrophobicContact CE2-CG 4.45Å; Y35-L177 VanDerWaalsContact CZ-CD1 3.44Å; Y35-L177 VanDerWaalsContact OH-CD1 3.32Å; Y35-L177 WeakPolarHBondContact OH-CD1 3.34Å; Y35-L177 WeakPolarHBondContact OH-CD2 3.37Å
36Q89.9Confident91.9Very high152 Ų15244.1 Ų44.171%0.7125%0.252SS*.PPolyproline II helixtrans-63.3132.1-175.4-169.3149.95.500111.9
37A95.4Very high91.9Very high3 Ų343.4 Ų43.43%0.02525%0.249CC..  trans-128.9173.4172.700000109.9Y35 Q61 I63 T146 I148Y35-A37 PolarHBondContact O-N 3.48Å; A37-Q61 VanDerWaalsContact N-OE1 3.12Å; A37-I63 HydrophobicContact CB-CD1 4.38Å; A37-I63 WeakPolarHBondContact O-CD1 3.47Å; A37-I63 WeakPolarHBondContact O-CG2 3.35Å; A37-T146 HydrophobicContact CB-CG2 4Å; A37-I148 HydrophobicContact CB-CD1 3.7Å; A37-I148 HydrophobicContact CB-CG1 3.67Å
38D96.9Very high92Very high65 Ų6542 Ų4235%0.34824%0.241SC..SBendtrans-92.5-21.2178.9-49.9-45.6000111.7P64 V144 H145 T146D38-P64 WeakPolarHBondContact O-CD 3.39Å; D38-V144 HydrophobicContact CB-CG1 4.19Å; D38-H145 VanDerWaalsContact OD2-CA 3.29Å; D38-H145 WeakPolarHBondContact OD2-CA 3.26Å; D38-H145 VanDerWaalsContact OD2-CB 3.29Å; D38-H145 WeakPolarHBondContact OD2-CB 3.46Å; D38-H145 PolarHBondContact OD2-N 2.95Å; D38-T146 PolarHBondContact N-O 3.43Å; D38-T146 PolarHBondContact OD2-N 3.19Å
39C97.5Very high92Very high0 Ų040 Ų400%023%0.232CC..EExtended strand (participates in β ladder)trans-155.2150.9-179.6-178.40000111.1P64 V144 T146 A147 I148C39-P64 WeakPolarHBondContact CA-O 3.35Å; C39-P64 PolarHBondContact SG-O 3.23Å; C39-P64 VanDerWaalsContact SG-O 3.38Å; C39-V144 HydrophobicContact CB-CG1 3.99Å; C39-V144 HydrophobicContact CB-CG2 4.13Å; C39-T146 PolarHBondContact N-O 2.94Å; C39-A147 VanDerWaalsContact O-CA 3.31Å; C39-A147 WeakPolarHBondContact O-CA 3.26Å; C39-I148 PolarHBondContact O-N 2.93Å
40V98.3Very high92.3Very high0 Ų039.6 Ų39.60%023%0.23CC..EExtended strand (participates in β ladder)trans-106.7132.3163.6-176.30000108.6A54 I57 A58 I63 P64 L65 L66 I148 V150V40-A54 HydrophobicContact CG1-CB 3.98Å; V40-I57 HydrophobicContact CG2-CB 4.01Å; V40-I57 HydrophobicContact CG2-CG2 3.52Å; V40-A58 HydrophobicContact CB-CB 4.38Å; V40-A58 HydrophobicContact CG2-CB 4.1Å; V40-I63 HydrophobicContact CG2-CD1 3.88Å; V40-I63 HydrophobicContact CG2-CG1 4.3Å; V40-P64 PolarHBondContact N-O 2.64Å; V40-L65 HydrophobicContact CB-CD1 3.86Å; V40-L65 HydrophobicContact CG1-CD1 3.81Å; V40-L65 CarbonylContact O-C 3.56Å; V40-L65 WeakPolarHBondContact O-CA 3.28Å; V40-L66 PolarHBondContact O-N 2.69Å; V40-I148 CarbonylContact C-O 3.16Å; V40-I148 WeakPolarHBondContact CA-O 3.3Å; V40-V150 HydrophobicContact CG1-CG2 3.91Å
41I98.6Very high92.9Very high0 Ų034.3 Ų34.30%019%0.193CC..EExtended strand (participates in β ladder)trans-107.1115.3171.3-57.8173.1000108.1L66 L137 A147 I148 V149 V150 F163 W176I41-L66 CarbonylContact C-O 3.52Å; I41-L66 VanDerWaalsContact CA-O 3.28Å; I41-L66 WeakPolarHBondContact CA-O 3.34Å; I41-L66 HydrophobicContact CG1-CB 4.24Å; I41-L66 HydrophobicContact CG2-CD2 4.07Å; I41-L137 HydrophobicContact CD1-CD1 3.87Å; I41-A147 HydrophobicContact CD1-CB 4.07Å; I41-A147 HydrophobicContact CG1-CB 4.41Å; I41-I148 PolarHBondContact N-O 3.05Å; I41-V149 HydrophobicContact CD1-CG2 4.35Å; I41-V150 PolarHBondContact O-N 3.02Å; I41-F163 HydrophobicContact CD1-CE1 3.84Å; I41-F163 HydrophobicContact CD1-CZ 4.02Å; I41-F163 HydrophobicContact CG2-CZ 4.1Å; I41-W176 HydrophobicContact CD1-CE3 4.39Å; I41-W176 HydrophobicContact CD1-CH2 4.47Å; I41-W176 HydrophobicContact CD1-CZ3 3.67Å
42L98.7Very high93.9Very high0 Ų033 Ų330%017%0.17CC..EExtended strand (participates in β ladder)trans-99.9109.2170.7176.259.7000109.2I51 A54 L65 L66 I67 S68 L102 V150L42-I51 HydrophobicContact CD2-CG1 4.42Å; L42-I51 HydrophobicContact CD2-CG2 4.18Å; L42-A54 HydrophobicContact CB-CB 4.04Å; L42-A54 HydrophobicContact CD1-CB 3.96Å; L42-A54 HydrophobicContact CD2-CB 4.17Å; L42-A54 HydrophobicContact CG-CB 4.28Å; L42-L65 HydrophobicContact CB-CD1 4.09Å; L42-L66 PolarHBondContact N-O 2.63Å; L42-I67 HydrophobicContact CD2-CG2 4.45Å; L42-I67 HydrophobicContact CG-CG2 4.49Å; L42-I67 WeakPolarHBondContact O-CA 3.42Å; L42-S68 PolarHBondContact O-N 3.25Å; L42-L102 HydrophobicContact CD2-CB 4.43Å; L42-L102 HydrophobicContact CD2-CD1 4.06Å; L42-L102 HydrophobicContact CG-CD1 4.3Å; L42-V150 WeakPolarHBondContact CA-O 3.47Å; L42-V150 HydrophobicContact CD1-CB 4.37Å; L42-V150 HydrophobicContact CD1-CG1 4.19Å
43A97.7Very high94.7Very high1 Ų126.7 Ų26.71%0.00814%0.143CC..EExtended strand (participates in β ladder)trans-79.4143169.800000110.1N45 S68 N129 V150 Q151A43-N45 PolarHBondContact O-N 3.34Å; A43-N45 PolarHBondContact O-ND2 3.3Å; A43-S68 CarbonylContact C-O 3.55Å; A43-S68 WeakPolarHBondContact CA-O 3.48Å; A43-N129 HydrophobicContact CB-CB 4.31Å; A43-V150 PolarHBondContact N-O 2.85Å; A43-Q151 HydrophobicContact CB-CB 4.18Å; A43-Q151 VanDerWaalsContact CB-CD 3.45Å; A43-Q151 HydrophobicContact CB-CG 4.09Å; A43-Q151 PolarHBondContact O-OE1 2.91Å
44G95.8Very high95.7Very high8 Ų820.4 Ų20.48%0.08211%0.105CC..  trans-56.6127.7-175.800000112.1S68 E98 Q151G44-S68 PolarHBondContact N-O 3.11Å; G44-E98 VanDerWaalsContact C-OE2 3.22Å; G44-E98 WeakPolarHBondContact CA-OE2 3.4Å; G44-Q151 PolarHBondContact O-NE2 3.4Å; G44-Q151 VanDerWaalsContact O-NE2 3.15Å; G44-Q151 PolarHBondContact O-OE1 3.49Å
45N96.7Very high96.5Very high5 Ų519.9 Ų19.93%0.02710%0.102CC..  trans-158.6178.2176.465.782.5000111.1A43 V47 L78 Q151 D152A43-N45 PolarHBondContact O-N 3.34Å; A43-N45 PolarHBondContact O-ND2 3.3Å; N45-V47 HydrophobicContact CB-CG2 4.49Å; N45-V47 WeakPolarHBondContact OD1-CB 3.41Å; N45-V47 PolarHBondContact OD1-N 3.45Å; N45-L78 WeakPolarHBondContact O-CD1 3.46Å; N45-Q151 VanDerWaalsContact CB-OE1 3.3Å; N45-Q151 PolarHBondContact ND2-OE1 3Å; N45-D152 HydrophobicContact CB-CB 3.81Å
46A96.7Very high97.2Very high11 Ų1119.8 Ų19.89%0.09110%0.103CC..SBendtrans-113.118.4-175.800000113.6M48 F77 L78 A81A46-M48 WeakPolarHBondContact O-CE 3.43Å; A46-F77 HydrophobicContact CB-CB 4.11Å; A46-L78 HydrophobicContact CB-CB 4.18Å; A46-A81 HydrophobicContact CB-CB 4.43Å
47V97.8Very high97.5Very high1 Ų113 Ų131%0.0067%0.072CC..  trans-106.7100-167.9-168.10000109N45 T50 I51 D152 F182 L202 W203N45-V47 HydrophobicContact CB-CG2 4.49Å; N45-V47 WeakPolarHBondContact OD1-CB 3.41Å; N45-V47 PolarHBondContact OD1-N 3.45Å; V47-T50 WeakPolarHBondContact O-CB 3.29Å; V47-T50 PolarHBondContact O-N 2.92Å; V47-I51 PolarHBondContact O-N 2.94Å; V47-D152 HydrophobicContact CG2-CB 4.32Å; V47-D152 WeakPolarHBondContact CG2-OD2 3.35Å; V47-F182 HydrophobicContact CG1-CE1 3.68Å; V47-F182 HydrophobicContact CG1-CZ 4Å; V47-L202 HydrophobicContact CG1-CD2 4.49Å; V47-W203 HydrophobicContact CB-CH2 4.41Å; V47-W203 HydrophobicContact CB-CZ2 4.08Å; V47-W203 HydrophobicContact CG1-CH2 3.64Å; V47-W203 HydrophobicContact CG1-CZ2 3.8Å; V47-W203 HydrophobicContact CG1-CZ3 4.07Å; V47-W203 HydrophobicContact CG2-CD2 4.22Å; V47-W203 HydrophobicContact CG2-CH2 3.88Å; V47-W203 HydrophobicContact CG2-CZ2 3.1Å
48M97.8Very high97.7Very high1 Ų113 Ų131%0.0057%0.071CC..Hα-helixtrans-58.4-44.1-169.1-58.4-62.911000113.1A46 T50 I51 D52 L78 A81 I82 Y88 G201A46-M48 WeakPolarHBondContact O-CE 3.43Å; M48-T50 VanDerWaalsContact C-N 3.26Å; M48-T50 PolarHBondContact O-N 3.11Å; M48-I51 HydrophobicContact CE-CD1 3.44Å; M48-I51 VanDerWaalsContact CE-CD1 3.44Å; M48-I51 PolarHBondContact O-N 3.24Å; M48-I51 VanDerWaalsContact O-N 3.16Å; M48-I51 HydrophobicContact SD-CD1 4.17Å; M48-D52 WeakPolarHBondContact O-CB 3.31Å; M48-D52 VanDerWaalsContact O-CG 3.28Å; M48-D52 PolarHBondContact O-N 2.95Å; M48-L78 HydrophobicContact CE-CD1 3.82Å; M48-A81 HydrophobicContact CE-CB 3.78Å; M48-I82 HydrophobicContact CE-CD1 4.02Å; M48-I82 HydrophobicContact CE-CG1 4.47Å; M48-I82 HydrophobicContact SD-CD1 3.79Å; M48-Y88 HydrophobicContact SD-CD2 3.81Å; M48-Y88 HydrophobicContact SD-CE2 4.18Å; M48-G201 PolarHBondContact N-O 2.9Å; M48-G201 VanDerWaalsContact N-O 3.12Å
49P97.4Very high97.7Very high20 Ų2014.6 Ų14.613%0.137%0.073CC..Hα-helixtrans-62.1-31.8178.2-25.436.6000113.9A53 F182 L199 Q200 L202P49-A53 VanDerWaalsContact O-CB 3.23Å; P49-A53 WeakPolarHBondContact O-CB 3.26Å; P49-A53 PolarHBondContact O-N 3.25Å; P49-F182 HydrophobicContact CB-CD1 4Å; P49-F182 HydrophobicContact CB-CE1 4.08Å; P49-L199 HydrophobicContact CB-CD1 4.02Å; P49-L199 HydrophobicContact CG-CB 3.9Å; P49-L199 HydrophobicContact CG-CD1 4.07Å; P49-L199 HydrophobicContact CG-CG 4.43Å; P49-Q200 VanDerWaalsContact CD-O 3.32Å; P49-Q200 WeakPolarHBondContact CD-O 3.23Å; P49-Q200 VanDerWaalsContact CG-O 3.31Å; P49-Q200 WeakPolarHBondContact CG-O 3.27Å; P49-L202 HydrophobicContact CG-CD2 3.88Å
50T97.9Very high97.6Very high0 Ų018.6 Ų18.60%09%0.094CC..Hα-helixtrans-71.3-42.5176-64.80000111.1V47 M48 A53 A54 V150 Q151 P153 P180V47-T50 WeakPolarHBondContact O-CB 3.29Å; V47-T50 PolarHBondContact O-N 2.92Å; M48-T50 VanDerWaalsContact C-N 3.26Å; M48-T50 PolarHBondContact O-N 3.11Å; T50-A53 PolarHBondContact O-N 2.98Å; T50-A54 PolarHBondContact O-N 3.06Å; T50-A54 VanDerWaalsContact O-N 3.11Å; T50-V150 HydrophobicContact CG2-CG1 3.53Å; T50-V150 WeakPolarHBondContact O-CG1 3.43Å; T50-Q151 VanDerWaalsContact CG2-O 3.3Å; T50-Q151 WeakPolarHBondContact CG2-O 3.49Å; T50-P153 WeakPolarHBondContact OG1-CD 3.45Å; T50-P180 WeakPolarHBondContact CG2-O 3.26Å; T50-P180 PolarHBondContact OG1-O 3.49Å
51I98.4Very high97.5Very high0 Ų020.7 Ų20.70%010%0.104CC..Hα-helixtrans-61.7-46.5174.6-66.3157.7000110.3L42 V47 M48 A53 A54 C55 L78 L102 I105L42-I51 HydrophobicContact CD2-CG1 4.42Å; L42-I51 HydrophobicContact CD2-CG2 4.18Å; V47-I51 PolarHBondContact O-N 2.94Å; M48-I51 HydrophobicContact CE-CD1 3.44Å; M48-I51 VanDerWaalsContact CE-CD1 3.44Å; M48-I51 PolarHBondContact O-N 3.24Å; M48-I51 VanDerWaalsContact O-N 3.16Å; M48-I51 HydrophobicContact SD-CD1 4.17Å; I51-A53 VanDerWaalsContact C-N 3.32Å; I51-A53 PolarHBondContact O-N 2.88Å; I51-A54 PolarHBondContact O-N 2.7Å; I51-C55 PolarHBondContact O-N 3.03Å; I51-C55 PolarHBondContact O-SG 3.08Å; I51-L78 HydrophobicContact CD1-CD1 4.34Å; I51-L102 HydrophobicContact CD1-CD2 3.45Å; I51-L102 VanDerWaalsContact CD1-CD2 3.45Å; I51-L102 HydrophobicContact CG1-CD2 3.77Å; I51-L102 HydrophobicContact CG2-CD2 3.94Å; I51-I105 HydrophobicContact CG2-CD1 4.21Å; I51-I105 HydrophobicContact CG2-CG2 4.23Å
52D98.1Very high97.4Very high37 Ų3727.5 Ų27.520%0.19814%0.136CC..Hα-helixtrans-61-41.2177.4-75.8-17.9000111.6M48 C55 K56 Y88 W110M48-D52 WeakPolarHBondContact O-CB 3.31Å; M48-D52 VanDerWaalsContact O-CG 3.28Å; M48-D52 PolarHBondContact O-N 2.95Å; D52-C55 PolarHBondContact O-N 3.27Å; D52-K56 VanDerWaalsContact O-CB 3.23Å; D52-K56 WeakPolarHBondContact O-CB 3.46Å; D52-K56 PolarHBondContact O-N 3.02Å; D52-Y88 PolarHBondContact OD1-OH 3.39Å; D52-W110 HydrophobicContact CB-CH2 4.37Å; D52-W110 HydrophobicContact CB-CZ2 3.53Å; D52-W110 WeakPolarHBondContact O-CZ2 3.47Å; D52-W110 PolarHBondContact OD1-NE1 3.22Å
53A97.1Very high97.3Very high14 Ų1428.2 Ų28.212%0.11614%0.139CC..Hα-helixtrans-61.5-45.4176.900000112.2P49 T50 I51 K56 I57 Y179 G181P49-A53 VanDerWaalsContact O-CB 3.23Å; P49-A53 WeakPolarHBondContact O-CB 3.26Å; P49-A53 PolarHBondContact O-N 3.25Å; T50-A53 PolarHBondContact O-N 2.98Å; I51-A53 VanDerWaalsContact C-N 3.32Å; I51-A53 PolarHBondContact O-N 2.88Å; A53-K56 PolarHBondContact O-N 2.86Å; A53-I57 WeakPolarHBondContact O-CD1 3.38Å; A53-I57 VanDerWaalsContact O-CG1 3.29Å; A53-I57 WeakPolarHBondContact O-CG1 3.45Å; A53-I57 PolarHBondContact O-N 3.34Å; A53-I57 VanDerWaalsContact O-N 3.1Å; A53-Y179 HydrophobicContact CB-CE1 3.9Å; A53-G181 VanDerWaalsContact CB-CA 3.44Å
54A98.3Very high97.3Very high0 Ų029.5 Ų29.50%015%0.148CC..Hα-helixtrans-61-47.6175.300000111.9V40 L42 T50 I51 K56 I57 A58 L65 V150V40-A54 HydrophobicContact CG1-CB 3.98Å; L42-A54 HydrophobicContact CB-CB 4.04Å; L42-A54 HydrophobicContact CD1-CB 3.96Å; L42-A54 HydrophobicContact CD2-CB 4.17Å; L42-A54 HydrophobicContact CG-CB 4.28Å; T50-A54 PolarHBondContact O-N 3.06Å; T50-A54 VanDerWaalsContact O-N 3.11Å; I51-A54 PolarHBondContact O-N 2.7Å; A54-K56 VanDerWaalsContact C-N 3.33Å; A54-K56 PolarHBondContact O-N 3.43Å; A54-I57 PolarHBondContact O-N 3.27Å; A54-A58 PolarHBondContact O-N 3.5Å; A54-A58 VanDerWaalsContact O-N 3.09Å; A54-L65 HydrophobicContact CB-CD1 4.34Å; A54-V150 HydrophobicContact CB-CB 3.94Å; A54-V150 HydrophobicContact CB-CG1 3.91Å; A54-V150 HydrophobicContact CB-CG2 3.97Å
55C98.5Very high97.4Very high0 Ų029.1 Ų29.10%014%0.144CC..Hα-helixtrans-63.5-40.3179.5-63.20000111.6I51 D52 I57 A58 R59 W110 I112I51-C55 PolarHBondContact O-N 3.03Å; I51-C55 PolarHBondContact O-SG 3.08Å; D52-C55 PolarHBondContact O-N 3.27Å; C55-I57 PolarHBondContact O-N 2.94Å; C55-A58 PolarHBondContact O-N 3.43Å; C55-R59 VanDerWaalsContact O-CB 3.24Å; C55-R59 WeakPolarHBondContact O-CB 3.43Å; C55-R59 PolarHBondContact O-N 3.46Å; C55-W110 HydrophobicContact CB-CB 3.82Å; C55-W110 HydrophobicContact CB-CD2 3.47Å; C55-W110 VanDerWaalsContact CB-CD2 3.47Å; C55-W110 HydrophobicContact CB-CE3 4.06Å; C55-W110 HydrophobicContact CB-CG 3.31Å; C55-I112 HydrophobicContact CB-CD1 4.18Å
56K97.3Very high97.5Very high97 Ų9728.9 Ų28.942%0.42214%0.142SC..Hα-helixtrans-59.1-48176.5-177.5166160.148.20111.9D52 A53 A54 R59 D60 W110D52-K56 VanDerWaalsContact O-CB 3.23Å; D52-K56 WeakPolarHBondContact O-CB 3.46Å; D52-K56 PolarHBondContact O-N 3.02Å; A53-K56 PolarHBondContact O-N 2.86Å; A54-K56 VanDerWaalsContact C-N 3.33Å; A54-K56 PolarHBondContact O-N 3.43Å; K56-R59 PolarHBondContact O-N 2.78Å; K56-D60 WeakPolarHBondContact CG-OD2 3.49Å; K56-D60 IonicContact NZ-OD2 2.62Å; K56-D60 PolarHBondContact NZ-OD2 3.1Å; K56-D60 VanDerWaalsContact O-CB 3.27Å; K56-D60 WeakPolarHBondContact O-CB 2.95Å; K56-D60 PolarHBondContact O-N 3.08Å; K56-W110 HydrophobicContact CB-CE3 4.19Å; K56-W110 HydrophobicContact CB-CH2 3.67Å; K56-W110 HydrophobicContact CB-CZ3 3.37Å; K56-W110 HydrophobicContact CD-CH2 4.39Å; K56-W110 HydrophobicContact CD-CZ3 4.38Å; K56-W110 HydrophobicContact CG-CH2 4.31Å; K56-W110 HydrophobicContact CG-CZ3 3.9Å
57I97.4Very high97.6Very high11 Ų1128.4 Ų28.46%0.05614%0.138CC..Hα-helixtrans-61.6-51.6179.6-64.9160.9000110.1P34 V40 A53 A54 C55 R59 D60 Q61 I148 Y179P34-I57 HydrophobicContact CB-CD1 4.21Å; P34-I57 HydrophobicContact CB-CG1 4.48Å; P34-I57 HydrophobicContact CG-CD1 3.77Å; P34-I57 HydrophobicContact CG-CG1 4.22Å; V40-I57 HydrophobicContact CG2-CB 4.01Å; V40-I57 HydrophobicContact CG2-CG2 3.52Å; A53-I57 WeakPolarHBondContact O-CD1 3.38Å; A53-I57 VanDerWaalsContact O-CG1 3.29Å; A53-I57 WeakPolarHBondContact O-CG1 3.45Å; A53-I57 PolarHBondContact O-N 3.34Å; A53-I57 VanDerWaalsContact O-N 3.1Å; A54-I57 PolarHBondContact O-N 3.27Å; C55-I57 PolarHBondContact O-N 2.94Å; I57-R59 VanDerWaalsContact C-N 3.31Å; I57-R59 PolarHBondContact O-N 3.13Å; I57-D60 PolarHBondContact O-N 3.36Å; I57-Q61 HydrophobicContact CG2-CG 4.32Å; I57-Q61 WeakPolarHBondContact O-CB 3.41Å; I57-Q61 WeakPolarHBondContact O-CG 3.47Å; I57-Q61 PolarHBondContact O-N 3.37Å; I57-I148 HydrophobicContact CG2-CD1 3.95Å; I57-Y179 HydrophobicContact CD1-CD1 3.46Å; I57-Y179 VanDerWaalsContact CD1-CD1 3.46Å; I57-Y179 HydrophobicContact CD1-CE1 3.64Å; I57-Y179 HydrophobicContact CD1-CG 4.49Å
58A97.9Very high97.6Very high1 Ų128.3 Ų28.31%0.00814%0.138CC..Hα-helixtrans-60.4-41.5-178.300000112.1V40 A54 C55 Q62 I63 L65 I112V40-A58 HydrophobicContact CB-CB 4.38Å; V40-A58 HydrophobicContact CG2-CB 4.1Å; A54-A58 PolarHBondContact O-N 3.5Å; A54-A58 VanDerWaalsContact O-N 3.09Å; C55-A58 PolarHBondContact O-N 3.43Å; A58-Q62 CarbonylContact O-C 3.59Å; A58-Q62 VanDerWaalsContact O-CA 3.23Å; A58-Q62 WeakPolarHBondContact O-CA 3.33Å; A58-Q62 PolarHBondContact O-N 2.92Å; A58-I63 PolarHBondContact O-N 3.31Å; A58-L65 HydrophobicContact CB-CB 3.79Å; A58-L65 HydrophobicContact CB-CD1 4.28Å; A58-L65 HydrophobicContact CB-CG 4.43Å; A58-I112 HydrophobicContact CB-CD1 3.94Å
59R97.5Very high97.6Very high100 Ų10028.3 Ų28.338%0.37714%0.138SC..Hα-helixtrans-64.5-53.4175.7-176-162.369.2-169.1-0.1111.9C55 K56 I57 Q62 W110 I112C55-R59 VanDerWaalsContact O-CB 3.24Å; C55-R59 WeakPolarHBondContact O-CB 3.43Å; C55-R59 PolarHBondContact O-N 3.46Å; K56-R59 PolarHBondContact O-N 2.78Å; I57-R59 VanDerWaalsContact C-N 3.31Å; I57-R59 PolarHBondContact O-N 3.13Å; R59-Q62 WeakPolarHBondContact O-CG 3.46Å; R59-Q62 PolarHBondContact O-N 3.44Å; R59-Q62 VanDerWaalsContact O-N 3.15Å; R59-W110 VanDerWaalsContact CD-O 3.26Å; R59-W110 WeakPolarHBondContact CD-O 3.18Å; R59-I112 HydrophobicContact CB-CG1 4.18Å
60D96.3Very high97.6Very high84 Ų8427.5 Ų27.545%0.44913%0.133SC..Hα-helixtrans-69.1-37.5-172-69.6-5.3000111.8K56 I57 Q62K56-D60 WeakPolarHBondContact CG-OD2 3.49Å; K56-D60 IonicContact NZ-OD2 2.62Å; K56-D60 PolarHBondContact NZ-OD2 3.1Å; K56-D60 VanDerWaalsContact O-CB 3.27Å; K56-D60 WeakPolarHBondContact O-CB 2.95Å; K56-D60 PolarHBondContact O-N 3.08Å; I57-D60 PolarHBondContact O-N 3.36Å; D60-Q62 VanDerWaalsContact C-N 3.3Å
61Q96.1Very high97.5Very high44 Ų4432.2 Ų32.221%0.20616%0.158CC..Hα-helixtrans-83.5-8.9174.6-59-170.813.400112.7P34 Y35 A37 I57 I63P34-Q61 PolarHBondContact O-NE2 3.09Å; Y35-Q61 PolarHBondContact O-NE2 3.23Å; A37-Q61 VanDerWaalsContact N-OE1 3.12Å; I57-Q61 HydrophobicContact CG2-CG 4.32Å; I57-Q61 WeakPolarHBondContact O-CB 3.41Å; I57-Q61 WeakPolarHBondContact O-CG 3.47Å; I57-Q61 PolarHBondContact O-N 3.37Å; Q61-I63 VanDerWaalsContact C-N 3.31Å; Q61-I63 HydrophobicContact CB-CD1 4.06Å; Q61-I63 HydrophobicContact CB-CG1 4.04Å; Q61-I63 HydrophobicContact CB-CG2 4.17Å; Q61-I63 PolarHBondContact O-N 3.28Å
62Q96.1Very high97.1Very high143 Ų14333.4 Ų33.467%0.66817%0.17SC*.THydrogen-bonded Turntrans54.144.3-176.6-52.6-173.7-70.400112.9A58 R59 D60 K116A58-Q62 CarbonylContact O-C 3.59Å; A58-Q62 VanDerWaalsContact O-CA 3.23Å; A58-Q62 WeakPolarHBondContact O-CA 3.33Å; A58-Q62 PolarHBondContact O-N 2.92Å; R59-Q62 WeakPolarHBondContact O-CG 3.46Å; R59-Q62 PolarHBondContact O-N 3.44Å; R59-Q62 VanDerWaalsContact O-N 3.15Å; D60-Q62 VanDerWaalsContact C-N 3.3Å; Q62-K116 PolarHBondContact O-NZ 3.13Å
63I96.4Very high96.5Very high15 Ų1540.1 Ų40.18%0.07720%0.2CC..  trans-112.8161.1-179.260.1180000111.6A37 V40 A58 Q61A37-I63 HydrophobicContact CB-CD1 4.38Å; A37-I63 WeakPolarHBondContact O-CD1 3.47Å; A37-I63 WeakPolarHBondContact O-CG2 3.35Å; V40-I63 HydrophobicContact CG2-CD1 3.88Å; V40-I63 HydrophobicContact CG2-CG1 4.3Å; A58-I63 PolarHBondContact O-N 3.31Å; Q61-I63 VanDerWaalsContact C-N 3.31Å; Q61-I63 HydrophobicContact CB-CD1 4.06Å; Q61-I63 HydrophobicContact CB-CG1 4.04Å; Q61-I63 HydrophobicContact CB-CG2 4.17Å; Q61-I63 PolarHBondContact O-N 3.28Å
64P97.8Very high96Very high28 Ų2841.5 Ų41.518%0.18221%0.208CC..  trans-55.1136.9173.7-27.234.9000113.8D38 C39 V40 K116 W118D38-P64 WeakPolarHBondContact O-CD 3.39Å; C39-P64 WeakPolarHBondContact CA-O 3.35Å; C39-P64 PolarHBondContact SG-O 3.23Å; C39-P64 VanDerWaalsContact SG-O 3.38Å; V40-P64 PolarHBondContact N-O 2.64Å; P64-K116 CarbonylContact C-O 3.48Å; P64-K116 VanDerWaalsContact CA-O 3.31Å; P64-K116 WeakPolarHBondContact CA-O 3.43Å; P64-W118 HydrophobicContact CB-CD2 3.96Å; P64-W118 HydrophobicContact CB-CE3 4.03Å; P64-W118 HydrophobicContact CB-CH2 3.59Å; P64-W118 HydrophobicContact CB-CZ2 3.49Å; P64-W118 VanDerWaalsContact CB-CZ2 3.49Å; P64-W118 HydrophobicContact CB-CZ3 3.85Å; P64-W118 HydrophobicContact CG-CH2 3.64Å; P64-W118 HydrophobicContact CG-CZ2 3.47Å; P64-W118 VanDerWaalsContact CG-CZ2 3.47Å; P64-W118 HydrophobicContact CG-CZ3 4.37Å
65L98.5Very high95.7Very high0 Ų041.6 Ų41.60%021%0.209CC..EExtended strand (participates in β ladder)trans-106.8105.1169.1179.362.7000108.7V40 L42 A54 A58 I67 A106 I112 K116 I117 W118V40-L65 HydrophobicContact CB-CD1 3.86Å; V40-L65 HydrophobicContact CG1-CD1 3.81Å; V40-L65 CarbonylContact O-C 3.56Å; V40-L65 WeakPolarHBondContact O-CA 3.28Å; L42-L65 HydrophobicContact CB-CD1 4.09Å; A54-L65 HydrophobicContact CB-CD1 4.34Å; A58-L65 HydrophobicContact CB-CB 3.79Å; A58-L65 HydrophobicContact CB-CD1 4.28Å; A58-L65 HydrophobicContact CB-CG 4.43Å; L65-I67 HydrophobicContact CD2-CD1 3.93Å; L65-I67 HydrophobicContact CD2-CG1 4.07Å; L65-I67 HydrophobicContact CG-CD1 4.21Å; L65-I67 HydrophobicContact CG-CG1 3.79Å; L65-A106 HydrophobicContact CD2-CB 3.76Å; L65-I112 HydrophobicContact CD2-CD1 3.77Å; L65-K116 PolarHBondContact N-O 3.28Å; L65-I117 WeakPolarHBondContact O-CA 3.26Å; L65-W118 PolarHBondContact O-N 2.75Å
66L98.6Very high95.5Very high0 Ų045.9 Ų45.90%024%0.235CC..EExtended strand (participates in β ladder)trans-83.6124.2168.9-168.8161.6000108.8V40 I41 L42 W118 S133 L136 L137V40-L66 PolarHBondContact O-N 2.69Å; I41-L66 CarbonylContact C-O 3.52Å; I41-L66 VanDerWaalsContact CA-O 3.28Å; I41-L66 WeakPolarHBondContact CA-O 3.34Å; I41-L66 HydrophobicContact CG1-CB 4.24Å; I41-L66 HydrophobicContact CG2-CD2 4.07Å; L42-L66 PolarHBondContact N-O 2.63Å; L66-W118 CarbonylContact C-O 3.52Å; L66-W118 WeakPolarHBondContact CA-O 3.45Å; L66-W118 HydrophobicContact CB-CB 4.3Å; L66-W118 HydrophobicContact CB-CE3 4.26Å; L66-W118 HydrophobicContact CD1-CE3 4.29Å; L66-W118 HydrophobicContact CG-CB 4.25Å; L66-S133 WeakPolarHBondContact CD2-OG 3.39Å; L66-L136 HydrophobicContact CD1-CB 4.16Å; L66-L136 HydrophobicContact CD1-CD2 3.95Å; L66-L136 HydrophobicContact CD1-CG 4.17Å; L66-L136 HydrophobicContact CG-CD2 4.01Å; L66-L137 HydrophobicContact CD1-CD2 3.88Å; L66-L137 HydrophobicContact CD1-CG 3.85Å
67I98.6Very high95.4Very high0 Ų045.5 Ų45.50%023%0.234CC..EExtended strand (participates in β ladder)trans-115.5122.3177.7-48.2179.1000108.4L42 L65 A99 L102 A103 A106 I117 W118 E120L42-I67 HydrophobicContact CD2-CG2 4.45Å; L42-I67 HydrophobicContact CG-CG2 4.49Å; L42-I67 WeakPolarHBondContact O-CA 3.42Å; L65-I67 HydrophobicContact CD2-CD1 3.93Å; L65-I67 HydrophobicContact CD2-CG1 4.07Å; L65-I67 HydrophobicContact CG-CD1 4.21Å; L65-I67 HydrophobicContact CG-CG1 3.79Å; I67-A99 HydrophobicContact CB-CB 4.29Å; I67-A99 HydrophobicContact CG2-CB 3.87Å; I67-L102 HydrophobicContact CD1-CB 4.24Å; I67-L102 HydrophobicContact CG2-CB 3.72Å; I67-L102 HydrophobicContact CG2-CD1 3.91Å; I67-L102 HydrophobicContact CG2-CG 4.46Å; I67-A103 HydrophobicContact CD1-CB 4.05Å; I67-A106 HydrophobicContact CD1-CB 4.34Å; I67-I117 HydrophobicContact CD1-CG2 3.89Å; I67-I117 HydrophobicContact CG1-CG2 4.41Å; I67-W118 PolarHBondContact N-O 2.81Å; I67-E120 PolarHBondContact O-N 2.96Å
68S98.3Very high95.4Very high0 Ų045 Ų450%023%0.231CC..EExtended strand (participates in β ladder)trans-120122.6-178.7172.90000111.3L42 A43 G44 E120 S123 N129 S133L42-S68 PolarHBondContact O-N 3.25Å; A43-S68 CarbonylContact C-O 3.55Å; A43-S68 WeakPolarHBondContact CA-O 3.48Å; G44-S68 PolarHBondContact N-O 3.11Å; S68-E120 CarbonylContact C-O 3.56Å; S68-E120 WeakPolarHBondContact CA-O 3.47Å; S68-E120 PolarHBondContact OG-OE2 2.76Å; S68-S123 PolarHBondContact OG-OG 3.01Å; S68-N129 PolarHBondContact O-ND2 2.75Å; S68-N129 VanDerWaalsContact O-ND2 3.13Å; S68-N129 WeakPolarHBondContact OG-CA 3.41Å; S68-N129 PolarHBondContact OG-ND2 3.39Å; S68-N129 VanDerWaalsContact OG-ND2 3.07Å; S68-N129 PolarHBondContact OG-O 3.27Å; S68-S133 VanDerWaalsContact CB-OG 3.29Å; S68-S133 WeakPolarHBondContact CB-OG 3.24Å
69G97.7Very high95.3Very high1 Ų146.7 Ų46.71%0.0124%0.238CC..  trans167.1118.4179.100000112.5E98 A99 E120 S123G69-E98 PolarHBondContact O-N 3.38Å; G69-A99 WeakPolarHBondContact O-CB 3.43Å; G69-A99 PolarHBondContact O-N 2.73Å; G69-E120 PolarHBondContact N-O 2.76Å; G69-S123 WeakPolarHBondContact CA-OG 3.23Å; G69-S123 PolarHBondContact N-OG 3.39Å
70G96.8Very high95.3Very high3 Ų344.5 Ų44.53%0.03124%0.237CC..  trans-90.9-141.2172.800000113.3A97 E98 D121 S123G70-A97 WeakPolarHBondContact O-CA 3.47Å; G70-E98 WeakPolarHBondContact O-CG 3.28Å; G70-E98 PolarHBondContact O-N 2.96Å; G70-D121 WeakPolarHBondContact CA-O 3.49Å; G70-S123 WeakPolarHBondContact CA-O 3.48Å; G70-S123 PolarHBondContact N-O 3.41Å; G70-S123 PolarHBondContact N-OG 3.25Å
71I95.6Very high95.3Very high99 Ų9941.3 Ų41.351%0.50822%0.223SC..SBendtrans-106.3115.8172.4-59.2176.1000108T75 A97I71-T75 HydrophobicContact CG2-CG2 4.49Å; I71-A97 HydrophobicContact CG1-CB 4.41Å
72G90.1Very high95.3Very high25 Ų2539.3 Ų39.326%0.25821%0.213SC..  trans-143.9-166.7-178.400000113S74 T75G72-S74 PolarHBondContact O-N 3.27Å; G72-T75 PolarHBondContact N-OG1 3.17Å; G72-T75 WeakPolarHBondContact O-CB 3.5Å; G72-T75 PolarHBondContact O-N 3.25Å; G72-T75 PolarHBondContact O-OG1 2.85Å
73H85.9Confident95.3Very high178 Ų17835.7 Ų35.782%0.82421%0.208SC*.THydrogen-bonded Turntrans-61.6-26.8-174.4-62.889.9000113.9
74S85.4Confident95.3Very high42 Ų4242.2 Ų42.229%0.29424%0.239SC..THydrogen-bonded Turntrans-93.7-8.8-176.5-68.60000114G72 T76 F77 L78G72-S74 PolarHBondContact O-N 3.27Å; S74-T76 VanDerWaalsContact C-N 3.34Å; S74-T76 PolarHBondContact O-N 3.23Å; S74-F77 WeakPolarHBondContact O-CB 3.07Å; S74-F77 PolarHBondContact O-N 3.3Å; S74-L78 PolarHBondContact O-N 2.87Å
75T93.3Very high95.2Very high3 Ų341.8 Ų41.82%0.01823%0.234CC..Hα-helixtrans-65-36.7-167.6-57.20000113I71 G72 F77 L78 Y79 E98I71-T75 HydrophobicContact CG2-CG2 4.49Å; G72-T75 PolarHBondContact N-OG1 3.17Å; G72-T75 WeakPolarHBondContact O-CB 3.5Å; G72-T75 PolarHBondContact O-N 3.25Å; G72-T75 PolarHBondContact O-OG1 2.85Å; T75-F77 PolarHBondContact O-N 2.78Å; T75-L78 WeakPolarHBondContact O-CB 3.24Å; T75-L78 PolarHBondContact O-N 2.7Å; T75-L78 VanDerWaalsContact O-N 3.16Å; T75-Y79 HydrophobicContact CG2-CD1 4.1Å; T75-Y79 HydrophobicContact CG2-CE1 3.31Å; T75-Y79 HydrophobicContact CG2-CE2 4.32Å; T75-Y79 VanDerWaalsContact CG2-CZ 3.47Å; T75-Y79 WeakPolarHBondContact CG2-OH 3.25Å; T75-Y79 WeakPolarHBondContact O-CD1 3.28Å; T75-Y79 PolarHBondContact O-N 3.13Å; T75-E98 WeakPolarHBondContact CA-OE1 3.49Å; T75-E98 WeakPolarHBondContact CB-OE1 3.21Å; T75-E98 HydrophobicContact CG2-CG 3.91Å; T75-E98 PolarHBondContact N-OE1 3.25Å; T75-E98 VanDerWaalsContact N-OE1 3.13Å; T75-E98 PolarHBondContact OG1-OE1 2.99Å
76T94.7Very high95Very high90 Ų9044.9 Ų44.955%0.55225%0.254SS*.Hα-helixtrans-63.8-26.917653.50000113S74 Y79 S80S74-T76 VanDerWaalsContact C-N 3.34Å; S74-T76 PolarHBondContact O-N 3.23Å; T76-Y79 WeakPolarHBondContact O-CB 3.21Å; T76-Y79 PolarHBondContact O-N 3.18Å; T76-S80 PolarHBondContact O-N 2.94Å
77F94.8Very high94.9Very high88 Ų8850.9 Ų50.939%0.38628%0.282SS..Hα-helixtrans-75.2-35.6175.9-59.3-80.4000111.9A46 S74 T75 Y79 S80 A81 R207A46-F77 HydrophobicContact CB-CB 4.11Å; S74-F77 WeakPolarHBondContact O-CB 3.07Å; S74-F77 PolarHBondContact O-N 3.3Å; T75-F77 PolarHBondContact O-N 2.78Å; F77-Y79 VanDerWaalsContact C-N 3.32Å; F77-S80 PolarHBondContact O-N 3.03Å; F77-A81 WeakPolarHBondContact O-CB 3.46Å; F77-A81 PolarHBondContact O-N 3.3Å; F77-R207 VanDerWaalsContact CB-NH2 3.3Å
78L96.6Very high94.9Very high1 Ų151.5 Ų51.51%0.00528%0.284CS..Hα-helixtrans-61-44.9168.6173.260.9000110N45 A46 M48 I51 S74 T75 S80 A81 I82 E98 I101 L102N45-L78 WeakPolarHBondContact O-CD1 3.46Å; A46-L78 HydrophobicContact CB-CB 4.18Å; M48-L78 HydrophobicContact CE-CD1 3.82Å; I51-L78 HydrophobicContact CD1-CD1 4.34Å; S74-L78 PolarHBondContact O-N 2.87Å; T75-L78 WeakPolarHBondContact O-CB 3.24Å; T75-L78 PolarHBondContact O-N 2.7Å; T75-L78 VanDerWaalsContact O-N 3.16Å; L78-S80 VanDerWaalsContact C-N 3.31Å; L78-S80 PolarHBondContact O-N 3.19Å; L78-A81 PolarHBondContact O-N 2.95Å; L78-I82 HydrophobicContact CD1-CD1 4.12Å; L78-I82 HydrophobicContact CD1-CG1 3.67Å; L78-I82 HydrophobicContact CG-CG1 4.23Å; L78-I82 WeakPolarHBondContact O-CB 3.17Å; L78-I82 VanDerWaalsContact O-CG1 3.29Å; L78-I82 WeakPolarHBondContact O-CG1 3.29Å; L78-I82 PolarHBondContact O-N 3.31Å; L78-E98 HydrophobicContact CD2-CB 3.87Å; L78-E98 HydrophobicContact CD2-CG 3.82Å; L78-I101 HydrophobicContact CD2-CB 4.28Å; L78-I101 HydrophobicContact CD2-CD1 4.37Å; L78-I101 HydrophobicContact CD2-CG2 4.14Å; L78-I101 HydrophobicContact CG-CG2 4.46Å; L78-L102 HydrophobicContact CD1-CD2 4.06Å; L78-L102 HydrophobicContact CD2-CD2 4.2Å; L78-L102 HydrophobicContact CD2-CG 4.23Å
79Y97.2Very high94.8Very high37 Ų3755.4 Ų55.415%0.14531%0.305CS..Hα-helixtrans-57.8-46.3178.9-63.30.6000111.6T75 T76 F77 I82 A83 T93 G95 R96 I101T75-Y79 HydrophobicContact CG2-CD1 4.1Å; T75-Y79 HydrophobicContact CG2-CE1 3.31Å; T75-Y79 HydrophobicContact CG2-CE2 4.32Å; T75-Y79 VanDerWaalsContact CG2-CZ 3.47Å; T75-Y79 WeakPolarHBondContact CG2-OH 3.25Å; T75-Y79 WeakPolarHBondContact O-CD1 3.28Å; T75-Y79 PolarHBondContact O-N 3.13Å; T76-Y79 WeakPolarHBondContact O-CB 3.21Å; T76-Y79 PolarHBondContact O-N 3.18Å; F77-Y79 VanDerWaalsContact C-N 3.32Å; Y79-I82 PolarHBondContact O-N 2.88Å; Y79-A83 WeakPolarHBondContact O-CB 3.36Å; Y79-A83 PolarHBondContact O-N 2.94Å; Y79-T93 HydrophobicContact CD1-CG2 4.28Å; Y79-T93 WeakPolarHBondContact CE1-O 3.29Å; Y79-T93 PolarHBondContact OH-O 3.35Å; Y79-G95 PolarHBondContact OH-N 3.06Å; Y79-R96 PolarHBondContact OH-N 3.39Å; Y79-R96 VanDerWaalsContact OH-N 3.09Å; Y79-R96 PolarHBondContact OH-O 3.01Å; Y79-I101 HydrophobicContact CD1-CD1 3.71Å; Y79-I101 HydrophobicContact CE1-CD1 3.29Å
80S95.9Very high94.8Very high53 Ų5360 Ų6037%0.37133%0.333SS..Hα-helixtrans-63.4-43.5177.5-176.20000112.1T76 F77 L78 A83 Q84T76-S80 PolarHBondContact O-N 2.94Å; F77-S80 PolarHBondContact O-N 3.03Å; L78-S80 VanDerWaalsContact C-N 3.31Å; L78-S80 PolarHBondContact O-N 3.19Å; S80-A83 PolarHBondContact O-N 2.78Å; S80-Q84 VanDerWaalsContact O-CG 3.3Å; S80-Q84 WeakPolarHBondContact O-CG 3.34Å; S80-Q84 PolarHBondContact O-N 2.77Å; S80-Q84 VanDerWaalsContact O-N 3.16Å; S80-Q84 PolarHBondContact OG-NE2 3.19Å
81A96.1Very high94.9Very high18 Ų1860.3 Ų60.315%0.14933%0.334CS..Hα-helixtrans-64.3-42.1179.800000111.5A46 M48 F77 L78 Q84 H85A46-A81 HydrophobicContact CB-CB 4.43Å; M48-A81 HydrophobicContact CE-CB 3.78Å; F77-A81 WeakPolarHBondContact O-CB 3.46Å; F77-A81 PolarHBondContact O-N 3.3Å; L78-A81 PolarHBondContact O-N 2.95Å; A81-Q84 PolarHBondContact O-N 2.88Å; A81-H85 PolarHBondContact O-N 3.15Å
82I97.1Very high94.9Very high1 Ų165.8 Ų65.81%0.00535%0.348CS..Hα-helixtrans-64.1-45.6175.9-66.6-65.5000111.5M48 L78 Y79 Q84 H85 Y88 N89 I91 T93 I101 I105M48-I82 HydrophobicContact CE-CD1 4.02Å; M48-I82 HydrophobicContact CE-CG1 4.47Å; M48-I82 HydrophobicContact SD-CD1 3.79Å; L78-I82 HydrophobicContact CD1-CD1 4.12Å; L78-I82 HydrophobicContact CD1-CG1 3.67Å; L78-I82 HydrophobicContact CG-CG1 4.23Å; L78-I82 WeakPolarHBondContact O-CB 3.17Å; L78-I82 VanDerWaalsContact O-CG1 3.29Å; L78-I82 WeakPolarHBondContact O-CG1 3.29Å; L78-I82 PolarHBondContact O-N 3.31Å; Y79-I82 PolarHBondContact O-N 2.88Å; I82-Q84 PolarHBondContact O-N 2.79Å; I82-H85 WeakPolarHBondContact O-CB 3.37Å; I82-H85 PolarHBondContact O-N 3.13Å; I82-H85 VanDerWaalsContact O-N 3.09Å; I82-Y88 HydrophobicContact CD1-CD2 4.06Å; I82-Y88 HydrophobicContact CD1-CG 4.38Å; I82-Y88 VanDerWaalsContact CG2-O 3.23Å; I82-Y88 WeakPolarHBondContact CG2-O 3.31Å; I82-N89 VanDerWaalsContact O-CA 3.24Å; I82-N89 WeakPolarHBondContact O-CA 3.5Å; I82-N89 PolarHBondContact O-N 2.73Å; I82-I91 HydrophobicContact CG2-CB 4.2Å; I82-T93 HydrophobicContact CB-CG2 3.99Å; I82-T93 HydrophobicContact CG1-CG2 4.48Å; I82-T93 HydrophobicContact CG2-CG2 3.71Å; I82-I101 HydrophobicContact CG1-CG2 4.24Å; I82-I105 HydrophobicContact CD1-CD1 3.42Å; I82-I105 VanDerWaalsContact CD1-CD1 3.42Å; I82-I105 HydrophobicContact CD1-CG1 4.26Å
83A96.6Very high95.3Very high68 Ų6865.6 Ų65.656%0.56234%0.342SS*.Hα-helixtrans-60.7-29.3178.500000113.1Y79 S80Y79-A83 WeakPolarHBondContact O-CB 3.36Å; Y79-A83 PolarHBondContact O-N 2.94Å; S80-A83 PolarHBondContact O-N 2.78Å
84Q95Very high95.7Very high152 Ų15263.2 Ų63.271%0.7134%0.34SS*.Hα-helixtrans-89.9-14.6178.2-66.8173.138.100113.3S80 A81 I82S80-Q84 VanDerWaalsContact O-CG 3.3Å; S80-Q84 WeakPolarHBondContact O-CG 3.34Å; S80-Q84 PolarHBondContact O-N 2.77Å; S80-Q84 VanDerWaalsContact O-N 3.16Å; S80-Q84 PolarHBondContact OG-NE2 3.19Å; A81-Q84 PolarHBondContact O-N 2.88Å; I82-Q84 PolarHBondContact O-N 2.79Å
85H96.6Very high96.2Very high19 Ų1964 Ų649%0.08836%0.355CS..SBendtrans-71.6134.1-176-164.6-106.3000110.8A81 I82 H87 Y88 N89A81-H85 PolarHBondContact O-N 3.15Å; I82-H85 WeakPolarHBondContact O-CB 3.37Å; I82-H85 PolarHBondContact O-N 3.13Å; I82-H85 VanDerWaalsContact O-N 3.09Å; H85-H87 PolarHBondContact ND1-N 2.78Å; H85-H87 PolarHBondContact O-N 3.31Å; H85-H87 VanDerWaalsContact O-N 3.16Å; H85-Y88 HydrophobicContact CB-CD2 4.38Å; H85-Y88 HydrophobicContact CB-CG 4.43Å; H85-Y88 AromaticContact CE1-CD2 3.54Å; H85-Y88 AromaticContact CE1-CE2 3.54Å; H85-Y88 AromaticContact CE1-CG 3.83Å; H85-Y88 AromaticContact CE1-CZ 3.82Å; H85-Y88 AromaticContact CG-CD2 3.71Å; H85-Y88 AromaticContact CG-CG 3.95Å; H85-Y88 AromaticContact ND1-CD1 3.69Å; H85-Y88 AromaticContact ND1-CD2 3.18Å; H85-Y88 WeakPolarHBondContact ND1-CD2 3.4Å; H85-Y88 AromaticContact ND1-CE2 3.7Å; H85-Y88 AromaticContact ND1-CG 3.17Å; H85-Y88 PolarHBondContact ND1-N 3.38Å; H85-Y88 VanDerWaalsContact ND1-N 3.16Å; H85-N89 VanDerWaalsContact O-CB 3.27Å; H85-N89 WeakPolarHBondContact O-CB 3.11Å; H85-N89 PolarHBondContact O-N 2.81Å; H85-N89 PolarHBondContact O-ND2 2.71Å
86P95.3Very high96.4Very high65 Ų6566.8 Ų66.842%0.42237%0.365SS..THydrogen-bonded Turntrans-61.4-28.4-176.122.5-34.5000113.9N89P86-N89 PolarHBondContact O-ND2 2.9Å; P86-N89 VanDerWaalsContact O-ND2 3.08Å
87H96.3Very high96.5Very high126 Ų12663 Ų6358%0.58334%0.344SS*.THydrogen-bonded Turntrans-108.3-36.4-177.9-59.7-57.7000113.6H85 N89 F109H85-H87 PolarHBondContact ND1-N 2.78Å; H85-H87 PolarHBondContact O-N 3.31Å; H85-H87 VanDerWaalsContact O-N 3.16Å; H87-N89 VanDerWaalsContact C-N 3.35Å; H87-F109 HydrophobicContact CB-CD1 4.32Å; H87-F109 HydrophobicContact CB-CE1 4.08Å; H87-F109 WeakPolarHBondContact O-CE1 3.28Å; H87-F109 WeakPolarHBondContact O-CZ 3.43Å
88Y97.6Very high96.7Very high12 Ų1259.5 Ų59.55%0.04733%0.328CS..G310 helixtrans-86.8-7.6-171.5-54.1-24.5000112.9M48 D52 I82 H85 T90 I91 I105 F109 W110M48-Y88 HydrophobicContact SD-CD2 3.81Å; M48-Y88 HydrophobicContact SD-CE2 4.18Å; D52-Y88 PolarHBondContact OD1-OH 3.39Å; I82-Y88 HydrophobicContact CD1-CD2 4.06Å; I82-Y88 HydrophobicContact CD1-CG 4.38Å; I82-Y88 VanDerWaalsContact CG2-O 3.23Å; I82-Y88 WeakPolarHBondContact CG2-O 3.31Å; H85-Y88 HydrophobicContact CB-CD2 4.38Å; H85-Y88 HydrophobicContact CB-CG 4.43Å; H85-Y88 AromaticContact CE1-CD2 3.54Å; H85-Y88 AromaticContact CE1-CE2 3.54Å; H85-Y88 AromaticContact CE1-CG 3.83Å; H85-Y88 AromaticContact CE1-CZ 3.82Å; H85-Y88 AromaticContact CG-CD2 3.71Å; H85-Y88 AromaticContact CG-CG 3.95Å; H85-Y88 AromaticContact ND1-CD1 3.69Å; H85-Y88 AromaticContact ND1-CD2 3.18Å; H85-Y88 WeakPolarHBondContact ND1-CD2 3.4Å; H85-Y88 AromaticContact ND1-CE2 3.7Å; H85-Y88 AromaticContact ND1-CG 3.17Å; H85-Y88 PolarHBondContact ND1-N 3.38Å; H85-Y88 VanDerWaalsContact ND1-N 3.16Å; Y88-T90 PolarHBondContact O-N 3.32Å; Y88-I91 WeakPolarHBondContact O-CB 3.47Å; Y88-I91 PolarHBondContact O-N 2.95Å; Y88-I105 HydrophobicContact CD1-CG2 4.39Å; Y88-I105 HydrophobicContact CD2-CD1 4.07Å; Y88-I105 HydrophobicContact CD2-CG1 4.27Å; Y88-I105 HydrophobicContact CD2-CG2 4.2Å; Y88-I105 HydrophobicContact CE1-CG2 3.97Å; Y88-I105 HydrophobicContact CE2-CD1 4.43Å; Y88-I105 HydrophobicContact CE2-CG2 3.74Å; Y88-I105 HydrophobicContact CG-CG1 4.32Å; Y88-F109 HydrophobicContact CD1-CB 4.31Å; Y88-F109 AromaticContact CD1-CD1 3.69Å; Y88-F109 HydrophobicContact CD1-CD1 3.69Å; Y88-F109 AromaticContact CD1-CD2 3.7Å; Y88-F109 HydrophobicContact CD1-CD2 3.7Å; Y88-F109 AromaticContact CD1-CE1 3.83Å; Y88-F109 HydrophobicContact CD1-CE1 3.83Å; Y88-F109 AromaticContact CD1-CE2 3.86Å; Y88-F109 HydrophobicContact CD1-CE2 3.86Å; Y88-F109 AromaticContact CD1-CG 3.61Å; Y88-F109 HydrophobicContact CD1-CG 3.61Å; Y88-F109 AromaticContact CD1-CZ 3.9Å; Y88-F109 HydrophobicContact CD1-CZ 3.9Å; Y88-F109 HydrophobicContact CE1-CB 3.62Å; Y88-F109 AromaticContact CE1-CD1 3.65Å; Y88-F109 HydrophobicContact CE1-CD1 3.65Å; Y88-F109 AromaticContact CE1-CD2 3.89Å; Y88-F109 HydrophobicContact CE1-CD2 3.89Å; Y88-F109 HydrophobicContact CE1-CE1 4.26Å; Y88-F109 HydrophobicContact CE1-CE2 4.49Å; Y88-F109 AromaticContact CE1-CG 3.42Å; Y88-F109 HydrophobicContact CE1-CG 3.42Å; Y88-F109 VanDerWaalsContact CE1-CG 3.42Å; Y88-W110 PolarHBondContact OH-NE1 3.04Å
89N97Very high96.8Very high83 Ų8359.5 Ų59.544%0.44433%0.328SS..G310 helixtrans-58.5-11.7179.962.651.2000115I82 H85 P86 H87I82-N89 VanDerWaalsContact O-CA 3.24Å; I82-N89 WeakPolarHBondContact O-CA 3.5Å; I82-N89 PolarHBondContact O-N 2.73Å; H85-N89 VanDerWaalsContact O-CB 3.27Å; H85-N89 WeakPolarHBondContact O-CB 3.11Å; H85-N89 PolarHBondContact O-N 2.81Å; H85-N89 PolarHBondContact O-ND2 2.71Å; P86-N89 PolarHBondContact O-ND2 2.9Å; P86-N89 VanDerWaalsContact O-ND2 3.08Å; H87-N89 VanDerWaalsContact C-N 3.35Å
90T97.4Very high96.8Very high96 Ų9659.5 Ų59.559%0.58933%0.332SS*.G310 helixtrans-80.4-17.4175.160.40000113.2Y88Y88-T90 PolarHBondContact O-N 3.32Å
91I97.8Very high97Very high11 Ų1157 Ų576%0.05632%0.315CS..SBendtrans-73.8129178.4-60.9175.6000109.6I82 Y88 I101 D104 I105 F109I82-I91 HydrophobicContact CG2-CB 4.2Å; Y88-I91 WeakPolarHBondContact O-CB 3.47Å; Y88-I91 PolarHBondContact O-N 2.95Å; I91-I101 HydrophobicContact CG2-CG2 4.13Å; I91-D104 HydrophobicContact CD1-CB 4.01Å; I91-D104 HydrophobicContact CG1-CB 4.33Å; I91-D104 HydrophobicContact CG2-CB 4.06Å; I91-I105 HydrophobicContact CD1-CB 4.25Å; I91-I105 HydrophobicContact CD1-CD1 4.43Å; I91-I105 HydrophobicContact CD1-CG1 3.31Å; I91-F109 HydrophobicContact CD1-CD2 4.3Å; I91-F109 HydrophobicContact CD1-CE2 3.73Å; I91-F109 HydrophobicContact CG1-CE2 3.89Å
92R97Very high97.1Very high214 Ų21456.1 Ų56.181%0.80831%0.307SS*.  trans-73.7130.1173.7-64-177.7-179.1-178.80.5110R96R92-R96 VanDerWaalsContact O-CD 3.24Å; R92-R96 WeakPolarHBondContact O-CD 3.28Å; R92-R96 PolarHBondContact O-NH1 3.25Å
93T97.4Very high97.2Very high21 Ų2156.5 Ų56.513%0.12931%0.31CS..  trans-114.8-38.8-173.753.20000114.2Y79 I82 G95 R96 I101Y79-T93 HydrophobicContact CD1-CG2 4.28Å; Y79-T93 WeakPolarHBondContact CE1-O 3.29Å; Y79-T93 PolarHBondContact OH-O 3.35Å; I82-T93 HydrophobicContact CB-CG2 3.99Å; I82-T93 HydrophobicContact CG1-CG2 4.48Å; I82-T93 HydrophobicContact CG2-CG2 3.71Å; T93-G95 PolarHBondContact O-N 3.38Å; T93-R96 WeakPolarHBondContact O-CB 3.48Å; T93-R96 PolarHBondContact O-N 2.92Å; T93-R96 VanDerWaalsContact O-N 3.1Å; T93-I101 HydrophobicContact CG2-CD1 4.1Å; T93-I101 HydrophobicContact CG2-CG2 4.27Å
94T95Very high97.3Very high128 Ų12854.8 Ų54.879%0.78529%0.292SS*.THydrogen-bonded Turntrans-51.9122.1-170.8-52.50000113.7R96T94-R96 VanDerWaalsContact C-N 3.29Å; T94-R96 PolarHBondContact O-N 3.07Å
95G95.5Very high97.4Very high59 Ų5947.5 Ų47.561%0.60826%0.258SS*.THydrogen-bonded Turntrans76.99.6174.400000114.7Y79 T93Y79-G95 PolarHBondContact OH-N 3.06Å; T93-G95 PolarHBondContact O-N 3.38Å
96R97.7Very high97.5Very high61 Ų6146.6 Ų46.623%0.2325%0.254CS..  trans-103.6147.6179.9-59.6176.268.3-165.33.7111.7Y79 R92 T93 T94 T100 I101 D104Y79-R96 PolarHBondContact OH-N 3.39Å; Y79-R96 VanDerWaalsContact OH-N 3.09Å; Y79-R96 PolarHBondContact OH-O 3.01Å; R92-R96 VanDerWaalsContact O-CD 3.24Å; R92-R96 WeakPolarHBondContact O-CD 3.28Å; R92-R96 PolarHBondContact O-NH1 3.25Å; T93-R96 WeakPolarHBondContact O-CB 3.48Å; T93-R96 PolarHBondContact O-N 2.92Å; T93-R96 VanDerWaalsContact O-N 3.1Å; T94-R96 VanDerWaalsContact C-N 3.29Å; T94-R96 PolarHBondContact O-N 3.07Å; R96-T100 VanDerWaalsContact NH2-CG2 3.27Å; R96-T100 PolarHBondContact NH2-O 3.11Å; R96-I101 HydrophobicContact CB-CD1 4.05Å; R96-I101 HydrophobicContact CB-CG1 3.95Å; R96-D104 IonicContact CZ-OD2 3.81Å; R96-D104 IonicContact NH1-OD2 2.64Å; R96-D104 PolarHBondContact NH1-OD2 3.26Å; R96-D104 IonicContact NH2-OD1 3.15Å; R96-D104 IonicContact NH2-OD2 3.59Å; R96-D104 PolarHBondContact NH2-OD2 3.03Å
97A97.7Very high97.7Very high11 Ų1146.4 Ų46.49%0.09125%0.247CC..  trans-62.4148.8170.600000111.8G70 I71 A99 T100 I101 D121G70-A97 WeakPolarHBondContact O-CA 3.47Å; I71-A97 HydrophobicContact CG1-CB 4.41Å; A97-A99 VanDerWaalsContact C-N 3.31Å; A97-A99 PolarHBondContact O-N 3.46Å; A97-T100 PolarHBondContact O-N 3.3Å; A97-I101 PolarHBondContact O-N 2.78Å; A97-D121 HydrophobicContact CB-CB 3.7Å
98E98.2Very high97.8Very high14 Ų1444.8 Ų44.87%0.06524%0.24CC..Hα-helixtrans-56-45.9178.4-67.2177.1-172.400111G44 G69 G70 T75 L78 T100 I101 L102G44-E98 VanDerWaalsContact C-OE2 3.22Å; G44-E98 WeakPolarHBondContact CA-OE2 3.4Å; G69-E98 PolarHBondContact O-N 3.38Å; G70-E98 WeakPolarHBondContact O-CG 3.28Å; G70-E98 PolarHBondContact O-N 2.96Å; T75-E98 WeakPolarHBondContact CA-OE1 3.49Å; T75-E98 WeakPolarHBondContact CB-OE1 3.21Å; T75-E98 HydrophobicContact CG2-CG 3.91Å; T75-E98 PolarHBondContact N-OE1 3.25Å; T75-E98 VanDerWaalsContact N-OE1 3.13Å; T75-E98 PolarHBondContact OG1-OE1 2.99Å; L78-E98 HydrophobicContact CD2-CB 3.87Å; L78-E98 HydrophobicContact CD2-CG 3.82Å; E98-T100 VanDerWaalsContact C-N 3.31Å; E98-T100 PolarHBondContact O-N 2.8Å; E98-I101 PolarHBondContact O-N 3.26Å; E98-I101 VanDerWaalsContact O-N 3.11Å; E98-L102 WeakPolarHBondContact O-CB 3.38Å; E98-L102 VanDerWaalsContact O-CG 3.25Å; E98-L102 WeakPolarHBondContact O-CG 3.31Å; E98-L102 PolarHBondContact O-N 3.08Å
99A98.3Very high97.8Very high0 Ų047.1 Ų47.10%025%0.25CS..Hα-helixtrans-61.4-37.7-17800000112.9I67 G69 A97 A103 I119 E120 D121I67-A99 HydrophobicContact CB-CB 4.29Å; I67-A99 HydrophobicContact CG2-CB 3.87Å; G69-A99 WeakPolarHBondContact O-CB 3.43Å; G69-A99 PolarHBondContact O-N 2.73Å; A97-A99 VanDerWaalsContact C-N 3.31Å; A97-A99 PolarHBondContact O-N 3.46Å; A99-A103 VanDerWaalsContact O-CB 3.24Å; A99-A103 WeakPolarHBondContact O-CB 3.29Å; A99-A103 PolarHBondContact O-N 2.79Å; A99-I119 HydrophobicContact CB-CG2 3.98Å; A99-E120 VanDerWaalsContact CB-O 3.28Å; A99-E120 WeakPolarHBondContact CB-O 3.46Å; A99-D121 HydrophobicContact CB-CB 4.42Å
100T98.3Very high97.9Very high38 Ų3844.8 Ų44.823%0.23324%0.235CC..Hα-helixtrans-69-37177.2-33.90000111.8R96 A97 E98 D104R96-T100 VanDerWaalsContact NH2-CG2 3.27Å; R96-T100 PolarHBondContact NH2-O 3.11Å; A97-T100 PolarHBondContact O-N 3.3Å; E98-T100 VanDerWaalsContact C-N 3.31Å; E98-T100 PolarHBondContact O-N 2.8Å; T100-D104 PolarHBondContact O-N 2.76Å
101I98.5Very high97.9Very high0 Ų047 Ų470%024%0.239CC..Hα-helixtrans-68.1-46.3176.5-66.9165.3000110.1L78 Y79 I82 I91 T93 R96 A97 E98 A103 D104 I105L78-I101 HydrophobicContact CD2-CB 4.28Å; L78-I101 HydrophobicContact CD2-CD1 4.37Å; L78-I101 HydrophobicContact CD2-CG2 4.14Å; L78-I101 HydrophobicContact CG-CG2 4.46Å; Y79-I101 HydrophobicContact CD1-CD1 3.71Å; Y79-I101 HydrophobicContact CE1-CD1 3.29Å; I82-I101 HydrophobicContact CG1-CG2 4.24Å; I91-I101 HydrophobicContact CG2-CG2 4.13Å; T93-I101 HydrophobicContact CG2-CD1 4.1Å; T93-I101 HydrophobicContact CG2-CG2 4.27Å; R96-I101 HydrophobicContact CB-CD1 4.05Å; R96-I101 HydrophobicContact CB-CG1 3.95Å; A97-I101 PolarHBondContact O-N 2.78Å; E98-I101 PolarHBondContact O-N 3.26Å; E98-I101 VanDerWaalsContact O-N 3.11Å; I101-A103 VanDerWaalsContact C-N 3.29Å; I101-A103 PolarHBondContact O-N 3Å; I101-D104 WeakPolarHBondContact O-CB 3.29Å; I101-D104 PolarHBondContact O-N 3.01Å; I101-D104 VanDerWaalsContact O-N 3.15Å; I101-I105 PolarHBondContact O-N 3.39Å
102L98.6Very high98Very high0 Ų046.7 Ų46.70%024%0.237CC..Hα-helixtrans-65.8-32.8178.9-65178.8000111.7L42 I51 I67 L78 E98 D104 I105 A106L42-L102 HydrophobicContact CD2-CB 4.43Å; L42-L102 HydrophobicContact CD2-CD1 4.06Å; L42-L102 HydrophobicContact CG-CD1 4.3Å; I51-L102 HydrophobicContact CD1-CD2 3.45Å; I51-L102 VanDerWaalsContact CD1-CD2 3.45Å; I51-L102 HydrophobicContact CG1-CD2 3.77Å; I51-L102 HydrophobicContact CG2-CD2 3.94Å; I67-L102 HydrophobicContact CD1-CB 4.24Å; I67-L102 HydrophobicContact CG2-CB 3.72Å; I67-L102 HydrophobicContact CG2-CD1 3.91Å; I67-L102 HydrophobicContact CG2-CG 4.46Å; L78-L102 HydrophobicContact CD1-CD2 4.06Å; L78-L102 HydrophobicContact CD2-CD2 4.2Å; L78-L102 HydrophobicContact CD2-CG 4.23Å; E98-L102 WeakPolarHBondContact O-CB 3.38Å; E98-L102 VanDerWaalsContact O-CG 3.25Å; E98-L102 WeakPolarHBondContact O-CG 3.31Å; E98-L102 PolarHBondContact O-N 3.08Å; L102-D104 VanDerWaalsContact C-N 3.34Å; L102-I105 HydrophobicContact CD2-CD1 3.84Å; L102-I105 WeakPolarHBondContact O-CB 3.35Å; L102-I105 PolarHBondContact O-N 3.05Å; L102-A106 WeakPolarHBondContact O-CB 3.16Å; L102-A106 PolarHBondContact O-N 3.15Å
103A98.7Very high98Very high8 Ų838.9 Ų38.97%0.06621%0.214CC..Hα-helixtrans-63-38171.500000112.6I67 A99 I101 I105 A106 H107 I117 I119I67-A103 HydrophobicContact CD1-CB 4.05Å; A99-A103 VanDerWaalsContact O-CB 3.24Å; A99-A103 WeakPolarHBondContact O-CB 3.29Å; A99-A103 PolarHBondContact O-N 2.79Å; I101-A103 VanDerWaalsContact C-N 3.29Å; I101-A103 PolarHBondContact O-N 3Å; A103-I105 VanDerWaalsContact C-N 3.32Å; A103-I105 PolarHBondContact O-N 3.43Å; A103-A106 PolarHBondContact O-N 3.5Å; A103-H107 WeakPolarHBondContact O-CB 3.41Å; A103-H107 PolarHBondContact O-N 3.3Å; A103-I117 HydrophobicContact CB-CG2 3.85Å; A103-I119 HydrophobicContact CB-CD1 3.56Å; A103-I119 HydrophobicContact CB-CG1 4.01Å
104D98.6Very high98Very high32 Ų3243.5 Ų43.517%0.17123%0.234CC..Hα-helixtrans-64.1-38.7173.5-74.2-18.6000111.4I91 R96 T100 I101 L102 Q108I91-D104 HydrophobicContact CD1-CB 4.01Å; I91-D104 HydrophobicContact CG1-CB 4.33Å; I91-D104 HydrophobicContact CG2-CB 4.06Å; R96-D104 IonicContact CZ-OD2 3.81Å; R96-D104 IonicContact NH1-OD2 2.64Å; R96-D104 PolarHBondContact NH1-OD2 3.26Å; R96-D104 IonicContact NH2-OD1 3.15Å; R96-D104 IonicContact NH2-OD2 3.59Å; R96-D104 PolarHBondContact NH2-OD2 3.03Å; T100-D104 PolarHBondContact O-N 2.76Å; I101-D104 WeakPolarHBondContact O-CB 3.29Å; I101-D104 PolarHBondContact O-N 3.01Å; I101-D104 VanDerWaalsContact O-N 3.15Å; L102-D104 VanDerWaalsContact C-N 3.34Å; D104-Q108 WeakPolarHBondContact O-CB 3.49Å; D104-Q108 VanDerWaalsContact O-CG 3.26Å; D104-Q108 WeakPolarHBondContact O-CG 3.48Å; D104-Q108 PolarHBondContact O-N 3.16Å
105I98.6Very high98.1Very high0 Ų044.3 Ų44.30%023%0.229CC..Hα-helixtrans-60.8-52.9174.1-61.4169.5000110.1I51 I82 Y88 I91 I101 L102 A103 H107 F109 W110I51-I105 HydrophobicContact CG2-CD1 4.21Å; I51-I105 HydrophobicContact CG2-CG2 4.23Å; I82-I105 HydrophobicContact CD1-CD1 3.42Å; I82-I105 VanDerWaalsContact CD1-CD1 3.42Å; I82-I105 HydrophobicContact CD1-CG1 4.26Å; Y88-I105 HydrophobicContact CD1-CG2 4.39Å; Y88-I105 HydrophobicContact CD2-CD1 4.07Å; Y88-I105 HydrophobicContact CD2-CG1 4.27Å; Y88-I105 HydrophobicContact CD2-CG2 4.2Å; Y88-I105 HydrophobicContact CE1-CG2 3.97Å; Y88-I105 HydrophobicContact CE2-CD1 4.43Å; Y88-I105 HydrophobicContact CE2-CG2 3.74Å; Y88-I105 HydrophobicContact CG-CG1 4.32Å; I91-I105 HydrophobicContact CD1-CB 4.25Å; I91-I105 HydrophobicContact CD1-CD1 4.43Å; I91-I105 HydrophobicContact CD1-CG1 3.31Å; I101-I105 PolarHBondContact O-N 3.39Å; L102-I105 HydrophobicContact CD2-CD1 3.84Å; L102-I105 WeakPolarHBondContact O-CB 3.35Å; L102-I105 PolarHBondContact O-N 3.05Å; A103-I105 VanDerWaalsContact C-N 3.32Å; A103-I105 PolarHBondContact O-N 3.43Å; I105-H107 VanDerWaalsContact C-N 3.29Å; I105-H107 PolarHBondContact O-N 3.22Å; I105-F109 WeakPolarHBondContact O-CB 3.26Å; I105-F109 PolarHBondContact O-N 2.94Å; I105-W110 PolarHBondContact O-N 3.2Å
106A98.7Very high98.2Very high0 Ų044.6 Ų44.60%021%0.213CC..Hα-helixtrans-56.2-43.2-179.100000112.1L65 I67 L102 A103 W110 H111 I112 I117L65-A106 HydrophobicContact CD2-CB 3.76Å; I67-A106 HydrophobicContact CD1-CB 4.34Å; L102-A106 WeakPolarHBondContact O-CB 3.16Å; L102-A106 PolarHBondContact O-N 3.15Å; A103-A106 PolarHBondContact O-N 3.5Å; A106-W110 CarbonylContact O-C 3.58Å; A106-W110 WeakPolarHBondContact O-CA 3.39Å; A106-W110 VanDerWaalsContact O-CB 3.28Å; A106-W110 WeakPolarHBondContact O-CB 3.38Å; A106-W110 PolarHBondContact O-N 2.91Å; A106-H111 PolarHBondContact O-N 3.33Å; A106-I112 HydrophobicContact CB-CD1 4.14Å; A106-I112 PolarHBondContact O-N 3.35Å; A106-I117 HydrophobicContact CB-CD1 3.94Å
107H98.7Very high98.2Very high61 Ų6142.4 Ų42.428%0.28221%0.206SC..Hα-helixtrans-77.4-54.7-179.6-175.258.4000112.7A103 I105 H111 I112 H114 I117A103-H107 WeakPolarHBondContact O-CB 3.41Å; A103-H107 PolarHBondContact O-N 3.3Å; I105-H107 VanDerWaalsContact C-N 3.29Å; I105-H107 PolarHBondContact O-N 3.22Å; H107-H111 VanDerWaalsContact O-CA 3.26Å; H107-H111 WeakPolarHBondContact O-CA 3.2Å; H107-H111 PolarHBondContact O-N 2.85Å; H107-H111 VanDerWaalsContact O-N 3.17Å; H107-I112 PolarHBondContact ND1-O 2.92Å; H107-H114 AromaticContact CD2-CE1 3.56Å; H107-H114 AromaticContact CD2-NE2 3.27Å; H107-H114 PolarHBondContact CD2-NE2 3.31Å; H107-H114 VanDerWaalsContact CD2-NE2 3.27Å; H107-H114 AromaticContact CE1-CD2 3.54Å; H107-H114 AromaticContact CE1-NE2 3.59Å; H107-H114 AromaticContact CG-CE1 3.61Å; H107-H114 AromaticContact CG-NE2 3.65Å; H107-H114 AromaticContact ND1-CD2 3.84Å; H107-H114 AromaticContact ND1-NE2 3.83Å; H107-H114 AromaticContact NE2-CD2 3.67Å; H107-H114 AromaticContact NE2-CE1 4Å; H107-H114 AromaticContact NE2-NE2 3.25Å; H107-H114 PolarHBondContact NE2-NE2 2.75Å; H107-I117 HydrophobicContact CB-CD1 3.88Å
108Q98.4Very high98.2Very high92 Ų9244.9 Ų44.943%0.4321%0.213SC..Hα-helixtrans-75-32.7-168.1-61.2177.229.700112.7D104 H111D104-Q108 WeakPolarHBondContact O-CB 3.49Å; D104-Q108 VanDerWaalsContact O-CG 3.26Å; D104-Q108 WeakPolarHBondContact O-CG 3.48Å; D104-Q108 PolarHBondContact O-N 3.16Å; Q108-H111 PolarHBondContact O-CE1 3.37Å
109F98.2Very high98.2Very high61 Ų6147.8 Ų47.827%0.26823%0.228SC..THydrogen-bonded Turntrans-111.9-28.9-172.6-60.9-91.9000113.5H87 Y88 I91 I105H87-F109 HydrophobicContact CB-CD1 4.32Å; H87-F109 HydrophobicContact CB-CE1 4.08Å; H87-F109 WeakPolarHBondContact O-CE1 3.28Å; H87-F109 WeakPolarHBondContact O-CZ 3.43Å; Y88-F109 HydrophobicContact CD1-CB 4.31Å; Y88-F109 AromaticContact CD1-CD1 3.69Å; Y88-F109 HydrophobicContact CD1-CD1 3.69Å; Y88-F109 AromaticContact CD1-CD2 3.7Å; Y88-F109 HydrophobicContact CD1-CD2 3.7Å; Y88-F109 AromaticContact CD1-CE1 3.83Å; Y88-F109 HydrophobicContact CD1-CE1 3.83Å; Y88-F109 AromaticContact CD1-CE2 3.86Å; Y88-F109 HydrophobicContact CD1-CE2 3.86Å; Y88-F109 AromaticContact CD1-CG 3.61Å; Y88-F109 HydrophobicContact CD1-CG 3.61Å; Y88-F109 AromaticContact CD1-CZ 3.9Å; Y88-F109 HydrophobicContact CD1-CZ 3.9Å; Y88-F109 HydrophobicContact CE1-CB 3.62Å; Y88-F109 AromaticContact CE1-CD1 3.65Å; Y88-F109 HydrophobicContact CE1-CD1 3.65Å; Y88-F109 AromaticContact CE1-CD2 3.89Å; Y88-F109 HydrophobicContact CE1-CD2 3.89Å; Y88-F109 HydrophobicContact CE1-CE1 4.26Å; Y88-F109 HydrophobicContact CE1-CE2 4.49Å; Y88-F109 AromaticContact CE1-CG 3.42Å; Y88-F109 HydrophobicContact CE1-CG 3.42Å; Y88-F109 VanDerWaalsContact CE1-CG 3.42Å; I91-F109 HydrophobicContact CD1-CD2 4.3Å; I91-F109 HydrophobicContact CD1-CE2 3.73Å; I91-F109 HydrophobicContact CG1-CE2 3.89Å; I105-F109 WeakPolarHBondContact O-CB 3.26Å; I105-F109 PolarHBondContact O-N 2.94Å
110W98.4Very high98.2Very high34 Ų3448.6 Ų48.613%0.12923%0.232CC..THydrogen-bonded Turntrans-102-4.5177-72.489000113.8D52 C55 K56 R59 Y88 I105 A106 I112D52-W110 HydrophobicContact CB-CH2 4.37Å; D52-W110 HydrophobicContact CB-CZ2 3.53Å; D52-W110 WeakPolarHBondContact O-CZ2 3.47Å; D52-W110 PolarHBondContact OD1-NE1 3.22Å; C55-W110 HydrophobicContact CB-CB 3.82Å; C55-W110 HydrophobicContact CB-CD2 3.47Å; C55-W110 VanDerWaalsContact CB-CD2 3.47Å; C55-W110 HydrophobicContact CB-CE3 4.06Å; C55-W110 HydrophobicContact CB-CG 3.31Å; K56-W110 HydrophobicContact CB-CE3 4.19Å; K56-W110 HydrophobicContact CB-CH2 3.67Å; K56-W110 HydrophobicContact CB-CZ3 3.37Å; K56-W110 HydrophobicContact CD-CH2 4.39Å; K56-W110 HydrophobicContact CD-CZ3 4.38Å; K56-W110 HydrophobicContact CG-CH2 4.31Å; K56-W110 HydrophobicContact CG-CZ3 3.9Å; R59-W110 VanDerWaalsContact CD-O 3.26Å; R59-W110 WeakPolarHBondContact CD-O 3.18Å; Y88-W110 PolarHBondContact OH-NE1 3.04Å; I105-W110 PolarHBondContact O-N 3.2Å; A106-W110 CarbonylContact O-C 3.58Å; A106-W110 WeakPolarHBondContact O-CA 3.39Å; A106-W110 VanDerWaalsContact O-CB 3.28Å; A106-W110 WeakPolarHBondContact O-CB 3.38Å; A106-W110 PolarHBondContact O-N 2.91Å; W110-I112 HydrophobicContact CB-CD1 4.42Å; W110-I112 HydrophobicContact CB-CG1 4.19Å; W110-I112 PolarHBondContact O-N 3.33Å
111H98.3Very high98.1Very high143 Ų14349.8 Ų49.866%0.66224%0.237SC*.  trans57.131.5176.3-50.3-42.7000113.2A106 H107 Q108 P113A106-H111 PolarHBondContact O-N 3.33Å; H107-H111 VanDerWaalsContact O-CA 3.26Å; H107-H111 WeakPolarHBondContact O-CA 3.2Å; H107-H111 PolarHBondContact O-N 2.85Å; H107-H111 VanDerWaalsContact O-N 3.17Å; Q108-H111 PolarHBondContact O-CE1 3.37Å; H111-P113 WeakPolarHBondContact O-CD 3.48Å
112I98.6Very high98Very high4 Ų456.1 Ų56.12%0.02127%0.266CS..  trans-73.7125.7171.8-57.2-179.8000107.7C55 A58 R59 L65 A106 H107 W110 K116 I117C55-I112 HydrophobicContact CB-CD1 4.18Å; A58-I112 HydrophobicContact CB-CD1 3.94Å; R59-I112 HydrophobicContact CB-CG1 4.18Å; L65-I112 HydrophobicContact CD2-CD1 3.77Å; A106-I112 HydrophobicContact CB-CD1 4.14Å; A106-I112 PolarHBondContact O-N 3.35Å; H107-I112 PolarHBondContact ND1-O 2.92Å; W110-I112 HydrophobicContact CB-CD1 4.42Å; W110-I112 HydrophobicContact CB-CG1 4.19Å; W110-I112 PolarHBondContact O-N 3.33Å; I112-K116 HydrophobicContact CG2-CB 4.06Å; I112-I117 HydrophobicContact CB-CD1 4.17Å; I112-I117 HydrophobicContact CB-CG1 4.22Å; I112-I117 HydrophobicContact CG2-CD1 4.17Å; I112-I117 HydrophobicContact CG2-CG1 3.67Å
113P98.2Very high97.8Very high50 Ų5056.2 Ų56.233%0.32527%0.267SS..  trans-61.6144178-2233.1000111.8H111 E115 K116H111-P113 WeakPolarHBondContact O-CD 3.48Å; P113-E115 HydrophobicContact CB-CG 4.2Å; P113-E115 WeakPolarHBondContact CB-OE1 3.42Å; P113-E115 WeakPolarHBondContact CB-OE2 3.48Å; P113-E115 PolarHBondContact O-N 2.85Å; P113-K116 PolarHBondContact O-N 3.15Å
114H97.5Very high97.5Very high118 Ų11859.4 Ų59.455%0.54629%0.286SS..G310 helixtrans-56.2-36.5-177.6-81.8-64.4000112.8H107 K116 I117H107-H114 AromaticContact CD2-CE1 3.56Å; H107-H114 AromaticContact CD2-NE2 3.27Å; H107-H114 PolarHBondContact CD2-NE2 3.31Å; H107-H114 VanDerWaalsContact CD2-NE2 3.27Å; H107-H114 AromaticContact CE1-CD2 3.54Å; H107-H114 AromaticContact CE1-NE2 3.59Å; H107-H114 AromaticContact CG-CE1 3.61Å; H107-H114 AromaticContact CG-NE2 3.65Å; H107-H114 AromaticContact ND1-CD2 3.84Å; H107-H114 AromaticContact ND1-NE2 3.83Å; H107-H114 AromaticContact NE2-CD2 3.67Å; H107-H114 AromaticContact NE2-CE1 4Å; H107-H114 AromaticContact NE2-NE2 3.25Å; H107-H114 PolarHBondContact NE2-NE2 2.75Å; H114-K116 PolarHBondContact O-N 2.85Å; H114-I117 PolarHBondContact O-N 2.93Å
115E96.3Very high97.1Very high144 Ų14461.6 Ų61.667%0.67330%0.298SS*.G310 helixtrans-64.6-18.2178.265.6-87.2-16000113.9P113P113-E115 HydrophobicContact CB-CG 4.2Å; P113-E115 WeakPolarHBondContact CB-OE1 3.42Å; P113-E115 WeakPolarHBondContact CB-OE2 3.48Å; P113-E115 PolarHBondContact O-N 2.85Å
116K97.1Very high96.5Very high65 Ų6562.2 Ų62.228%0.28330%0.302SS..G310 helixtrans-97.9-1.5174.6-66.5-165.6178.4-176.40113.1Q62 P64 L65 I112 P113 H114Q62-K116 PolarHBondContact O-NZ 3.13Å; P64-K116 CarbonylContact C-O 3.48Å; P64-K116 VanDerWaalsContact CA-O 3.31Å; P64-K116 WeakPolarHBondContact CA-O 3.43Å; L65-K116 PolarHBondContact N-O 3.28Å; I112-K116 HydrophobicContact CG2-CB 4.06Å; P113-K116 PolarHBondContact O-N 3.15Å; H114-K116 PolarHBondContact O-N 2.85Å
117I98.3Very high96.2Very high16 Ų1663.2 Ų63.28%0.08231%0.312CS..EExtended strand (participates in β ladder)trans-102.6111.9178.4-56.9171.3000108.6L65 I67 A103 A106 H107 I112 H114 I119L65-I117 WeakPolarHBondContact O-CA 3.26Å; I67-I117 HydrophobicContact CD1-CG2 3.89Å; I67-I117 HydrophobicContact CG1-CG2 4.41Å; A103-I117 HydrophobicContact CB-CG2 3.85Å; A106-I117 HydrophobicContact CB-CD1 3.94Å; H107-I117 HydrophobicContact CB-CD1 3.88Å; I112-I117 HydrophobicContact CB-CD1 4.17Å; I112-I117 HydrophobicContact CB-CG1 4.22Å; I112-I117 HydrophobicContact CG2-CD1 4.17Å; I112-I117 HydrophobicContact CG2-CG1 3.67Å; H114-I117 PolarHBondContact O-N 2.93Å; I117-I119 HydrophobicContact CG2-CG1 4.05Å
118W97.9Very high96Very high63 Ų6362.4 Ų62.424%0.23931%0.309CS..EExtended strand (participates in β ladder)trans-101120.8177.2-56.4-18.3000109.1P64 L65 L66 I67 L136 L137 A140 V144P64-W118 HydrophobicContact CB-CD2 3.96Å; P64-W118 HydrophobicContact CB-CE3 4.03Å; P64-W118 HydrophobicContact CB-CH2 3.59Å; P64-W118 HydrophobicContact CB-CZ2 3.49Å; P64-W118 VanDerWaalsContact CB-CZ2 3.49Å; P64-W118 HydrophobicContact CB-CZ3 3.85Å; P64-W118 HydrophobicContact CG-CH2 3.64Å; P64-W118 HydrophobicContact CG-CZ2 3.47Å; P64-W118 VanDerWaalsContact CG-CZ2 3.47Å; P64-W118 HydrophobicContact CG-CZ3 4.37Å; L65-W118 PolarHBondContact O-N 2.75Å; L66-W118 CarbonylContact C-O 3.52Å; L66-W118 WeakPolarHBondContact CA-O 3.45Å; L66-W118 HydrophobicContact CB-CB 4.3Å; L66-W118 HydrophobicContact CB-CE3 4.26Å; L66-W118 HydrophobicContact CD1-CE3 4.29Å; L66-W118 HydrophobicContact CG-CB 4.25Å; I67-W118 PolarHBondContact N-O 2.81Å; W118-L136 HydrophobicContact CB-CD2 4.03Å; W118-L137 HydrophobicContact CE3-CD2 4.35Å; W118-L137 HydrophobicContact CZ3-CD2 3.85Å; W118-A140 HydrophobicContact CH2-CB 4.03Å; W118-A140 HydrophobicContact CZ3-CB 4.42Å; W118-V144 HydrophobicContact CH2-CG2 4.47Å; W118-V144 HydrophobicContact CZ3-CG2 4.4Å
119I98Very high95.8Very high74 Ų7458.5 Ų58.538%0.37929%0.291SS..EExtended strand (participates in β ladder)trans-106.4128.3-172.6-62.6176000109.8A99 A103 I117 D121A99-I119 HydrophobicContact CB-CG2 3.98Å; A103-I119 HydrophobicContact CB-CD1 3.56Å; A103-I119 HydrophobicContact CB-CG1 4.01Å; I117-I119 HydrophobicContact CG2-CG1 4.05Å; I119-D121 HydrophobicContact CG2-CB 4.04Å
120E97.6Very high95.7Very high17 Ų1755.6 Ų55.68%0.07928%0.278CS..EExtended strand (participates in β ladder)trans-121.3105.6167-171.7-66.1113.600108I67 S68 G69 A99 Q122 S123 F132 L136I67-E120 PolarHBondContact O-N 2.96Å; S68-E120 CarbonylContact C-O 3.56Å; S68-E120 WeakPolarHBondContact CA-O 3.47Å; S68-E120 PolarHBondContact OG-OE2 2.76Å; G69-E120 PolarHBondContact N-O 2.76Å; A99-E120 VanDerWaalsContact CB-O 3.28Å; A99-E120 WeakPolarHBondContact CB-O 3.46Å; E120-Q122 WeakPolarHBondContact OE1-CA 3.48Å; E120-Q122 WeakPolarHBondContact OE1-CB 3.32Å; E120-Q122 PolarHBondContact OE1-N 2.94Å; E120-S123 PolarHBondContact OE1-N 3.4Å; E120-S123 WeakPolarHBondContact OE2-CB 3.4Å; E120-S123 PolarHBondContact OE2-OG 3.12Å; E120-F132 HydrophobicContact CG-CB 3.38Å; E120-F132 HydrophobicContact CG-CD2 4.45Å; E120-F132 HydrophobicContact CG-CG 4.31Å; E120-F132 VanDerWaalsContact OE1-CD2 3.27Å; E120-F132 WeakPolarHBondContact OE1-CD2 3.44Å; E120-L136 HydrophobicContact CB-CD2 4.18Å
121D97.2Very high95.6Very high64 Ų6459.5 Ų59.534%0.34229%0.293SS..  trans-113.415.6-16966.5-7.2000114.2G70 A97 A99 I119G70-D121 WeakPolarHBondContact CA-O 3.49Å; A97-D121 HydrophobicContact CB-CB 3.7Å; A99-D121 HydrophobicContact CB-CB 4.42Å; I119-D121 HydrophobicContact CG2-CB 4.04Å
122Q97.1Very high95.6Very high132 Ų13254.9 Ų54.962%0.61727%0.271SS*.  trans-104.2-18.6-176.7-57.2-58.4-58.400113.2E120 T124 F132E120-Q122 WeakPolarHBondContact OE1-CA 3.48Å; E120-Q122 WeakPolarHBondContact OE1-CB 3.32Å; E120-Q122 PolarHBondContact OE1-N 2.94Å; Q122-T124 PolarHBondContact O-N 2.69Å; Q122-F132 HydrophobicContact CB-CD2 4.48Å; Q122-F132 HydrophobicContact CB-CE2 4.1Å
123S94.2Very high95.6Very high3 Ų354.7 Ų54.72%0.02127%0.27CS..  trans-61.4130.8179.642.20000113.7S68 G69 G70 E120 N129S68-S123 PolarHBondContact OG-OG 3.01Å; G69-S123 WeakPolarHBondContact CA-OG 3.23Å; G69-S123 PolarHBondContact N-OG 3.39Å; G70-S123 WeakPolarHBondContact CA-O 3.48Å; G70-S123 PolarHBondContact N-O 3.41Å; G70-S123 PolarHBondContact N-OG 3.25Å; E120-S123 PolarHBondContact OE1-N 3.4Å; E120-S123 WeakPolarHBondContact OE2-CB 3.4Å; E120-S123 PolarHBondContact OE2-OG 3.12Å; S123-N129 VanDerWaalsContact CB-ND2 3.25Å; S123-N129 WeakPolarHBondContact CB-ND2 3.44Å; S123-N129 PolarHBondContact OG-ND2 3.32Å
124T91.1Very high95.5Very high75 Ų7553.5 Ų53.546%0.4626%0.261SS..  trans-107-9177.3650000113.1Q122 E128Q122-T124 PolarHBondContact O-N 2.69Å; T124-E128 WeakPolarHBondContact CB-OE2 3.43Å; T124-E128 PolarHBondContact N-OE2 3.14Å; T124-E128 PolarHBondContact OG1-OE2 3.28Å
125N90.2Very high95.4Very high78 Ų7849.8 Ų49.842%0.41725%0.251SS..SBendtrans-155.1168.7-178.164.473.7000112G127 E128 N129N125-G127 VanDerWaalsContact C-N 3.32Å; N125-G127 PolarHBondContact O-N 3.26Å; N125-G127 WeakPolarHBondContact OD1-CA 3.17Å; N125-G127 PolarHBondContact OD1-N 2.69Å; N125-E128 PolarHBondContact ND2-OE2 3.39Å; N125-E128 WeakPolarHBondContact O-CB 3.44Å; N125-E128 PolarHBondContact O-N 2.91Å; N125-E128 VanDerWaalsContact O-N 3.11Å; N125-E128 PolarHBondContact OD1-N 3.46Å; N125-N129 PolarHBondContact O-N 3.39Å; N125-N129 PolarHBondContact O-OD1 3.07Å
126C87.4Confident95.4Very high12 Ų1245 Ų458%0.08123%0.23CC..Hα-helixtrans-59.9-35-178.11770000114.3E128 N129 A130 R158 T159C126-E128 VanDerWaalsContact C-N 3.34Å; C126-N129 WeakPolarHBondContact CA-OD1 3.45Å; C126-N129 PolarHBondContact O-N 3.43Å; C126-A130 PolarHBondContact O-N 2.84Å; C126-R158 PolarHBondContact SG-NH1 3.15Å; C126-T159 PolarHBondContact SG-OG1 3.11Å
127G91.2Very high95.3Very high22 Ų2242.4 Ų42.423%0.22722%0.219CC..Hα-helixtrans-61.9-44174.700000111.9N125 A130 R131N125-G127 VanDerWaalsContact C-N 3.32Å; N125-G127 PolarHBondContact O-N 3.26Å; N125-G127 WeakPolarHBondContact OD1-CA 3.17Å; N125-G127 PolarHBondContact OD1-N 2.69Å; G127-A130 PolarHBondContact O-N 2.96Å; G127-R131 WeakPolarHBondContact O-CB 3.4Å; G127-R131 PolarHBondContact O-N 3.43Å; G127-R131 VanDerWaalsContact O-N 3.08Å
128E95.1Very high95Very high43 Ų4347.5 Ų47.520%0.20125%0.246CC..Hα-helixtrans-69.1-35.5175.2-69.9-174.7146.800112.7T124 N125 C126 A130 R131 F132T124-E128 WeakPolarHBondContact CB-OE2 3.43Å; T124-E128 PolarHBondContact N-OE2 3.14Å; T124-E128 PolarHBondContact OG1-OE2 3.28Å; N125-E128 PolarHBondContact ND2-OE2 3.39Å; N125-E128 WeakPolarHBondContact O-CB 3.44Å; N125-E128 PolarHBondContact O-N 2.91Å; N125-E128 VanDerWaalsContact O-N 3.11Å; N125-E128 PolarHBondContact OD1-N 3.46Å; C126-E128 VanDerWaalsContact C-N 3.34Å; E128-A130 VanDerWaalsContact C-N 3.29Å; E128-A130 PolarHBondContact O-N 2.89Å; E128-R131 PolarHBondContact O-N 2.63Å; E128-R131 IonicContact OE1-NH2 2.73Å; E128-F132 HydrophobicContact CB-CD2 3.92Å; E128-F132 HydrophobicContact CB-CE2 3.8Å; E128-F132 HydrophobicContact CG-CE2 4.13Å; E128-F132 HydrophobicContact CG-CZ 4.45Å; E128-F132 WeakPolarHBondContact O-CB 3.43Å; E128-F132 WeakPolarHBondContact O-CD2 2.99Å; E128-F132 WeakPolarHBondContact O-CG 3.5Å; E128-F132 PolarHBondContact O-N 2.7Å
129N94.8Very high94.7Very high11 Ų1151.5 Ų51.56%0.05927%0.267CS..Hα-helixtrans-55.2-48.6174.5-65132.7000111A43 S68 S123 N125 C126 S133A43-N129 HydrophobicContact CB-CB 4.31Å; S68-N129 PolarHBondContact O-ND2 2.75Å; S68-N129 VanDerWaalsContact O-ND2 3.13Å; S68-N129 WeakPolarHBondContact OG-CA 3.41Å; S68-N129 PolarHBondContact OG-ND2 3.39Å; S68-N129 VanDerWaalsContact OG-ND2 3.07Å; S68-N129 PolarHBondContact OG-O 3.27Å; S123-N129 VanDerWaalsContact CB-ND2 3.25Å; S123-N129 WeakPolarHBondContact CB-ND2 3.44Å; S123-N129 PolarHBondContact OG-ND2 3.32Å; N125-N129 PolarHBondContact O-N 3.39Å; N125-N129 PolarHBondContact O-OD1 3.07Å; C126-N129 WeakPolarHBondContact CA-OD1 3.45Å; C126-N129 PolarHBondContact O-N 3.43Å; N129-S133 WeakPolarHBondContact O-CB 3.4Å; N129-S133 PolarHBondContact O-N 2.92Å; N129-S133 PolarHBondContact O-OG 3.35Å
130A96.3Very high94.3Very high0 Ų049.4 Ų49.40%026%0.261CS..Hα-helixtrans-64-51.4177.900000111.7C126 G127 E128 F132 S133 I134 T162 F163 M166C126-A130 PolarHBondContact O-N 2.84Å; G127-A130 PolarHBondContact O-N 2.96Å; E128-A130 VanDerWaalsContact C-N 3.29Å; E128-A130 PolarHBondContact O-N 2.89Å; A130-F132 PolarHBondContact O-N 3.48Å; A130-S133 PolarHBondContact O-N 2.99Å; A130-I134 WeakPolarHBondContact O-CD1 3.23Å; A130-I134 VanDerWaalsContact O-CG1 3.26Å; A130-I134 WeakPolarHBondContact O-CG1 3.44Å; A130-I134 PolarHBondContact O-N 3.48Å; A130-T162 HydrophobicContact CB-CG2 3.63Å; A130-F163 HydrophobicContact CB-CD1 4.26Å; A130-F163 HydrophobicContact CB-CD2 3.81Å; A130-F163 HydrophobicContact CB-CE1 4.28Å; A130-F163 HydrophobicContact CB-CE2 3.82Å; A130-F163 HydrophobicContact CB-CG 4.03Å; A130-F163 HydrophobicContact CB-CZ 4.06Å; A130-M166 HydrophobicContact CB-CG 4.36Å
131R96.3Very high93.7Very high116 Ų11656 Ų5644%0.43830%0.302SS..Hα-helixtrans-61.1-46.6-175.6-175.5175.464.285.8-4.3112.5G127 E128 A135 M166G127-R131 WeakPolarHBondContact O-CB 3.4Å; G127-R131 PolarHBondContact O-N 3.43Å; G127-R131 VanDerWaalsContact O-N 3.08Å; E128-R131 PolarHBondContact O-N 2.63Å; E128-R131 IonicContact OE1-NH2 2.73Å; R131-A135 PolarHBondContact O-N 2.94Å; R131-M166 HydrophobicContact CB-CE 4.28Å; R131-M166 HydrophobicContact CB-SD 4.2Å
132F97.6Very high93.3Very high45 Ų4560.7 Ų60.720%0.19732%0.322CS..Hα-helixtrans-74.4-34.4-178.6-62.1-36.3000112.3E120 Q122 E128 A130 I134 A135 L136E120-F132 HydrophobicContact CG-CB 3.38Å; E120-F132 HydrophobicContact CG-CD2 4.45Å; E120-F132 HydrophobicContact CG-CG 4.31Å; E120-F132 VanDerWaalsContact OE1-CD2 3.27Å; E120-F132 WeakPolarHBondContact OE1-CD2 3.44Å; Q122-F132 HydrophobicContact CB-CD2 4.48Å; Q122-F132 HydrophobicContact CB-CE2 4.1Å; E128-F132 HydrophobicContact CB-CD2 3.92Å; E128-F132 HydrophobicContact CB-CE2 3.8Å; E128-F132 HydrophobicContact CG-CE2 4.13Å; E128-F132 HydrophobicContact CG-CZ 4.45Å; E128-F132 WeakPolarHBondContact O-CB 3.43Å; E128-F132 WeakPolarHBondContact O-CD2 2.99Å; E128-F132 WeakPolarHBondContact O-CG 3.5Å; E128-F132 PolarHBondContact O-N 2.7Å; A130-F132 PolarHBondContact O-N 3.48Å; F132-I134 PolarHBondContact O-N 3.42Å; F132-A135 PolarHBondContact O-N 2.93Å; F132-L136 WeakPolarHBondContact O-CB 3.42Å; F132-L136 PolarHBondContact O-N 2.94Å
133S97.6Very high93.1Very high1 Ų160.6 Ų60.61%0.00732%0.316CS..Hα-helixtrans-59.3-47.4171-61.20000111.3L66 S68 N129 A130 A135 L136 L137L66-S133 WeakPolarHBondContact CD2-OG 3.39Å; S68-S133 VanDerWaalsContact CB-OG 3.29Å; S68-S133 WeakPolarHBondContact CB-OG 3.24Å; N129-S133 WeakPolarHBondContact O-CB 3.4Å; N129-S133 PolarHBondContact O-N 2.92Å; N129-S133 PolarHBondContact O-OG 3.35Å; A130-S133 PolarHBondContact O-N 2.99Å; S133-A135 VanDerWaalsContact C-N 3.33Å; S133-A135 PolarHBondContact O-N 3.02Å; S133-L136 PolarHBondContact O-N 3.41Å; S133-L137 VanDerWaalsContact O-CG 3.3Å; S133-L137 WeakPolarHBondContact O-CG 3.32Å; S133-L137 PolarHBondContact O-N 3.42Å
134I96.6Very high93.1Very high24 Ų2461 Ų6112%0.12332%0.319CS..Hα-helixtrans-60.3-43.8176.9-67.5162.5000110.9A130 F132 L136 L137 N138 F163 M166 T167 W176A130-I134 WeakPolarHBondContact O-CD1 3.23Å; A130-I134 VanDerWaalsContact O-CG1 3.26Å; A130-I134 WeakPolarHBondContact O-CG1 3.44Å; A130-I134 PolarHBondContact O-N 3.48Å; F132-I134 PolarHBondContact O-N 3.42Å; I134-L136 VanDerWaalsContact C-N 3.29Å; I134-L136 PolarHBondContact O-N 3.35Å; I134-L137 PolarHBondContact O-N 2.91Å; I134-N138 VanDerWaalsContact O-CG 3.27Å; I134-N138 PolarHBondContact O-N 3.19Å; I134-N138 PolarHBondContact O-ND2 3.03Å; I134-F163 HydrophobicContact CD1-CD1 4.04Å; I134-F163 HydrophobicContact CD1-CE1 4.46Å; I134-F163 HydrophobicContact CG1-CD1 4.09Å; I134-F163 HydrophobicContact CG1-CE1 4.12Å; I134-M166 HydrophobicContact CD1-CB 3.55Å; I134-M166 HydrophobicContact CD1-CG 4.43Å; I134-T167 HydrophobicContact CD1-CG2 3.83Å; I134-T167 HydrophobicContact CG1-CG2 4.46Å; I134-W176 HydrophobicContact CD1-CZ2 4.23Å; I134-W176 HydrophobicContact CG1-CH2 3.95Å; I134-W176 HydrophobicContact CG1-CZ2 3.86Å
135A95.6Very high93.3Very high41 Ų4162.8 Ų62.834%0.33932%0.321SS..Hα-helixtrans-62.2-36.3177.900000112.7R131 F132 S133 Q139R131-A135 PolarHBondContact O-N 2.94Å; F132-A135 PolarHBondContact O-N 2.93Å; S133-A135 VanDerWaalsContact C-N 3.33Å; S133-A135 PolarHBondContact O-N 3.02Å; A135-Q139 WeakPolarHBondContact O-CG 3.29Å; A135-Q139 PolarHBondContact O-NE2 3.14Å
136L95.9Very high93.6Very high44 Ų4460.6 Ų60.623%0.2331%0.311CS..Hα-helixtrans-73.4-40.3177.3-175.758.9000111.7L66 W118 E120 F132 S133 I134 N138 Q139 A140L66-L136 HydrophobicContact CD1-CB 4.16Å; L66-L136 HydrophobicContact CD1-CD2 3.95Å; L66-L136 HydrophobicContact CD1-CG 4.17Å; L66-L136 HydrophobicContact CG-CD2 4.01Å; W118-L136 HydrophobicContact CB-CD2 4.03Å; E120-L136 HydrophobicContact CB-CD2 4.18Å; F132-L136 WeakPolarHBondContact O-CB 3.42Å; F132-L136 PolarHBondContact O-N 2.94Å; S133-L136 PolarHBondContact O-N 3.41Å; I134-L136 VanDerWaalsContact C-N 3.29Å; I134-L136 PolarHBondContact O-N 3.35Å; L136-N138 VanDerWaalsContact C-N 3.27Å; L136-N138 PolarHBondContact O-N 3.44Å; L136-Q139 WeakPolarHBondContact O-CB 3.35Å; L136-Q139 PolarHBondContact O-N 3.43Å; L136-A140 PolarHBondContact O-N 2.92Å
137L95.6Very high94.1Very high10 Ų1060 Ų605%0.05231%0.307CS..Hα-helixtrans-59-38.9173.4-69.7172.2000112.3I41 L66 W118 S133 I134 Q139 A140 V144 P174 W176I41-L137 HydrophobicContact CD1-CD1 3.87Å; L66-L137 HydrophobicContact CD1-CD2 3.88Å; L66-L137 HydrophobicContact CD1-CG 3.85Å; W118-L137 HydrophobicContact CE3-CD2 4.35Å; W118-L137 HydrophobicContact CZ3-CD2 3.85Å; S133-L137 VanDerWaalsContact O-CG 3.3Å; S133-L137 WeakPolarHBondContact O-CG 3.32Å; S133-L137 PolarHBondContact O-N 3.42Å; I134-L137 PolarHBondContact O-N 2.91Å; L137-Q139 PolarHBondContact O-N 3.17Å; L137-A140 VanDerWaalsContact O-CB 3.31Å; L137-A140 WeakPolarHBondContact O-CB 3.5Å; L137-A140 PolarHBondContact O-N 3.46Å; L137-A140 VanDerWaalsContact O-N 3.12Å; L137-V144 HydrophobicContact CD2-CB 4.19Å; L137-V144 HydrophobicContact CD2-CG1 4.26Å; L137-V144 HydrophobicContact CD2-CG2 3.83Å; L137-P174 HydrophobicContact CD1-CG 4.41Å; L137-W176 HydrophobicContact CD1-CH2 3.73Å; L137-W176 HydrophobicContact CD1-CZ3 3.95Å
138N92.5Very high94.4Very high123 Ų12359 Ų5966%0.65830%0.296SS*.THydrogen-bonded Turntrans-68.8-11.8177.8-69.9-22.3000113.8I134 L136I134-N138 VanDerWaalsContact O-CG 3.27Å; I134-N138 PolarHBondContact O-N 3.19Å; I134-N138 PolarHBondContact O-ND2 3.03Å; L136-N138 VanDerWaalsContact C-N 3.27Å; L136-N138 PolarHBondContact O-N 3.44Å
139Q91.9Very high94.5Very high146 Ų14656.9 Ų56.968%0.68229%0.286SS*.THydrogen-bonded Turntrans-96.4-7.8175.2-66167.752.400112.5A135 L136 L137A135-Q139 WeakPolarHBondContact O-CG 3.29Å; A135-Q139 PolarHBondContact O-NE2 3.14Å; L136-Q139 WeakPolarHBondContact O-CB 3.35Å; L136-Q139 PolarHBondContact O-N 3.43Å; L137-Q139 PolarHBondContact O-N 3.17Å
140A88.5Confident94.7Very high31 Ų3156.4 Ų56.426%0.25628%0.284SS..  trans-66.4143.6178.900000111W118 L136 L137 E142W118-A140 HydrophobicContact CH2-CB 4.03Å; W118-A140 HydrophobicContact CZ3-CB 4.42Å; L136-A140 PolarHBondContact O-N 2.92Å; L137-A140 VanDerWaalsContact O-CB 3.31Å; L137-A140 WeakPolarHBondContact O-CB 3.5Å; L137-A140 PolarHBondContact O-N 3.46Å; L137-A140 VanDerWaalsContact O-N 3.12Å; A140-E142 VanDerWaalsContact C-N 3.34Å; A140-E142 WeakPolarHBondContact CB-O 3.46Å
141V86.1Confident94.8Very high155 Ų15556.5 Ų56.594%0.93928%0.284SS*.SBendtrans-65.3-43177.1178.70000110.5
142E87.9Confident94.9Very high163 Ų16351.3 Ų51.376%0.76227%0.265SS*.SBendtrans-94.4135.2175.1-67.4-176.9-177.800110A140 V144A140-E142 VanDerWaalsContact C-N 3.34Å; A140-E142 WeakPolarHBondContact CB-O 3.46Å; E142-V144 PolarHBondContact O-N 2.8Å
143R92.2Very high94.9Very high130 Ų13049.2 Ų49.249%0.49126%0.256SS..PPolyproline II helixtrans-73.8126.3-179.9-177.1169.2176.5166.6-5.4110.2H145 D172R143-H145 PolarHBondContact O-CD2 3.33Å; R143-D172 IonicContact CZ-OD1 3.68Å; R143-D172 VanDerWaalsContact CZ-OD1 3.26Å; R143-D172 IonicContact NH1-OD1 3.7Å; R143-D172 PolarHBondContact NH1-OD1 2.81Å; R143-D172 PolarHBondContact NH2-O 2.94Å; R143-D172 IonicContact NH2-OD1 3.76Å; R143-D172 PolarHBondContact NH2-OD1 3.33Å
144V95.3Very high94.9Very high12 Ų1249.3 Ų49.37%0.07326%0.257CS..PPolyproline II helixtrans-83.5118.5171.7172.80000108.9D38 C39 W118 L137 E142 A147 P174D38-V144 HydrophobicContact CB-CG1 4.19Å; C39-V144 HydrophobicContact CB-CG1 3.99Å; C39-V144 HydrophobicContact CB-CG2 4.13Å; W118-V144 HydrophobicContact CH2-CG2 4.47Å; W118-V144 HydrophobicContact CZ3-CG2 4.4Å; L137-V144 HydrophobicContact CD2-CB 4.19Å; L137-V144 HydrophobicContact CD2-CG1 4.26Å; L137-V144 HydrophobicContact CD2-CG2 3.83Å; E142-V144 PolarHBondContact O-N 2.8Å; V144-A147 HydrophobicContact CG1-CB 4.07Å; V144-P174 HydrophobicContact CG1-CB 4.25Å; V144-P174 HydrophobicContact CG1-CG 4.2Å; V144-P174 WeakPolarHBondContact O-CG 3.44Å
145H95.2Very high94.9Very high111 Ų11149.4 Ų49.451%0.51426%0.257SS..SBendtrans-98.2-31.3177.5-64.4-78.5000112.1D38 R143 P174 R175D38-H145 VanDerWaalsContact OD2-CA 3.29Å; D38-H145 WeakPolarHBondContact OD2-CA 3.26Å; D38-H145 VanDerWaalsContact OD2-CB 3.29Å; D38-H145 WeakPolarHBondContact OD2-CB 3.46Å; D38-H145 PolarHBondContact OD2-N 2.95Å; R143-H145 PolarHBondContact O-CD2 3.33Å; H145-P174 CarbonylContact O-C 3.51Å; H145-P174 WeakPolarHBondContact O-CA 3.36Å; H145-R175 PolarHBondContact O-N 3.21Å
146T96.1Very high95Very high32 Ų3247.4 Ų47.420%0.19624%0.241CC..EExtended strand (participates in β ladder)trans-134.8130.6177.9-55.70000110.2A37 D38 C39 R175 L177A37-T146 HydrophobicContact CB-CG2 4Å; D38-T146 PolarHBondContact N-O 3.43Å; D38-T146 PolarHBondContact OD2-N 3.19Å; C39-T146 PolarHBondContact N-O 2.94Å; T146-R175 WeakPolarHBondContact CA-O 3.35Å; T146-L177 HydrophobicContact CG2-CD1 3.38Å; T146-L177 HydrophobicContact CG2-CG 3.89Å
147A97.4Very high95.2Very high0 Ų047.7 Ų47.70%024%0.238CC..EExtended strand (participates in β ladder)trans-130.8131.917700000111.2C39 I41 V144 P174 R175 W176 L177C39-A147 VanDerWaalsContact O-CA 3.31Å; C39-A147 WeakPolarHBondContact O-CA 3.26Å; I41-A147 HydrophobicContact CD1-CB 4.07Å; I41-A147 HydrophobicContact CG1-CB 4.41Å; V144-A147 HydrophobicContact CG1-CB 4.07Å; A147-P174 HydrophobicContact CB-CB 4.49Å; A147-R175 PolarHBondContact N-O 3.31Å; A147-W176 HydrophobicContact CB-CE3 3.83Å; A147-W176 HydrophobicContact CB-CZ3 3.65Å; A147-L177 PolarHBondContact O-N 3.29Å
148I98.1Very high95.3Very high0 Ų048.1 Ų48.10%024%0.24CC..EExtended strand (participates in β ladder)trans-88.3116.5172.3-60.8167.8000108F29 P34 A37 C39 V40 I41 I57 V150 L177F29-I148 HydrophobicContact CE2-CG2 4.38Å; F29-I148 HydrophobicContact CZ-CD1 4.17Å; F29-I148 HydrophobicContact CZ-CG1 4.08Å; P34-I148 HydrophobicContact CB-CD1 3.86Å; A37-I148 HydrophobicContact CB-CD1 3.7Å; A37-I148 HydrophobicContact CB-CG1 3.67Å; C39-I148 PolarHBondContact O-N 2.93Å; V40-I148 CarbonylContact C-O 3.16Å; V40-I148 WeakPolarHBondContact CA-O 3.3Å; I41-I148 PolarHBondContact N-O 3.05Å; I57-I148 HydrophobicContact CG2-CD1 3.95Å; I148-V150 HydrophobicContact CG2-CG2 3.99Å; I148-L177 CarbonylContact C-O 3.54Å; I148-L177 WeakPolarHBondContact CA-O 3.37Å; I148-L177 HydrophobicContact CG1-CB 4.2Å; I148-L177 HydrophobicContact CG1-CD1 4.18Å
149V98.4Very high95.5Very high0 Ų042.3 Ų42.30%021%0.208CC..EExtended strand (participates in β ladder)trans-92.2122.2175.3-176.50000108.8I41 Q156 T159 M160 F163 W176 L177 Y179I41-V149 HydrophobicContact CD1-CG2 4.35Å; V149-Q156 PolarHBondContact O-NE2 3.06Å; V149-T159 HydrophobicContact CG1-CG2 3.91Å; V149-M160 HydrophobicContact CB-SD 3.7Å; V149-M160 HydrophobicContact CG1-SD 4.18Å; V149-M160 HydrophobicContact CG2-SD 4.07Å; V149-F163 HydrophobicContact CG1-CD2 4.1Å; V149-F163 HydrophobicContact CG1-CE2 3.71Å; V149-F163 HydrophobicContact CG1-CZ 4.38Å; V149-F163 HydrophobicContact CG2-CD2 4.18Å; V149-F163 HydrophobicContact CG2-CE1 4.49Å; V149-F163 HydrophobicContact CG2-CE2 4.11Å; V149-F163 HydrophobicContact CG2-CG 4.42Å; V149-F163 HydrophobicContact CG2-CZ 4.26Å; V149-W176 HydrophobicContact CG2-CE3 4.06Å; V149-L177 PolarHBondContact N-O 3.29Å; V149-Y179 PolarHBondContact O-N 3.07Å
150V98.4Very high95.8Very high0 Ų035.3 Ų35.30%018%0.176CC..EExtended strand (participates in β ladder)trans-117.7126.5177.9-1750000109.2V40 I41 L42 A43 T50 A54 I148 Y179V40-V150 HydrophobicContact CG1-CG2 3.91Å; I41-V150 PolarHBondContact O-N 3.02Å; L42-V150 WeakPolarHBondContact CA-O 3.47Å; L42-V150 HydrophobicContact CD1-CB 4.37Å; L42-V150 HydrophobicContact CD1-CG1 4.19Å; A43-V150 PolarHBondContact N-O 2.85Å; T50-V150 HydrophobicContact CG2-CG1 3.53Å; T50-V150 WeakPolarHBondContact O-CG1 3.43Å; A54-V150 HydrophobicContact CB-CB 3.94Å; A54-V150 HydrophobicContact CB-CG1 3.91Å; A54-V150 HydrophobicContact CB-CG2 3.97Å; I148-V150 HydrophobicContact CG2-CG2 3.99Å; V150-Y179 VanDerWaalsContact CA-O 3.32Å; V150-Y179 WeakPolarHBondContact CA-O 3.28Å; V150-Y179 WeakPolarHBondContact CG1-O 3.42Å; V150-Y179 HydrophobicContact CG2-CD1 4.42Å; V150-Y179 WeakPolarHBondContact CG2-O 3.28Å
151Q97.8Very high96.3Very high3 Ų334 Ų341%0.01417%0.165CC..  trans-149.1165178.9-176.850.8-48.600110.7A43 G44 N45 T50 M155 Q156 T159A43-Q151 HydrophobicContact CB-CB 4.18Å; A43-Q151 VanDerWaalsContact CB-CD 3.45Å; A43-Q151 HydrophobicContact CB-CG 4.09Å; A43-Q151 PolarHBondContact O-OE1 2.91Å; G44-Q151 PolarHBondContact O-NE2 3.4Å; G44-Q151 VanDerWaalsContact O-NE2 3.15Å; G44-Q151 PolarHBondContact O-OE1 3.49Å; N45-Q151 VanDerWaalsContact CB-OE1 3.3Å; N45-Q151 PolarHBondContact ND2-OE1 3Å; T50-Q151 VanDerWaalsContact CG2-O 3.3Å; T50-Q151 WeakPolarHBondContact CG2-O 3.49Å; Q151-M155 HydrophobicContact CG-CB 4.12Å; Q151-Q156 PolarHBondContact O-OE1 3.16Å; Q151-Q156 VanDerWaalsContact O-OE1 3.11Å; Q151-T159 HydrophobicContact CB-CG2 4.36Å; Q151-T159 HydrophobicContact CG-CG2 4.41Å; Q151-T159 WeakPolarHBondContact CG-OG1 3.39Å
152D97.7Very high96.9Very high6 Ų626.8 Ų26.83%0.03212%0.121CC..  trans-36.2121166.6-174.4-58.6000110.1N45 V47 T154 M155 Q156 W203N45-D152 HydrophobicContact CB-CB 3.81Å; V47-D152 HydrophobicContact CG2-CB 4.32Å; V47-D152 WeakPolarHBondContact CG2-OD2 3.35Å; D152-T154 PolarHBondContact O-N 2.8Å; D152-T154 WeakPolarHBondContact OD1-CB 3.5Å; D152-T154 PolarHBondContact OD1-N 3.45Å; D152-T154 PolarHBondContact OD1-OG1 3.4Å; D152-M155 HydrophobicContact CB-CB 4.35Å; D152-M155 HydrophobicContact CB-CG 4.33Å; D152-M155 CarbonylContact O-C 3.53Å; D152-M155 WeakPolarHBondContact O-CA 3.24Å; D152-M155 PolarHBondContact O-N 3.22Å; D152-Q156 PolarHBondContact O-N 3.35Å; D152-W203 VanDerWaalsContact CG-CZ2 3.49Å; D152-W203 VanDerWaalsContact OD1-CZ2 3.27Å; D152-W203 WeakPolarHBondContact OD1-CZ2 3.47Å; D152-W203 WeakPolarHBondContact OD2-CZ2 3.35Å; D152-W203 PolarHBondContact OD2-NE1 3.39Å
153P98.1Very high97.3Very high2 Ų219 Ų191%0.0139%0.085CC..THydrogen-bonded Turntrans-51.5-31.1-177-31.633.5000114.5L24 A25 T50 M155 P180 F182 P184 W203L24-P153 CarbonylContact C-O 3.45Å; A25-P153 VanDerWaalsContact CA-O 3.25Å; A25-P153 WeakPolarHBondContact CA-O 3.42Å; A25-P153 HydrophobicContact CB-CB 3.85Å; A25-P153 PolarHBondContact N-O 3.11Å; A25-P153 VanDerWaalsContact N-O 3.13Å; T50-P153 WeakPolarHBondContact OG1-CD 3.45Å; P153-M155 VanDerWaalsContact C-N 3.32Å; P153-M155 PolarHBondContact O-N 3.02Å; P153-P180 HydrophobicContact CB-CB 4.14Å; P153-P180 HydrophobicContact CG-CB 4.08Å; P153-F182 HydrophobicContact CG-CD1 4.2Å; P153-F182 HydrophobicContact CG-CE1 3.74Å; P153-F182 HydrophobicContact CG-CZ 4.11Å; P153-P184 HydrophobicContact CB-CG 3.75Å; P153-P184 HydrophobicContact CG-CG 4.18Å; P153-W203 HydrophobicContact CB-CH2 4.21Å; P153-W203 HydrophobicContact CG-CH2 3.83Å; P153-W203 HydrophobicContact CG-CZ2 4.46Å
154T97.8Very high97.6Very high2 Ų218 Ų181%0.0128%0.081CC..THydrogen-bonded Turntrans-71.5-27.7177.167.10000112.8D152 W203 Y208 L211 E215D152-T154 PolarHBondContact O-N 2.8Å; D152-T154 WeakPolarHBondContact OD1-CB 3.5Å; D152-T154 PolarHBondContact OD1-N 3.45Å; D152-T154 PolarHBondContact OD1-OG1 3.4Å; T154-W203 HydrophobicContact CG2-CZ2 4.49Å; T154-Y208 HydrophobicContact CG2-CD2 3.61Å; T154-Y208 HydrophobicContact CG2-CE2 3.56Å; T154-L211 HydrophobicContact CG2-CB 4.04Å; T154-E215 WeakPolarHBondContact O-CG 3.43Å
155M97.1Very high97.6Very high26 Ų2622 Ų2213%0.12810%0.095CC..THydrogen-bonded Turntrans-104.5-5.5-177.4-55.4-170.5-168.700113.6Q151 D152 P153 R157 R158 T159 L211 E215Q151-M155 HydrophobicContact CG-CB 4.12Å; D152-M155 HydrophobicContact CB-CB 4.35Å; D152-M155 HydrophobicContact CB-CG 4.33Å; D152-M155 CarbonylContact O-C 3.53Å; D152-M155 WeakPolarHBondContact O-CA 3.24Å; D152-M155 PolarHBondContact O-N 3.22Å; P153-M155 VanDerWaalsContact C-N 3.32Å; P153-M155 PolarHBondContact O-N 3.02Å; M155-R157 PolarHBondContact O-N 3.37Å; M155-R158 PolarHBondContact O-N 3.36Å; M155-T159 WeakPolarHBondContact O-CB 3.46Å; M155-T159 PolarHBondContact O-N 2.99Å; M155-T159 PolarHBondContact O-OG1 2.99Å; M155-L211 HydrophobicContact CE-CD2 3.71Å; M155-E215 HydrophobicContact CG-CG 4.48Å
156Q98.2Very high97.6Very high0 Ų020.7 Ų20.70%09%0.09CC..Hα-helixtrans-54.8-53.7-172.9-177.168.635.100111.9Q26 V149 Q151 D152 R158 T159 M160 S178 P180Q26-Q156 HydrophobicContact CB-CG 4.34Å; Q26-Q156 WeakPolarHBondContact O-CG 3.42Å; V149-Q156 PolarHBondContact O-NE2 3.06Å; Q151-Q156 PolarHBondContact O-OE1 3.16Å; Q151-Q156 VanDerWaalsContact O-OE1 3.11Å; D152-Q156 PolarHBondContact O-N 3.35Å; Q156-R158 PolarHBondContact O-N 3.47Å; Q156-T159 WeakPolarHBondContact O-CB 3.36Å; Q156-T159 PolarHBondContact O-N 3.03Å; Q156-T159 VanDerWaalsContact O-N 3.14Å; Q156-M160 WeakPolarHBondContact O-CG 3.3Å; Q156-M160 PolarHBondContact O-N 3.41Å; Q156-S178 VanDerWaalsContact CG-OG 3.25Å; Q156-S178 WeakPolarHBondContact CG-OG 3.49Å; Q156-S178 PolarHBondContact NE2-OG 3.16Å; Q156-P180 HydrophobicContact CB-CB 4.35Å; Q156-P180 HydrophobicContact CG-CB 4.12Å
157R98.2Very high97.6Very high49 Ų4920.2 Ų20.219%0.1859%0.087CC..Hα-helixtrans-59.2-44179.8-176.2172.8-64-81.8-2.6113W23 L24 Q26 M155 T159 M160 A161 L219 V237W23-R157 VanDerWaalsContact CZ2-CD 3.5Å; W23-R157 PolarHBondContact O-NE 3.3Å; W23-R157 PolarHBondContact O-NH2 2.91Å; L24-R157 WeakPolarHBondContact O-CB 3.18Å; L24-R157 PolarHBondContact O-N 3.45Å; Q26-R157 HydrophobicContact CB-CB 4.16Å; M155-R157 PolarHBondContact O-N 3.37Å; R157-T159 VanDerWaalsContact C-N 3.3Å; R157-T159 PolarHBondContact O-N 3.2Å; R157-M160 PolarHBondContact O-N 2.86Å; R157-A161 WeakPolarHBondContact O-CB 3.3Å; R157-A161 PolarHBondContact O-N 2.81Å; R157-L219 HydrophobicContact CG-CD2 4.44Å; R157-V237 HydrophobicContact CG-CG1 4.35Å
158R98Very high97.3Very high20 Ų2022.3 Ų22.38%0.07511%0.109CC..Hα-helixtrans-64.6-38.8177.5-174.1168.352.366.94.7111.2C126 M155 Q156 A161 T162 E215 L219 I234C126-R158 PolarHBondContact SG-NH1 3.15Å; M155-R158 PolarHBondContact O-N 3.36Å; Q156-R158 PolarHBondContact O-N 3.47Å; R158-A161 PolarHBondContact O-N 3.45Å; R158-T162 WeakPolarHBondContact O-CB 3.49Å; R158-T162 PolarHBondContact O-N 3.5Å; R158-T162 PolarHBondContact O-OG1 2.86Å; R158-E215 IonicContact CZ-OE1 3.28Å; R158-E215 IonicContact CZ-OE2 3.17Å; R158-E215 VanDerWaalsContact CZ-OE2 3.3Å; R158-E215 IonicContact NE-OE1 3.13Å; R158-E215 PolarHBondContact NE-OE1 2.9Å; R158-E215 IonicContact NE-OE2 2.69Å; R158-E215 PolarHBondContact NE-OE2 3.07Å; R158-E215 VanDerWaalsContact NH2-CD 3.34Å; R158-E215 IonicContact NH2-OE1 3.3Å; R158-E215 PolarHBondContact NH2-OE1 3.46Å; R158-E215 IonicContact NH2-OE2 2.69Å; R158-E215 PolarHBondContact NH2-OE2 3.44Å; R158-E215 VanDerWaalsContact NH2-OE2 3.13Å; R158-L219 HydrophobicContact CB-CD2 3.67Å; R158-L219 HydrophobicContact CB-CG 4.31Å; R158-L219 HydrophobicContact CG-CD2 4.12Å; R158-I234 HydrophobicContact CG-CG2 4.04Å
159T97.9Very high96.9Very high0 Ų030.4 Ų30.40%015%0.152CC..Hα-helixtrans-62-47.8176.6-56.70000110.3C126 V149 Q151 M155 Q156 R157 A161 T162 F163C126-T159 PolarHBondContact SG-OG1 3.11Å; V149-T159 HydrophobicContact CG1-CG2 3.91Å; Q151-T159 HydrophobicContact CB-CG2 4.36Å; Q151-T159 HydrophobicContact CG-CG2 4.41Å; Q151-T159 WeakPolarHBondContact CG-OG1 3.39Å; M155-T159 WeakPolarHBondContact O-CB 3.46Å; M155-T159 PolarHBondContact O-N 2.99Å; M155-T159 PolarHBondContact O-OG1 2.99Å; Q156-T159 WeakPolarHBondContact O-CB 3.36Å; Q156-T159 PolarHBondContact O-N 3.03Å; Q156-T159 VanDerWaalsContact O-N 3.14Å; R157-T159 VanDerWaalsContact C-N 3.3Å; R157-T159 PolarHBondContact O-N 3.2Å; T159-A161 VanDerWaalsContact C-N 3.34Å; T159-A161 PolarHBondContact O-N 3.24Å; T159-T162 WeakPolarHBondContact O-CA 3.47Å; T159-T162 VanDerWaalsContact O-CB 3.28Å; T159-T162 WeakPolarHBondContact O-CB 3.43Å; T159-T162 PolarHBondContact O-N 2.74Å; T159-F163 HydrophobicContact CG2-CD2 3.93Å; T159-F163 HydrophobicContact CG2-CE2 3.78Å; T159-F163 WeakPolarHBondContact O-CD2 3.45Å; T159-F163 PolarHBondContact O-N 3.02Å
160M98.1Very high96.6Very high0 Ų034.2 Ų34.20%017%0.173CC..Hα-helixtrans-58.7-43.5174.8-68.6-57.1-6400112.8V149 Q156 R157 T162 F163 R164 W176 S178V149-M160 HydrophobicContact CB-SD 3.7Å; V149-M160 HydrophobicContact CG1-SD 4.18Å; V149-M160 HydrophobicContact CG2-SD 4.07Å; Q156-M160 WeakPolarHBondContact O-CG 3.3Å; Q156-M160 PolarHBondContact O-N 3.41Å; R157-M160 PolarHBondContact O-N 2.86Å; M160-T162 PolarHBondContact O-N 3.5Å; M160-F163 PolarHBondContact O-N 2.94Å; M160-R164 WeakPolarHBondContact O-CG 3.44Å; M160-R164 PolarHBondContact O-N 3.09Å; M160-R164 VanDerWaalsContact O-N 3.08Å; M160-W176 HydrophobicContact CE-CB 3.65Å; M160-S178 VanDerWaalsContact CG-OG 3.3Å; M160-S178 WeakPolarHBondContact CG-OG 3.24Å
161A98.2Very high96.1Very high3 Ų340 Ų403%0.02521%0.21CC..Hα-helixtrans-65-30.5176.800000112.4R157 R158 T159 R165 I234 V235 V237R157-A161 WeakPolarHBondContact O-CB 3.3Å; R157-A161 PolarHBondContact O-N 2.81Å; R158-A161 PolarHBondContact O-N 3.45Å; T159-A161 VanDerWaalsContact C-N 3.34Å; T159-A161 PolarHBondContact O-N 3.24Å; A161-R165 WeakPolarHBondContact O-CB 3.34Å; A161-R165 PolarHBondContact O-N 2.95Å; A161-I234 HydrophobicContact CB-CB 3.79Å; A161-I234 HydrophobicContact CB-CD1 4.24Å; A161-I234 HydrophobicContact CB-CG1 4.5Å; A161-I234 HydrophobicContact CB-CG2 4.17Å; A161-V235 HydrophobicContact CB-CG2 3.95Å; A161-V235 PolarHBondContact O-N 3.37Å; A161-V237 HydrophobicContact CB-CG2 3.75Å
162T98.2Very high95.7Very high4 Ų444.3 Ų44.33%0.02523%0.233CC..Hα-helixtrans-69.8-48.6174-52.30000111.2A130 R158 T159 M160 R164 R165 M166 I234A130-T162 HydrophobicContact CB-CG2 3.63Å; R158-T162 WeakPolarHBondContact O-CB 3.49Å; R158-T162 PolarHBondContact O-N 3.5Å; R158-T162 PolarHBondContact O-OG1 2.86Å; T159-T162 WeakPolarHBondContact O-CA 3.47Å; T159-T162 VanDerWaalsContact O-CB 3.28Å; T159-T162 WeakPolarHBondContact O-CB 3.43Å; T159-T162 PolarHBondContact O-N 2.74Å; M160-T162 PolarHBondContact O-N 3.5Å; T162-R164 VanDerWaalsContact C-N 3.3Å; T162-R164 PolarHBondContact O-N 2.58Å; T162-R165 WeakPolarHBondContact O-CB 3.27Å; T162-R165 PolarHBondContact O-N 2.91Å; T162-R165 VanDerWaalsContact O-N 3.08Å; T162-M166 HydrophobicContact CG2-CE 4.28Å; T162-M166 HydrophobicContact CG2-CG 4.38Å; T162-M166 VanDerWaalsContact O-CG 3.29Å; T162-M166 WeakPolarHBondContact O-CG 3.42Å; T162-M166 PolarHBondContact O-N 2.89Å; T162-I234 VanDerWaalsContact OG1-CG2 3.29Å; T162-I234 WeakPolarHBondContact OG1-CG2 3.44Å
163F97.9Very high95.5Very high0 Ų045.2 Ų45.20%024%0.242CC..Hα-helixtrans-55.9-46.7176.6-89.3-87.8000111.2I41 A130 I134 V149 T159 M160 R165 M166 T167 W176I41-F163 HydrophobicContact CD1-CE1 3.84Å; I41-F163 HydrophobicContact CD1-CZ 4.02Å; I41-F163 HydrophobicContact CG2-CZ 4.1Å; A130-F163 HydrophobicContact CB-CD1 4.26Å; A130-F163 HydrophobicContact CB-CD2 3.81Å; A130-F163 HydrophobicContact CB-CE1 4.28Å; A130-F163 HydrophobicContact CB-CE2 3.82Å; A130-F163 HydrophobicContact CB-CG 4.03Å; A130-F163 HydrophobicContact CB-CZ 4.06Å; I134-F163 HydrophobicContact CD1-CD1 4.04Å; I134-F163 HydrophobicContact CD1-CE1 4.46Å; I134-F163 HydrophobicContact CG1-CD1 4.09Å; I134-F163 HydrophobicContact CG1-CE1 4.12Å; V149-F163 HydrophobicContact CG1-CD2 4.1Å; V149-F163 HydrophobicContact CG1-CE2 3.71Å; V149-F163 HydrophobicContact CG1-CZ 4.38Å; V149-F163 HydrophobicContact CG2-CD2 4.18Å; V149-F163 HydrophobicContact CG2-CE1 4.49Å; V149-F163 HydrophobicContact CG2-CE2 4.11Å; V149-F163 HydrophobicContact CG2-CG 4.42Å; V149-F163 HydrophobicContact CG2-CZ 4.26Å; T159-F163 HydrophobicContact CG2-CD2 3.93Å; T159-F163 HydrophobicContact CG2-CE2 3.78Å; T159-F163 WeakPolarHBondContact O-CD2 3.45Å; T159-F163 PolarHBondContact O-N 3.02Å; M160-F163 PolarHBondContact O-N 2.94Å; F163-R165 VanDerWaalsContact C-N 3.34Å; F163-R165 PolarHBondContact O-N 3.34Å; F163-M166 PolarHBondContact O-N 3.03Å; F163-T167 PolarHBondContact O-N 3.13Å; F163-T167 PolarHBondContact O-OG1 3.11Å; F163-T167 VanDerWaalsContact O-OG1 3.08Å; F163-W176 HydrophobicContact CB-CD2 4.2Å; F163-W176 HydrophobicContact CB-CG 4.1Å; F163-W176 AromaticContact CD1-CD2 3.88Å; F163-W176 HydrophobicContact CD1-CD2 3.88Å; F163-W176 AromaticContact CD1-CE2 3.8Å; F163-W176 AromaticContact CD1-CE3 3.91Å; F163-W176 HydrophobicContact CD1-CE3 3.91Å; F163-W176 AromaticContact CD1-CH2 3.83Å; F163-W176 HydrophobicContact CD1-CH2 3.83Å; F163-W176 AromaticContact CD1-CZ2 3.78Å; F163-W176 HydrophobicContact CD1-CZ2 3.78Å; F163-W176 AromaticContact CD1-CZ3 3.9Å; F163-W176 HydrophobicContact CD1-CZ3 3.9Å; F163-W176 HydrophobicContact CE1-CE3 4.32Å; F163-W176 HydrophobicContact CE1-CH2 4.04Å; F163-W176 HydrophobicContact CE1-CZ2 4.43Å; F163-W176 AromaticContact CE1-CZ3 3.99Å; F163-W176 HydrophobicContact CE1-CZ3 3.99Å; F163-W176 HydrophobicContact CG-CD2 4.33Å
164R96.9Very high95.3Very high108 Ų10845.9 Ų45.941%0.40825%0.246SC..Hα-helixtrans-60.8-40.4175.4-69.3175.9-176.3165.12.6112.4M160 T162 M166 T167 G168 V235M160-R164 WeakPolarHBondContact O-CG 3.44Å; M160-R164 PolarHBondContact O-N 3.09Å; M160-R164 VanDerWaalsContact O-N 3.08Å; T162-R164 VanDerWaalsContact C-N 3.3Å; T162-R164 PolarHBondContact O-N 2.58Å; R164-M166 VanDerWaalsContact C-N 3.35Å; R164-T167 PolarHBondContact O-N 2.83Å; R164-T167 PolarHBondContact O-OG1 3.35Å; R164-G168 WeakPolarHBondContact O-CA 3.29Å; R164-G168 PolarHBondContact O-N 3.1Å; R164-V235 HydrophobicContact CB-CG1 4.05Å; R164-V235 HydrophobicContact CB-CG2 4.08Å
165R96.8Very high95.2Very high95 Ų9553.2 Ų53.236%0.35827%0.273SS..Hα-helixtrans-63.3-42.6177.5-17667.5-176.1121-11.3111.7A161 T162 F163 D232 V235A161-R165 WeakPolarHBondContact O-CB 3.34Å; A161-R165 PolarHBondContact O-N 2.95Å; T162-R165 WeakPolarHBondContact O-CB 3.27Å; T162-R165 PolarHBondContact O-N 2.91Å; T162-R165 VanDerWaalsContact O-N 3.08Å; F163-R165 VanDerWaalsContact C-N 3.34Å; F163-R165 PolarHBondContact O-N 3.34Å; R165-D232 IonicContact CZ-OD1 3.79Å; R165-D232 IonicContact CZ-OD2 2.78Å; R165-D232 PolarHBondContact NE-O 3.19Å; R165-D232 IonicContact NE-OD1 2.75Å; R165-D232 PolarHBondContact NE-OD1 3.41Å; R165-D232 IonicContact NE-OD2 3.76Å; R165-D232 IonicContact NH2-OD1 3.93Å; R165-D232 PolarHBondContact NH2-OD1 3.39Å; R165-D232 IonicContact NH2-OD2 3.9Å; R165-D232 PolarHBondContact NH2-OD2 2.93Å; R165-V235 HydrophobicContact CB-CG1 4.02Å
166M95.2Very high95.2Very high85 Ų8553 Ų5342%0.41927%0.271SS..Hα-helixtrans-69.9-34.5-178-68-69.7175.700112.5A130 R131 I134 T162 F163 R164A130-M166 HydrophobicContact CB-CG 4.36Å; R131-M166 HydrophobicContact CB-CE 4.28Å; R131-M166 HydrophobicContact CB-SD 4.2Å; I134-M166 HydrophobicContact CD1-CB 3.55Å; I134-M166 HydrophobicContact CD1-CG 4.43Å; T162-M166 HydrophobicContact CG2-CE 4.28Å; T162-M166 HydrophobicContact CG2-CG 4.38Å; T162-M166 VanDerWaalsContact O-CG 3.29Å; T162-M166 WeakPolarHBondContact O-CG 3.42Å; T162-M166 PolarHBondContact O-N 2.89Å; F163-M166 PolarHBondContact O-N 3.03Å; R164-M166 VanDerWaalsContact C-N 3.35Å
167T95.6Very high95.1Very high21 Ų2153 Ų5313%0.12927%0.271CS..Hα-helixtrans-86.9-26.5177.255.50000113.5I134 F163 R164 D169 N170 A173 W176I134-T167 HydrophobicContact CD1-CG2 3.83Å; I134-T167 HydrophobicContact CG1-CG2 4.46Å; F163-T167 PolarHBondContact O-N 3.13Å; F163-T167 PolarHBondContact O-OG1 3.11Å; F163-T167 VanDerWaalsContact O-OG1 3.08Å; R164-T167 PolarHBondContact O-N 2.83Å; R164-T167 PolarHBondContact O-OG1 3.35Å; T167-D169 PolarHBondContact O-N 2.82Å; T167-N170 WeakPolarHBondContact O-CB 3.25Å; T167-N170 PolarHBondContact O-N 3.24Å; T167-A173 HydrophobicContact CG2-CB 3.63Å; T167-W176 HydrophobicContact CG2-CZ2 3.59Å; T167-W176 PolarHBondContact OG1-NE1 2.58Å
168G91.7Very high95.1Very high45 Ų4550.7 Ų50.746%0.46426%0.262SS..THydrogen-bonded Turntrans51.6-135.4-176.400000111.9R164 N170R164-G168 WeakPolarHBondContact O-CA 3.29Å; R164-G168 PolarHBondContact O-N 3.1Å; G168-N170 VanDerWaalsContact C-N 3.27Å; G168-N170 PolarHBondContact O-N 2.99Å
169D89Confident95.1Very high169 Ų16951.6 Ų51.690%0.90427%0.266SS*.THydrogen-bonded Turntrans-89.418.2177.3-58.4-38.4000113.1T167 P171T167-D169 PolarHBondContact O-N 2.82Å; D169-P171 WeakPolarHBondContact O-CD 3.25Å
170N92Very high95.1Very high81 Ų8151.6 Ų51.643%0.43327%0.266SS..  trans-61.4111.3178.9-179.93.9000109.9T167 G168 D172 A173T167-N170 WeakPolarHBondContact O-CB 3.25Å; T167-N170 PolarHBondContact O-N 3.24Å; G168-N170 VanDerWaalsContact C-N 3.27Å; G168-N170 PolarHBondContact O-N 2.99Å; N170-D172 PolarHBondContact O-N 3Å; N170-D172 VanDerWaalsContact O-N 3.15Å; N170-D172 WeakPolarHBondContact OD1-CB 3.34Å; N170-D172 PolarHBondContact OD1-N 2.72Å; N170-A173 HydrophobicContact CB-CB 4.19Å; N170-A173 WeakPolarHBondContact O-CB 3.3Å; N170-A173 PolarHBondContact O-N 2.71Å; N170-A173 VanDerWaalsContact O-N 3.13Å
171P87.2Confident95Very high121 Ų12152.4 Ų52.479%0.78627%0.274SS*.THydrogen-bonded Turntrans-67.7-17.4-178.130.6-36.7000112D169D169-P171 WeakPolarHBondContact O-CD 3.25Å
172D89.4Confident94.9Very high94 Ų9453.4 Ų53.450%0.50328%0.278SS..THydrogen-bonded Turntrans-86.4-9.8179.4-72.5-51.7000114R143 N170R143-D172 IonicContact CZ-OD1 3.68Å; R143-D172 VanDerWaalsContact CZ-OD1 3.26Å; R143-D172 IonicContact NH1-OD1 3.7Å; R143-D172 PolarHBondContact NH1-OD1 2.81Å; R143-D172 PolarHBondContact NH2-O 2.94Å; R143-D172 IonicContact NH2-OD1 3.76Å; R143-D172 PolarHBondContact NH2-OD1 3.33Å; N170-D172 PolarHBondContact O-N 3Å; N170-D172 VanDerWaalsContact O-N 3.15Å; N170-D172 WeakPolarHBondContact OD1-CB 3.34Å; N170-D172 PolarHBondContact OD1-N 2.72Å
173A93.3Very high94.8Very high25 Ų2554.5 Ų54.521%0.20728%0.284CS..SBendtrans-66.3146.7-179.600000112.3T167 N170T167-A173 HydrophobicContact CG2-CB 3.63Å; N170-A173 HydrophobicContact CB-CB 4.19Å; N170-A173 WeakPolarHBondContact O-CB 3.3Å; N170-A173 PolarHBondContact O-N 2.71Å; N170-A173 VanDerWaalsContact O-N 3.13Å
174P95.1Very high94.8Very high15 Ų1554.5 Ų54.510%0.09729%0.285CS..  trans-59.2148.2172.1-2131.1000112L137 V144 H145 A147 W176L137-P174 HydrophobicContact CD1-CG 4.41Å; V144-P174 HydrophobicContact CG1-CB 4.25Å; V144-P174 HydrophobicContact CG1-CG 4.2Å; V144-P174 WeakPolarHBondContact O-CG 3.44Å; H145-P174 CarbonylContact O-C 3.51Å; H145-P174 WeakPolarHBondContact O-CA 3.36Å; A147-P174 HydrophobicContact CB-CB 4.49Å; P174-W176 HydrophobicContact CB-CE3 4.22Å; P174-W176 HydrophobicContact CB-CH2 3.88Å; P174-W176 HydrophobicContact CB-CZ2 4.21Å; P174-W176 HydrophobicContact CB-CZ3 3.87Å; P174-W176 HydrophobicContact CG-CH2 3.58Å; P174-W176 HydrophobicContact CG-CZ2 4.02Å; P174-W176 HydrophobicContact CG-CZ3 4.01Å; P174-W176 PolarHBondContact O-N 3.09Å
175R95.4Very high94.8Very high157 Ų15753.7 Ų53.759%0.59229%0.285SS*.EExtended strand (participates in β ladder)trans-68.2114.5162.2-178.9178174.5-177.6-4.8108.9Y35 H145 T146 A147 L177Y35-R175 PolarHBondContact OH-NH2 3.16Å; H145-R175 PolarHBondContact O-N 3.21Å; T146-R175 WeakPolarHBondContact CA-O 3.35Å; A147-R175 PolarHBondContact N-O 3.31Å; R175-L177 HydrophobicContact CG-CD2 4.12Å
176W96.5Very high94.9Very high20 Ų2049.3 Ų49.38%0.07627%0.269CS..EExtended strand (participates in β ladder)trans-83.1124.4176.1-50.2118.5000111.2I41 I134 L137 A147 V149 M160 F163 T167 P174I41-W176 HydrophobicContact CD1-CE3 4.39Å; I41-W176 HydrophobicContact CD1-CH2 4.47Å; I41-W176 HydrophobicContact CD1-CZ3 3.67Å; I134-W176 HydrophobicContact CD1-CZ2 4.23Å; I134-W176 HydrophobicContact CG1-CH2 3.95Å; I134-W176 HydrophobicContact CG1-CZ2 3.86Å; L137-W176 HydrophobicContact CD1-CH2 3.73Å; L137-W176 HydrophobicContact CD1-CZ3 3.95Å; A147-W176 HydrophobicContact CB-CE3 3.83Å; A147-W176 HydrophobicContact CB-CZ3 3.65Å; V149-W176 HydrophobicContact CG2-CE3 4.06Å; M160-W176 HydrophobicContact CE-CB 3.65Å; F163-W176 HydrophobicContact CB-CD2 4.2Å; F163-W176 HydrophobicContact CB-CG 4.1Å; F163-W176 AromaticContact CD1-CD2 3.88Å; F163-W176 HydrophobicContact CD1-CD2 3.88Å; F163-W176 AromaticContact CD1-CE2 3.8Å; F163-W176 AromaticContact CD1-CE3 3.91Å; F163-W176 HydrophobicContact CD1-CE3 3.91Å; F163-W176 AromaticContact CD1-CH2 3.83Å; F163-W176 HydrophobicContact CD1-CH2 3.83Å; F163-W176 AromaticContact CD1-CZ2 3.78Å; F163-W176 HydrophobicContact CD1-CZ2 3.78Å; F163-W176 AromaticContact CD1-CZ3 3.9Å; F163-W176 HydrophobicContact CD1-CZ3 3.9Å; F163-W176 HydrophobicContact CE1-CE3 4.32Å; F163-W176 HydrophobicContact CE1-CH2 4.04Å; F163-W176 HydrophobicContact CE1-CZ2 4.43Å; F163-W176 AromaticContact CE1-CZ3 3.99Å; F163-W176 HydrophobicContact CE1-CZ3 3.99Å; F163-W176 HydrophobicContact CG-CD2 4.33Å; T167-W176 HydrophobicContact CG2-CZ2 3.59Å; T167-W176 PolarHBondContact OG1-NE1 2.58Å; P174-W176 HydrophobicContact CB-CE3 4.22Å; P174-W176 HydrophobicContact CB-CH2 3.88Å; P174-W176 HydrophobicContact CB-CZ2 4.21Å; P174-W176 HydrophobicContact CB-CZ3 3.87Å; P174-W176 HydrophobicContact CG-CH2 3.58Å; P174-W176 HydrophobicContact CG-CZ2 4.02Å; P174-W176 HydrophobicContact CG-CZ3 4.01Å; P174-W176 PolarHBondContact O-N 3.09Å
177L97.1Very high95Very high2 Ų245.7 Ų45.71%0.0125%0.254CS..EExtended strand (participates in β ladder)trans-113.7134.9174.5-56.3177.1000110.1F29 Y35 T146 A147 I148 V149 R175F29-L177 HydrophobicContact CE1-CD1 4.39Å; F29-L177 HydrophobicContact CE2-CB 4.18Å; F29-L177 HydrophobicContact CZ-CB 3.85Å; F29-L177 HydrophobicContact CZ-CD1 3.93Å; F29-L177 HydrophobicContact CZ-CG 4.49Å; Y35-L177 HydrophobicContact CD2-CD1 4.17Å; Y35-L177 HydrophobicContact CE2-CD1 3.25Å; Y35-L177 HydrophobicContact CE2-CD2 4.45Å; Y35-L177 HydrophobicContact CE2-CG 4.45Å; Y35-L177 VanDerWaalsContact CZ-CD1 3.44Å; Y35-L177 VanDerWaalsContact OH-CD1 3.32Å; Y35-L177 WeakPolarHBondContact OH-CD1 3.34Å; Y35-L177 WeakPolarHBondContact OH-CD2 3.37Å; T146-L177 HydrophobicContact CG2-CD1 3.38Å; T146-L177 HydrophobicContact CG2-CG 3.89Å; A147-L177 PolarHBondContact O-N 3.29Å; I148-L177 CarbonylContact C-O 3.54Å; I148-L177 WeakPolarHBondContact CA-O 3.37Å; I148-L177 HydrophobicContact CG1-CB 4.2Å; I148-L177 HydrophobicContact CG1-CD1 4.18Å; V149-L177 PolarHBondContact N-O 3.29Å; R175-L177 HydrophobicContact CG-CD2 4.12Å
178S97.6Very high95.1Very high0 Ų047.8 Ų47.80%026%0.264CS..EExtended strand (participates in β ladder)trans-94.6128.1-177.6-1640000111.8Q26 D28 F29 Q156 M160Q26-S178 WeakPolarHBondContact O-CB 3.22Å; Q26-S178 PolarHBondContact O-OG 3.36Å; D28-S178 PolarHBondContact N-O 3.08Å; D28-S178 WeakPolarHBondContact OD2-CB 3.46Å; D28-S178 PolarHBondContact OD2-N 2.78Å; F29-S178 WeakPolarHBondContact CD2-O 3.4Å; F29-S178 WeakPolarHBondContact CE2-O 3.3Å; Q156-S178 VanDerWaalsContact CG-OG 3.25Å; Q156-S178 WeakPolarHBondContact CG-OG 3.49Å; Q156-S178 PolarHBondContact NE2-OG 3.16Å; M160-S178 VanDerWaalsContact CG-OG 3.3Å; M160-S178 WeakPolarHBondContact CG-OG 3.24Å
179Y98Very high95.2Very high39 Ų3948.9 Ų48.915%0.15326%0.259CS..  trans-143.9114168.5-175.1-122.9000111.4F29 P34 A53 I57 V149 V150 G181F29-Y179 AromaticContact CD2-CD2 3.88Å; F29-Y179 HydrophobicContact CD2-CD2 3.88Å; F29-Y179 HydrophobicContact CD2-CG 4.21Å; F29-Y179 HydrophobicContact CE2-CG 4.44Å; P34-Y179 HydrophobicContact CG-CD1 3.93Å; P34-Y179 HydrophobicContact CG-CD2 4.05Å; P34-Y179 HydrophobicContact CG-CE1 3.9Å; P34-Y179 HydrophobicContact CG-CE2 4.09Å; P34-Y179 HydrophobicContact CG-CG 3.98Å; A53-Y179 HydrophobicContact CB-CE1 3.9Å; I57-Y179 HydrophobicContact CD1-CD1 3.46Å; I57-Y179 VanDerWaalsContact CD1-CD1 3.46Å; I57-Y179 HydrophobicContact CD1-CE1 3.64Å; I57-Y179 HydrophobicContact CD1-CG 4.49Å; V149-Y179 PolarHBondContact O-N 3.07Å; V150-Y179 VanDerWaalsContact CA-O 3.32Å; V150-Y179 WeakPolarHBondContact CA-O 3.28Å; V150-Y179 WeakPolarHBondContact CG1-O 3.42Å; V150-Y179 HydrophobicContact CG2-CD1 4.42Å; V150-Y179 WeakPolarHBondContact CG2-O 3.28Å; Y179-G181 VanDerWaalsContact C-N 3.26Å; Y179-G181 PolarHBondContact O-N 3.16Å; Y179-G181 PolarHBondContact OH-O 3.46Å
180P97.2Very high95.3Very high0 Ų045 Ų450%025%0.25CS..  trans-82.3-4-177.834.1-35000113.1A25 Q26 D27 T50 P153 Q156 F182A25-P180 HydrophobicContact CB-CB 4.14Å; A25-P180 HydrophobicContact CB-CG 4.07Å; Q26-P180 WeakPolarHBondContact O-CD 3.48Å; D27-P180 HydrophobicContact CB-CG 4.18Å; T50-P180 WeakPolarHBondContact CG2-O 3.26Å; T50-P180 PolarHBondContact OG1-O 3.49Å; P153-P180 HydrophobicContact CB-CB 4.14Å; P153-P180 HydrophobicContact CG-CB 4.08Å; Q156-P180 HydrophobicContact CB-CB 4.35Å; Q156-P180 HydrophobicContact CG-CB 4.12Å; P180-F182 PolarHBondContact O-N 3.03Å; P180-F182 VanDerWaalsContact O-N 3.14Å
181G96.2Very high95.4Very high16 Ų1647.5 Ų47.517%0.16526%0.264CS..SBendtrans82.4-39-171.500000113.7A53 Y179A53-G181 VanDerWaalsContact CB-CA 3.44Å; Y179-G181 VanDerWaalsContact C-N 3.26Å; Y179-G181 PolarHBondContact O-N 3.16Å; Y179-G181 PolarHBondContact OH-O 3.46Å
182F96.1Very high95.8Very high25 Ų2542.4 Ų42.411%0.1123%0.231CC..SBendtrans-161.1166.7172.973.9-69.5000110.6V47 P49 P153 P180 P184 L199 L202 W203V47-F182 HydrophobicContact CG1-CE1 3.68Å; V47-F182 HydrophobicContact CG1-CZ 4Å; P49-F182 HydrophobicContact CB-CD1 4Å; P49-F182 HydrophobicContact CB-CE1 4.08Å; P153-F182 HydrophobicContact CG-CD1 4.2Å; P153-F182 HydrophobicContact CG-CE1 3.74Å; P153-F182 HydrophobicContact CG-CZ 4.11Å; P180-F182 PolarHBondContact O-N 3.03Å; P180-F182 VanDerWaalsContact O-N 3.14Å; F182-P184 HydrophobicContact CD2-CG 4.39Å; F182-P184 HydrophobicContact CE2-CB 3.94Å; F182-P184 HydrophobicContact CE2-CG 3.7Å; F182-P184 HydrophobicContact CZ-CG 4Å; F182-L199 HydrophobicContact CB-CD1 4.3Å; F182-L199 HydrophobicContact CD1-CD1 4.46Å; F182-L199 HydrophobicContact CD2-CD1 3.83Å; F182-L199 HydrophobicContact CE2-CD1 4.29Å; F182-L199 HydrophobicContact CG-CD1 3.93Å; F182-L202 HydrophobicContact CE1-CD2 4.12Å; F182-L202 HydrophobicContact CE2-CD2 3.76Å; F182-L202 HydrophobicContact CZ-CD2 3.35Å; F182-W203 HydrophobicContact CE1-CH2 4.44Å; F182-W203 HydrophobicContact CE2-CZ3 4.44Å; F182-W203 AromaticContact CZ-CH2 3.87Å; F182-W203 HydrophobicContact CZ-CH2 3.87Å; F182-W203 AromaticContact CZ-CZ3 3.7Å; F182-W203 HydrophobicContact CZ-CZ3 3.7Å
183V96.7Very high96.1Very high26 Ų2638.2 Ų38.216%0.15821%0.209CC..  trans-103.3121169.3-1770000109.8Q22 A25 N197Q22-V183 HydrophobicContact CB-CG1 4.1Å; A25-V183 HydrophobicContact CB-CG1 4.29Å; A25-V183 HydrophobicContact CB-CG2 4.19Å; V183-N197 PolarHBondContact O-ND2 3.17Å
184P97.5Very high96.3Very high1 Ų139.8 Ų39.81%0.00621%0.213CC..  trans-68.2137.5175.7-14.627.9000111.6P153 F182 F195 N197 W203 Y208P153-P184 HydrophobicContact CB-CG 3.75Å; P153-P184 HydrophobicContact CG-CG 4.18Å; F182-P184 HydrophobicContact CD2-CG 4.39Å; F182-P184 HydrophobicContact CE2-CB 3.94Å; F182-P184 HydrophobicContact CE2-CG 3.7Å; F182-P184 HydrophobicContact CZ-CG 4Å; P184-F195 HydrophobicContact CB-CD1 4.42Å; P184-F195 HydrophobicContact CB-CE1 3.98Å; P184-N197 WeakPolarHBondContact CA-OD1 3.27Å; P184-W203 HydrophobicContact CB-CZ3 4.38Å; P184-W203 HydrophobicContact CG-CH2 4.02Å; P184-W203 HydrophobicContact CG-CZ3 3.96Å; P184-Y208 HydrophobicContact CB-CD2 4.48Å; P184-Y208 HydrophobicContact CB-CE2 3.7Å; P184-Y208 HydrophobicContact CG-CE2 3.79Å
185Q97.9Very high96.4Very high90 Ų9040.3 Ų40.342%0.42121%0.214SC..  trans-131.2130.1174.8-70.1-174.6-1800109.8N18 F195 I196 N197N18-Q185 WeakPolarHBondContact OD1-CA 3.14Å; Q185-F195 WeakPolarHBondContact O-CA 3.45Å; Q185-I196 HydrophobicContact CB-CB 4.37Å; Q185-I196 PolarHBondContact O-N 3.39Å; Q185-N197 PolarHBondContact N-OD1 2.97Å; Q185-N197 PolarHBondContact O-OD1 3.45Å
186L98Very high96.5Very high4 Ų436.5 Ų36.52%0.02121%0.205CC..EExtended strand (participates in β ladder)trans-102156.6172.1-61.5-169.3000111.4I14 I17 N18 V193 I194 F195 V205 Y208 L209I14-L186 HydrophobicContact CD1-CB 4.46Å; I14-L186 WeakPolarHBondContact CG2-O 3.18Å; I17-L186 HydrophobicContact CD1-CD1 4.5Å; I17-L186 HydrophobicContact CG2-CD1 3.83Å; I17-L186 HydrophobicContact CG2-CG 4.23Å; N18-L186 PolarHBondContact ND2-O 3.08Å; N18-L186 PolarHBondContact OD1-N 3.35Å; L186-V193 HydrophobicContact CB-CG1 4.06Å; L186-V193 HydrophobicContact CD1-CG1 3.73Å; L186-V193 HydrophobicContact CD2-CG1 4.42Å; L186-V193 HydrophobicContact CG-CG1 4.31Å; L186-I194 VanDerWaalsContact CA-O 3.3Å; L186-I194 WeakPolarHBondContact CA-O 3.44Å; L186-F195 HydrophobicContact CD2-CB 4.45Å; L186-F195 HydrophobicContact CD2-CD1 3.45Å; L186-F195 VanDerWaalsContact CD2-CD1 3.45Å; L186-F195 HydrophobicContact CD2-CD2 4.11Å; L186-F195 HydrophobicContact CD2-CE1 3.51Å; L186-F195 HydrophobicContact CD2-CE2 4.16Å; L186-F195 HydrophobicContact CD2-CG 3.76Å; L186-F195 HydrophobicContact CD2-CZ 3.88Å; L186-V205 HydrophobicContact CD1-CG1 4.26Å; L186-V205 HydrophobicContact CD2-CG2 4.45Å; L186-Y208 HydrophobicContact CD1-CD1 3.94Å; L186-Y208 HydrophobicContact CD1-CE1 3.96Å; L186-Y208 HydrophobicContact CD2-CD1 4.32Å; L186-Y208 HydrophobicContact CD2-CE1 4.43Å; L186-Y208 HydrophobicContact CG-CD1 4.23Å; L186-Y208 HydrophobicContact CG-CE1 3.99Å; L186-L209 HydrophobicContact CD1-CD2 3.91Å; L186-L209 HydrophobicContact CD1-CG 4.35Å
187G98Very high96.4Very high9 Ų937.2 Ų37.29%0.09321%0.21CC..EExtended strand (participates in β ladder)trans-159172166.500000111.2V193 I194G187-V193 WeakPolarHBondContact O-CA 3.13Å; G187-I194 PolarHBondContact N-O 2.56Å; G187-I194 PolarHBondContact O-N 3.04Å
188N97.2Very high96.2Very high64 Ų6445.7 Ų45.734%0.34225%0.25SC..EExtended strand (participates in β ladder)trans-86.5140.4173.7-68.2-45000110.6T8 L9 S192 V193T8-N188 WeakPolarHBondContact CA-OD1 3.38Å; T8-N188 WeakPolarHBondContact CB-OD1 3.48Å; T8-N188 HydrophobicContact CG2-CB 4.18Å; L9-N188 PolarHBondContact N-OD1 3.05Å; L9-N188 VanDerWaalsContact N-OD1 3.07Å; L9-N188 PolarHBondContact O-ND2 3.07Å; N188-S192 WeakPolarHBondContact CA-O 3.39Å; N188-V193 WeakPolarHBondContact OD1-CG2 3.47Å
189N94.3Very high96Very high69 Ų6949.4 Ų49.437%0.36927%0.269SS..  trans-97.7-16215270.718.3000109.3D191 S192 I194N189-D191 VanDerWaalsContact C-N 3.28Å; N189-D191 PolarHBondContact O-N 3.38Å; N189-D191 PolarHBondContact OD1-N 3.46Å; N189-S192 VanDerWaalsContact CG-OG 3.27Å; N189-S192 PolarHBondContact N-O 3.22Å; N189-S192 PolarHBondContact ND2-OG 3.12Å; N189-S192 VanDerWaalsContact ND2-OG 3.07Å; N189-S192 WeakPolarHBondContact OD1-CA 3.18Å; N189-S192 PolarHBondContact OD1-N 3.08Å; N189-S192 PolarHBondContact OD1-O 3Å; N189-S192 PolarHBondContact OD1-OG 3.18Å; N189-I194 HydrophobicContact CB-CD1 4.14Å; N189-I194 HydrophobicContact CB-CG1 4.49Å; N189-I194 WeakPolarHBondContact ND2-CG2 3.29Å
190A91.8Very high95.7Very high87 Ų8754 Ų5472%0.71929%0.292SS*.SBendtrans-53.9-42.8-178.900000113.3
191D92.6Very high95.6Very high134 Ų13455.2 Ų55.272%0.71730%0.304SS*.SBendtrans-130.6-1.8-165.3-52.9-41.5000113.8N189N189-D191 VanDerWaalsContact C-N 3.28Å; N189-D191 PolarHBondContact O-N 3.38Å; N189-D191 PolarHBondContact OD1-N 3.46Å
192S95.3Very high95.6Very high14 Ų1456 Ų5610%0.09830%0.304CS..SBendtrans-156.9160.8-17261.40000114.7F6 T8 N188 N189F6-S192 CarbonylContact O-C 3.55Å; F6-S192 WeakPolarHBondContact O-CA 3.45Å; F6-S192 WeakPolarHBondContact O-CB 3.27Å; T8-S192 VanDerWaalsContact CG2-N 3.32Å; N188-S192 WeakPolarHBondContact CA-O 3.39Å; N189-S192 VanDerWaalsContact CG-OG 3.27Å; N189-S192 PolarHBondContact N-O 3.22Å; N189-S192 PolarHBondContact ND2-OG 3.12Å; N189-S192 VanDerWaalsContact ND2-OG 3.07Å; N189-S192 WeakPolarHBondContact OD1-CA 3.18Å; N189-S192 PolarHBondContact OD1-N 3.08Å; N189-S192 PolarHBondContact OD1-O 3Å; N189-S192 PolarHBondContact OD1-OG 3.18Å
193V96.9Very high95.5Very high5 Ų555.4 Ų55.43%0.0330%0.301CS..EExtended strand (participates in β ladder)trans-80.1135.5164.6176.40000109.9F6 P7 L9 I14 L186 G187 N188 V205F6-V193 HydrophobicContact CB-CB 4.46Å; F6-V193 HydrophobicContact CD1-CB 4.1Å; F6-V193 HydrophobicContact CD1-CG2 4.11Å; F6-V193 PolarHBondContact O-N 2.96Å; P7-V193 VanDerWaalsContact O-CG2 3.28Å; P7-V193 WeakPolarHBondContact O-CG2 3.33Å; L9-V193 HydrophobicContact CB-CG2 4.23Å; L9-V193 HydrophobicContact CD1-CG2 4.05Å; L9-V193 HydrophobicContact CG-CG2 3.84Å; I14-V193 HydrophobicContact CD1-CG1 4.19Å; I14-V193 HydrophobicContact CD1-CG2 3.95Å; L186-V193 HydrophobicContact CB-CG1 4.06Å; L186-V193 HydrophobicContact CD1-CG1 3.73Å; L186-V193 HydrophobicContact CD2-CG1 4.42Å; L186-V193 HydrophobicContact CG-CG1 4.31Å; G187-V193 WeakPolarHBondContact O-CA 3.13Å; N188-V193 WeakPolarHBondContact OD1-CG2 3.47Å; V193-V205 HydrophobicContact CB-CG1 4.18Å; V193-V205 HydrophobicContact CG1-CG1 3.74Å
194I96.5Very high95.4Very high59 Ų5958.1 Ų58.130%0.30332%0.32SS..EExtended strand (participates in β ladder)trans-135161.117860.9165.1000111.2L186 G187 N189 I196L186-I194 VanDerWaalsContact CA-O 3.3Å; L186-I194 WeakPolarHBondContact CA-O 3.44Å; G187-I194 PolarHBondContact N-O 2.56Å; G187-I194 PolarHBondContact O-N 3.04Å; N189-I194 HydrophobicContact CB-CD1 4.14Å; N189-I194 HydrophobicContact CB-CG1 4.49Å; N189-I194 WeakPolarHBondContact ND2-CG2 3.29Å; I194-I196 HydrophobicContact CD1-CD1 4.41Å; I194-I196 HydrophobicContact CG1-CD1 4.29Å
195F97.4Very high95.2Very high26 Ų2659 Ų5911%0.11433%0.325CS..EExtended strand (participates in β ladder)trans-72130.9161.5-73.4-82.4000109.8P184 Q185 L186 L202 W203 V205 Y208P184-F195 HydrophobicContact CB-CD1 4.42Å; P184-F195 HydrophobicContact CB-CE1 3.98Å; Q185-F195 WeakPolarHBondContact O-CA 3.45Å; L186-F195 HydrophobicContact CD2-CB 4.45Å; L186-F195 HydrophobicContact CD2-CD1 3.45Å; L186-F195 VanDerWaalsContact CD2-CD1 3.45Å; L186-F195 HydrophobicContact CD2-CD2 4.11Å; L186-F195 HydrophobicContact CD2-CE1 3.51Å; L186-F195 HydrophobicContact CD2-CE2 4.16Å; L186-F195 HydrophobicContact CD2-CG 3.76Å; L186-F195 HydrophobicContact CD2-CZ 3.88Å; F195-L202 HydrophobicContact CB-CD1 3.79Å; F195-L202 HydrophobicContact CD1-CD1 3.94Å; F195-L202 HydrophobicContact CD2-CB 4.43Å; F195-L202 HydrophobicContact CD2-CD1 4.12Å; F195-L202 HydrophobicContact CE2-CB 4.48Å; F195-L202 HydrophobicContact CG-CD1 3.67Å; F195-W203 HydrophobicContact CE1-CE3 4.33Å; F195-W203 HydrophobicContact CE1-CZ3 4.48Å; F195-W203 WeakPolarHBondContact CE2-O 3.37Å; F195-W203 AromaticContact CZ-CE3 3.97Å; F195-W203 HydrophobicContact CZ-CE3 3.97Å; F195-V205 HydrophobicContact CD2-CG2 4.03Å; F195-V205 HydrophobicContact CE2-CG2 3.91Å; F195-Y208 HydrophobicContact CE1-CD1 4.06Å; F195-Y208 HydrophobicContact CE1-CD2 4.33Å; F195-Y208 HydrophobicContact CE1-CE1 4.4Å; F195-Y208 HydrophobicContact CE1-CG 4.01Å; F195-Y208 AromaticContact CZ-CD1 3.93Å; F195-Y208 HydrophobicContact CZ-CD1 3.93Å; F195-Y208 HydrophobicContact CZ-CD2 4.25Å; F195-Y208 AromaticContact CZ-CG 3.66Å; F195-Y208 HydrophobicContact CZ-CG 3.66Å
196I97.2Very high95.1Very high77 Ų7758 Ų5840%0.39532%0.321SS..  trans-78.5-31173.6-58.3-57.2000110.3Q185 I194 Q198Q185-I196 HydrophobicContact CB-CB 4.37Å; Q185-I196 PolarHBondContact O-N 3.39Å; I194-I196 HydrophobicContact CD1-CD1 4.41Å; I194-I196 HydrophobicContact CG1-CD1 4.29Å; I196-Q198 PolarHBondContact O-N 2.95Å; I196-Q198 PolarHBondContact O-NE2 2.91Å
197N95.2Very high94.8Very high34 Ų3460 Ų6018%0.18233%0.328CS..SBendtrans-56.5122.9173.7-49.293.5000109.8V183 P184 Q185 L199 L202V183-N197 PolarHBondContact O-ND2 3.17Å; P184-N197 WeakPolarHBondContact CA-OD1 3.27Å; Q185-N197 PolarHBondContact N-OD1 2.97Å; Q185-N197 PolarHBondContact O-OD1 3.45Å; N197-L199 HydrophobicContact CB-CD1 4.11Å; N197-L199 HydrophobicContact CB-CG 4.21Å; N197-L199 PolarHBondContact O-N 3.42Å; N197-L202 HydrophobicContact CB-CD1 4.39Å
198Q92.3Very high94.8Very high181 Ų18159.6 Ų59.685%0.84632%0.323SS*.  trans-81.157.9176.9-59.6-60.9-59.100110.7I196I196-Q198 PolarHBondContact O-N 2.95Å; I196-Q198 PolarHBondContact O-NE2 2.91Å
199L93.5Very high94.8Very high78 Ų7856.6 Ų56.641%0.40831%0.307SS..  trans-121.1146.9-176.7-62.2173.5000110.7P49 F182 N197 L202P49-L199 HydrophobicContact CB-CD1 4.02Å; P49-L199 HydrophobicContact CG-CB 3.9Å; P49-L199 HydrophobicContact CG-CD1 4.07Å; P49-L199 HydrophobicContact CG-CG 4.43Å; F182-L199 HydrophobicContact CB-CD1 4.3Å; F182-L199 HydrophobicContact CD1-CD1 4.46Å; F182-L199 HydrophobicContact CD2-CD1 3.83Å; F182-L199 HydrophobicContact CE2-CD1 4.29Å; F182-L199 HydrophobicContact CG-CD1 3.93Å; N197-L199 HydrophobicContact CB-CD1 4.11Å; N197-L199 HydrophobicContact CB-CG 4.21Å; N197-L199 PolarHBondContact O-N 3.42Å; L199-L202 HydrophobicContact CB-CD1 4.22Å; L199-L202 HydrophobicContact CB-CD2 4.2Å; L199-L202 HydrophobicContact CB-CG 4.21Å
200Q92.9Very high94.8Very high135 Ų13556.4 Ų56.463%0.63131%0.311SS*.SBendtrans-96.7160.9174-64.1-172.15.300111.1P49 L202P49-Q200 VanDerWaalsContact CD-O 3.32Å; P49-Q200 WeakPolarHBondContact CD-O 3.23Å; P49-Q200 VanDerWaalsContact CG-O 3.31Å; P49-Q200 WeakPolarHBondContact CG-O 3.27Å; Q200-L202 VanDerWaalsContact C-N 3.27Å; Q200-L202 PolarHBondContact O-N 3.46Å
201G94.7Very high95Very high25 Ų2553.4 Ų53.426%0.25828%0.283SS..SBendtrans70.324.2178.200000114.1M48M48-G201 PolarHBondContact N-O 2.9Å; M48-G201 VanDerWaalsContact N-O 3.12Å
202L96Very high95.2Very high32 Ų3247 Ų4717%0.16825%0.249CC..PPolyproline II helixtrans-77164.9167.3-58.2-175.6000110.7V47 P49 F182 F195 N197 L199 Q200V47-L202 HydrophobicContact CG1-CD2 4.49Å; P49-L202 HydrophobicContact CG-CD2 3.88Å; F182-L202 HydrophobicContact CE1-CD2 4.12Å; F182-L202 HydrophobicContact CE2-CD2 3.76Å; F182-L202 HydrophobicContact CZ-CD2 3.35Å; F195-L202 HydrophobicContact CB-CD1 3.79Å; F195-L202 HydrophobicContact CD1-CD1 3.94Å; F195-L202 HydrophobicContact CD2-CB 4.43Å; F195-L202 HydrophobicContact CD2-CD1 4.12Å; F195-L202 HydrophobicContact CE2-CB 4.48Å; F195-L202 HydrophobicContact CG-CD1 3.67Å; N197-L202 HydrophobicContact CB-CD1 4.39Å; L199-L202 HydrophobicContact CB-CD1 4.22Å; L199-L202 HydrophobicContact CB-CD2 4.2Å; L199-L202 HydrophobicContact CB-CG 4.21Å; Q200-L202 VanDerWaalsContact C-N 3.27Å; Q200-L202 PolarHBondContact O-N 3.46Å
203W94.2Very high95.2Very high13 Ų1347.9 Ų47.95%0.04925%0.254CS..PPolyproline II helixtrans-61.8156.2169.9-41.3-104000111V47 D152 P153 T154 F182 P184 F195 R207 Y208V47-W203 HydrophobicContact CB-CH2 4.41Å; V47-W203 HydrophobicContact CB-CZ2 4.08Å; V47-W203 HydrophobicContact CG1-CH2 3.64Å; V47-W203 HydrophobicContact CG1-CZ2 3.8Å; V47-W203 HydrophobicContact CG1-CZ3 4.07Å; V47-W203 HydrophobicContact CG2-CD2 4.22Å; V47-W203 HydrophobicContact CG2-CH2 3.88Å; V47-W203 HydrophobicContact CG2-CZ2 3.1Å; D152-W203 VanDerWaalsContact CG-CZ2 3.49Å; D152-W203 VanDerWaalsContact OD1-CZ2 3.27Å; D152-W203 WeakPolarHBondContact OD1-CZ2 3.47Å; D152-W203 WeakPolarHBondContact OD2-CZ2 3.35Å; D152-W203 PolarHBondContact OD2-NE1 3.39Å; P153-W203 HydrophobicContact CB-CH2 4.21Å; P153-W203 HydrophobicContact CG-CH2 3.83Å; P153-W203 HydrophobicContact CG-CZ2 4.46Å; T154-W203 HydrophobicContact CG2-CZ2 4.49Å; F182-W203 HydrophobicContact CE1-CH2 4.44Å; F182-W203 HydrophobicContact CE2-CZ3 4.44Å; F182-W203 AromaticContact CZ-CH2 3.87Å; F182-W203 HydrophobicContact CZ-CH2 3.87Å; F182-W203 AromaticContact CZ-CZ3 3.7Å; F182-W203 HydrophobicContact CZ-CZ3 3.7Å; P184-W203 HydrophobicContact CB-CZ3 4.38Å; P184-W203 HydrophobicContact CG-CH2 4.02Å; P184-W203 HydrophobicContact CG-CZ3 3.96Å; F195-W203 HydrophobicContact CE1-CE3 4.33Å; F195-W203 HydrophobicContact CE1-CZ3 4.48Å; F195-W203 WeakPolarHBondContact CE2-O 3.37Å; F195-W203 AromaticContact CZ-CE3 3.97Å; F195-W203 HydrophobicContact CZ-CE3 3.97Å; W203-R207 HydrophobicContact CB-CB 4.19Å; W203-R207 HydrophobicContact CB-CG 4.23Å; W203-R207 HydrophobicContact CG-CG 4.49Å; W203-Y208 HydrophobicContact CD2-CD2 4.42Å; W203-Y208 HydrophobicContact CE3-CD2 4.04Å; W203-Y208 HydrophobicContact CH2-CD2 4.48Å; W203-Y208 HydrophobicContact CZ3-CD2 4.09Å
204P93.2Very high95.1Very high84 Ų8448.7 Ų48.755%0.54526%0.263SS..PPolyproline II helixtrans-56144152.8-21.233.3000110.3E206 R207 Y208P204-E206 VanDerWaalsContact C-N 3.27Å; P204-E206 PolarHBondContact O-N 3.29Å; P204-R207 HydrophobicContact CB-CB 4.47Å; P204-R207 WeakPolarHBondContact O-CB 3.34Å; P204-R207 PolarHBondContact O-N 3.25Å; P204-Y208 PolarHBondContact O-N 3.46Å; P204-Y208 VanDerWaalsContact O-N 3.08Å
205V94.9Very high95.1Very high20 Ų2045.9 Ų45.912%0.12125%0.248CC..Hα-helixtrans-51.6-45.8-178.3168.70000112.2F6 L186 V193 F195 R207 Y208 L209F6-V205 HydrophobicContact CB-CB 4.32Å; F6-V205 HydrophobicContact CB-CG1 3.92Å; F6-V205 HydrophobicContact CD1-CG1 4.3Å; F6-V205 HydrophobicContact CD2-CG1 4.23Å; F6-V205 HydrophobicContact CG-CG1 3.87Å; L186-V205 HydrophobicContact CD1-CG1 4.26Å; L186-V205 HydrophobicContact CD2-CG2 4.45Å; V193-V205 HydrophobicContact CB-CG1 4.18Å; V193-V205 HydrophobicContact CG1-CG1 3.74Å; F195-V205 HydrophobicContact CD2-CG2 4.03Å; F195-V205 HydrophobicContact CE2-CG2 3.91Å; V205-R207 VanDerWaalsContact C-N 3.34Å; V205-R207 PolarHBondContact O-N 2.93Å; V205-Y208 PolarHBondContact O-N 2.85Å; V205-L209 HydrophobicContact CG1-CD1 3.81Å; V205-L209 HydrophobicContact CG1-CG 4.32Å; V205-L209 WeakPolarHBondContact O-CG 3.2Å; V205-L209 PolarHBondContact O-N 3.14Å
206E94.1Very high95.1Very high69 Ų6944.6 Ų44.632%0.32224%0.243SC..Hα-helixtrans-55.5-47.4177.3179.3-165.6158.500112.5F6 P204 Y208 L209 S210 R263F6-E206 HydrophobicContact CD2-CB 4.26Å; P204-E206 VanDerWaalsContact C-N 3.27Å; P204-E206 PolarHBondContact O-N 3.29Å; E206-Y208 VanDerWaalsContact C-N 3.33Å; E206-Y208 PolarHBondContact O-N 2.94Å; E206-L209 PolarHBondContact O-N 3.21Å; E206-S210 WeakPolarHBondContact O-CB 3.35Å; E206-S210 PolarHBondContact O-N 3.41Å; E206-R263 VanDerWaalsContact CD-CB 3.42Å; E206-R263 HydrophobicContact CG-CB 4.28Å; E206-R263 WeakPolarHBondContact OE1-CB 3.47Å; E206-R263 WeakPolarHBondContact OE2-CD 3.23Å; E206-R263 IonicContact OE2-NE 3.99Å
207R93.6Very high95.1Very high45 Ų4543.4 Ų43.417%0.1724%0.24CC..Hα-helixtrans-63.6-42.4-179.9176.1177.917880.2-1110.6F77 W203 P204 V205 S210 L211F77-R207 VanDerWaalsContact CB-NH2 3.3Å; W203-R207 HydrophobicContact CB-CB 4.19Å; W203-R207 HydrophobicContact CB-CG 4.23Å; W203-R207 HydrophobicContact CG-CG 4.49Å; P204-R207 HydrophobicContact CB-CB 4.47Å; P204-R207 WeakPolarHBondContact O-CB 3.34Å; P204-R207 PolarHBondContact O-N 3.25Å; V205-R207 VanDerWaalsContact C-N 3.34Å; V205-R207 PolarHBondContact O-N 2.93Å; R207-S210 PolarHBondContact O-N 3.4Å; R207-L211 HydrophobicContact CG-CD1 4.06Å; R207-L211 HydrophobicContact CG-CG 4.48Å; R207-L211 WeakPolarHBondContact O-CB 3.42Å; R207-L211 VanDerWaalsContact O-CG 3.28Å; R207-L211 WeakPolarHBondContact O-CG 3.39Å; R207-L211 PolarHBondContact O-N 3.1Å
208Y96.6Very high95.2Very high1 Ų145.9 Ų45.90%0.00425%0.247CC..Hα-helixtrans-61.4-45.4175.9171.2-104.5000112.2I17 G21 T154 P184 L186 F195 W203 P204 V205 E206 S210 L211 L212I17-Y208 HydrophobicContact CG2-CE1 3.95Å; G21-Y208 WeakPolarHBondContact CA-OH 3.41Å; T154-Y208 HydrophobicContact CG2-CD2 3.61Å; T154-Y208 HydrophobicContact CG2-CE2 3.56Å; P184-Y208 HydrophobicContact CB-CD2 4.48Å; P184-Y208 HydrophobicContact CB-CE2 3.7Å; P184-Y208 HydrophobicContact CG-CE2 3.79Å; L186-Y208 HydrophobicContact CD1-CD1 3.94Å; L186-Y208 HydrophobicContact CD1-CE1 3.96Å; L186-Y208 HydrophobicContact CD2-CD1 4.32Å; L186-Y208 HydrophobicContact CD2-CE1 4.43Å; L186-Y208 HydrophobicContact CG-CD1 4.23Å; L186-Y208 HydrophobicContact CG-CE1 3.99Å; F195-Y208 HydrophobicContact CE1-CD1 4.06Å; F195-Y208 HydrophobicContact CE1-CD2 4.33Å; F195-Y208 HydrophobicContact CE1-CE1 4.4Å; F195-Y208 HydrophobicContact CE1-CG 4.01Å; F195-Y208 AromaticContact CZ-CD1 3.93Å; F195-Y208 HydrophobicContact CZ-CD1 3.93Å; F195-Y208 HydrophobicContact CZ-CD2 4.25Å; F195-Y208 AromaticContact CZ-CG 3.66Å; F195-Y208 HydrophobicContact CZ-CG 3.66Å; W203-Y208 HydrophobicContact CD2-CD2 4.42Å; W203-Y208 HydrophobicContact CE3-CD2 4.04Å; W203-Y208 HydrophobicContact CH2-CD2 4.48Å; W203-Y208 HydrophobicContact CZ3-CD2 4.09Å; P204-Y208 PolarHBondContact O-N 3.46Å; P204-Y208 VanDerWaalsContact O-N 3.08Å; V205-Y208 PolarHBondContact O-N 2.85Å; E206-Y208 VanDerWaalsContact C-N 3.33Å; E206-Y208 PolarHBondContact O-N 2.94Å; Y208-S210 PolarHBondContact O-N 2.62Å; Y208-L211 PolarHBondContact O-N 3.35Å; Y208-L212 HydrophobicContact CE1-CD1 3.98Å; Y208-L212 HydrophobicContact CE2-CD1 4.41Å; Y208-L212 VanDerWaalsContact O-CB 3.27Å; Y208-L212 WeakPolarHBondContact O-CB 3.27Å; Y208-L212 PolarHBondContact O-N 3.19Å; Y208-L212 WeakPolarHBondContact OH-CD1 3.42Å
209L96.7Very high95.5Very high0 Ų037.3 Ų37.30%021%0.207CC..Hα-helixtrans-63.5-40.4177.4-68.2171.8000112.1F6 I17 L186 V205 E206 T213 L256 M260F6-L209 HydrophobicContact CD1-CD1 4.21Å; F6-L209 HydrophobicContact CD2-CD1 4.22Å; F6-L209 HydrophobicContact CE1-CD1 3.7Å; F6-L209 HydrophobicContact CE2-CD1 3.69Å; F6-L209 HydrophobicContact CG-CD1 4.47Å; F6-L209 HydrophobicContact CZ-CD1 3.41Å; F6-L209 VanDerWaalsContact CZ-CD1 3.41Å; I17-L209 HydrophobicContact CD1-CD2 3.59Å; I17-L209 HydrophobicContact CG1-CD2 3.86Å; I17-L209 HydrophobicContact CG2-CD2 3.98Å; L186-L209 HydrophobicContact CD1-CD2 3.91Å; L186-L209 HydrophobicContact CD1-CG 4.35Å; V205-L209 HydrophobicContact CG1-CD1 3.81Å; V205-L209 HydrophobicContact CG1-CG 4.32Å; V205-L209 WeakPolarHBondContact O-CG 3.2Å; V205-L209 PolarHBondContact O-N 3.14Å; E206-L209 PolarHBondContact O-N 3.21Å; L209-T213 WeakPolarHBondContact O-CB 3.45Å; L209-T213 WeakPolarHBondContact O-CG2 3.45Å; L209-T213 PolarHBondContact O-N 3.33Å; L209-T213 PolarHBondContact O-OG1 3.39Å; L209-L256 HydrophobicContact CD1-CD1 4Å; L209-M260 HydrophobicContact CB-SD 4.5Å
210S94.7Very high95.7Very high65 Ų6538.2 Ų38.246%0.45521%0.205SC..Hα-helixtrans-61.8-45174.41780000112.2E206 R207 Y208 T213 G214E206-S210 WeakPolarHBondContact O-CB 3.35Å; E206-S210 PolarHBondContact O-N 3.41Å; R207-S210 PolarHBondContact O-N 3.4Å; Y208-S210 PolarHBondContact O-N 2.62Å; S210-T213 PolarHBondContact O-OG1 3.14Å; S210-G214 PolarHBondContact O-N 2.8Å
211L95.6Very high95.9Very high24 Ų2433.3 Ų33.313%0.12618%0.183CC..Hα-helixtrans-63.8-50.9176.4-71.5170.9000111.4T154 M155 R207 Y208 T213 G214 E215T154-L211 HydrophobicContact CG2-CB 4.04Å; M155-L211 HydrophobicContact CE-CD2 3.71Å; R207-L211 HydrophobicContact CG-CD1 4.06Å; R207-L211 HydrophobicContact CG-CG 4.48Å; R207-L211 WeakPolarHBondContact O-CB 3.42Å; R207-L211 VanDerWaalsContact O-CG 3.28Å; R207-L211 WeakPolarHBondContact O-CG 3.39Å; R207-L211 PolarHBondContact O-N 3.1Å; Y208-L211 PolarHBondContact O-N 3.35Å; L211-T213 PolarHBondContact O-N 2.8Å; L211-G214 PolarHBondContact O-N 3.49Å; L211-E215 VanDerWaalsContact O-CG 3.3Å; L211-E215 WeakPolarHBondContact O-CG 3.23Å; L211-E215 PolarHBondContact O-N 3.46Å
212L97.1Very high96.1Very high0 Ų033.5 Ų33.50%018%0.178CC..Hα-helixtrans-56.4-49.5-178.9179.1145.7000111.8I17 I20 L24 Y208 E215 L250I17-L212 HydrophobicContact CG2-CD1 4.13Å; I20-L212 HydrophobicContact CB-CD1 4.26Å; I20-L212 HydrophobicContact CB-CD2 4.11Å; I20-L212 HydrophobicContact CB-CG 4.37Å; I20-L212 HydrophobicContact CD1-CD2 4.32Å; I20-L212 HydrophobicContact CG2-CD1 3.91Å; I20-L212 HydrophobicContact CG2-CD2 3.6Å; I20-L212 HydrophobicContact CG2-CG 3.61Å; L24-L212 HydrophobicContact CD1-CB 4.32Å; L24-L212 HydrophobicContact CD1-CD1 4.43Å; L24-L212 HydrophobicContact CD1-CG 3.89Å; Y208-L212 HydrophobicContact CE1-CD1 3.98Å; Y208-L212 HydrophobicContact CE2-CD1 4.41Å; Y208-L212 VanDerWaalsContact O-CB 3.27Å; Y208-L212 WeakPolarHBondContact O-CB 3.27Å; Y208-L212 PolarHBondContact O-N 3.19Å; Y208-L212 WeakPolarHBondContact OH-CD1 3.42Å; L212-E215 PolarHBondContact O-N 3.4Å; L212-L250 HydrophobicContact CD2-CD1 3.83Å
213T95.4Very high96.2Very high33 Ų3336.2 Ų36.220%0.20220%0.199CC..Hα-helixtrans-70.3-31.8-179.853.60000112.7L209 S210 L211 P217 L250 M260L209-T213 WeakPolarHBondContact O-CB 3.45Å; L209-T213 WeakPolarHBondContact O-CG2 3.45Å; L209-T213 PolarHBondContact O-N 3.33Å; L209-T213 PolarHBondContact O-OG1 3.39Å; S210-T213 PolarHBondContact O-OG1 3.14Å; L211-T213 PolarHBondContact O-N 2.8Å; T213-P217 WeakPolarHBondContact O-CD 3.35Å; T213-L250 HydrophobicContact CG2-CD1 4.24Å; T213-M260 HydrophobicContact CG2-SD 4.44Å
214G95.2Very high96.2Very high21 Ų2141.7 Ų41.722%0.21623%0.23CC..Hα-helixtrans-73.8-24.8176.800000114.5S210 L211 R218S210-G214 PolarHBondContact O-N 2.8Å; L211-G214 PolarHBondContact O-N 3.49Å; G214-R218 PolarHBondContact O-NH1 2.97Å
215E96.9Very high96.4Very high0 Ų037.7 Ų37.70%020%0.204CC..Hα-helixtrans-78.4-34.2-179.7-75.7-67.6117.100113.3L24 T154 M155 R158 L211 L212 R218 L219L24-E215 HydrophobicContact CD1-CB 4.25Å; L24-E215 HydrophobicContact CD2-CB 4.11Å; T154-E215 WeakPolarHBondContact O-CG 3.43Å; M155-E215 HydrophobicContact CG-CG 4.48Å; R158-E215 IonicContact CZ-OE1 3.28Å; R158-E215 IonicContact CZ-OE2 3.17Å; R158-E215 VanDerWaalsContact CZ-OE2 3.3Å; R158-E215 IonicContact NE-OE1 3.13Å; R158-E215 PolarHBondContact NE-OE1 2.9Å; R158-E215 IonicContact NE-OE2 2.69Å; R158-E215 PolarHBondContact NE-OE2 3.07Å; R158-E215 VanDerWaalsContact NH2-CD 3.34Å; R158-E215 IonicContact NH2-OE1 3.3Å; R158-E215 PolarHBondContact NH2-OE1 3.46Å; R158-E215 IonicContact NH2-OE2 2.69Å; R158-E215 PolarHBondContact NH2-OE2 3.44Å; R158-E215 VanDerWaalsContact NH2-OE2 3.13Å; L211-E215 VanDerWaalsContact O-CG 3.3Å; L211-E215 WeakPolarHBondContact O-CG 3.23Å; L211-E215 PolarHBondContact O-N 3.46Å; L212-E215 PolarHBondContact O-N 3.4Å; E215-R218 WeakPolarHBondContact O-CB 3.47Å; E215-R218 PolarHBondContact O-N 3Å; E215-R218 VanDerWaalsContact O-N 3.12Å; E215-R218 WeakPolarHBondContact OE1-CD 3.48Å; E215-R218 IonicContact OE1-CZ 2.94Å; E215-R218 IonicContact OE1-NE 2.7Å; E215-R218 IonicContact OE1-NH1 2.95Å; E215-R218 PolarHBondContact OE1-NH1 2.89Å; E215-L219 PolarHBondContact O-N 3.33Å; E215-L219 VanDerWaalsContact O-N 3.11Å
216L97.3Very high96.6Very high0 Ų039.8 Ų39.80%021%0.21CC..Hα-helixtrans-54.1-51.7179.9-65.5176000114.1I20 W23 R218 L219 F239 V243 W247I20-L216 HydrophobicContact CD1-CD1 3.93Å; I20-L216 HydrophobicContact CG1-CD1 4.39Å; I20-L216 HydrophobicContact CG2-CD1 4.04Å; I20-L216 HydrophobicContact CG2-CD2 3.72Å; I20-L216 HydrophobicContact CG2-CG 4.14Å; W23-L216 HydrophobicContact CE3-CD2 4.23Å; W23-L216 HydrophobicContact CZ3-CD2 3.78Å; L216-R218 VanDerWaalsContact C-N 3.3Å; L216-R218 PolarHBondContact O-N 3.08Å; L216-L219 PolarHBondContact O-N 3.03Å; L216-F239 HydrophobicContact CD2-CE1 4.17Å; L216-F239 WeakPolarHBondContact O-CZ 3.4Å; L216-V243 HydrophobicContact CD2-CG1 4.43Å; L216-W247 HydrophobicContact CB-CD2 3.89Å; L216-W247 HydrophobicContact CB-CE3 4.1Å; L216-W247 HydrophobicContact CB-CH2 3.86Å; L216-W247 HydrophobicContact CB-CZ2 3.64Å; L216-W247 HydrophobicContact CB-CZ3 4.07Å; L216-W247 HydrophobicContact CD1-CB 3.95Å; L216-W247 HydrophobicContact CD1-CD2 3.65Å; L216-W247 HydrophobicContact CD1-CE3 4.39Å; L216-W247 HydrophobicContact CD1-CG 3.41Å; L216-W247 VanDerWaalsContact CD1-CG 3.41Å; L216-W247 HydrophobicContact CG-CD2 4.34Å
217P97Very high96.8Very high52 Ų5236.5 Ų36.534%0.33820%0.195SC..Hα-helixtrans-65.2-32177.722.9-30.3000112.9T213 L219 R220 G225 W247T213-P217 WeakPolarHBondContact O-CD 3.35Å; P217-L219 VanDerWaalsContact C-N 3.28Å; P217-L219 PolarHBondContact O-N 2.88Å; P217-R220 PolarHBondContact O-N 2.74Å; P217-G225 WeakPolarHBondContact O-CA 3.46Å; P217-W247 HydrophobicContact CB-CH2 4.17Å; P217-W247 HydrophobicContact CB-CZ2 4.26Å; P217-W247 HydrophobicContact CG-CZ2 4.4Å
218R97.5Very high97Very high85 Ų8537.3 Ų37.332%0.32121%0.206SC..Hα-helixtrans-63.9-35176.3-63.4177.7-177.8118.710.7111.9G214 E215 L216 R220 Y226G214-R218 PolarHBondContact O-NH1 2.97Å; E215-R218 WeakPolarHBondContact O-CB 3.47Å; E215-R218 PolarHBondContact O-N 3Å; E215-R218 VanDerWaalsContact O-N 3.12Å; E215-R218 WeakPolarHBondContact OE1-CD 3.48Å; E215-R218 IonicContact OE1-CZ 2.94Å; E215-R218 IonicContact OE1-NE 2.7Å; E215-R218 IonicContact OE1-NH1 2.95Å; E215-R218 PolarHBondContact OE1-NH1 2.89Å; L216-R218 VanDerWaalsContact C-N 3.3Å; L216-R218 PolarHBondContact O-N 3.08Å; R218-R220 VanDerWaalsContact C-N 3.27Å; R218-R220 PolarHBondContact O-N 3.42Å; R218-Y226 HydrophobicContact CB-CD1 4.34Å; R218-Y226 HydrophobicContact CB-CD2 3.96Å; R218-Y226 HydrophobicContact CB-CE1 4.28Å; R218-Y226 HydrophobicContact CB-CE2 3.91Å; R218-Y226 HydrophobicContact CB-CG 4.17Å; R218-Y226 HydrophobicContact CG-CD2 4.44Å; R218-Y226 HydrophobicContact CG-CE1 4.05Å; R218-Y226 HydrophobicContact CG-CE2 3.9Å; R218-Y226 WeakPolarHBondContact O-CA 3.45Å; R218-Y226 WeakPolarHBondContact O-CB 3.43Å; R218-Y226 PolarHBondContact O-N 3.29Å
219L98.3Very high97.1Very high1 Ų146.3 Ų46.31%0.00524%0.24CC..THydrogen-bonded Turntrans-76.7-8.7-178.1-76168.1000114.3W23 L24 R157 R158 E215 L216 P217 I234 V237 F239W23-L219 HydrophobicContact CH2-CB 4.32Å; W23-L219 HydrophobicContact CH2-CD1 3.72Å; W23-L219 HydrophobicContact CZ3-CD1 3.6Å; L24-L219 HydrophobicContact CD2-CD1 3.44Å; L24-L219 VanDerWaalsContact CD2-CD1 3.44Å; R157-L219 HydrophobicContact CG-CD2 4.44Å; R158-L219 HydrophobicContact CB-CD2 3.67Å; R158-L219 HydrophobicContact CB-CG 4.31Å; R158-L219 HydrophobicContact CG-CD2 4.12Å; E215-L219 PolarHBondContact O-N 3.33Å; E215-L219 VanDerWaalsContact O-N 3.11Å; L216-L219 PolarHBondContact O-N 3.03Å; P217-L219 VanDerWaalsContact C-N 3.28Å; P217-L219 PolarHBondContact O-N 2.88Å; L219-I234 HydrophobicContact CD2-CD1 3.83Å; L219-V237 HydrophobicContact CD2-CG1 4.46Å; L219-V237 HydrophobicContact CD2-CG2 4.1Å; L219-F239 HydrophobicContact CB-CE2 3.82Å; L219-F239 HydrophobicContact CB-CZ 3.75Å
220R98Very high97.1Very high97 Ų9747.6 Ų47.637%0.36625%0.253SS..  trans-67.2153.8180-7017762.7152.3-2.3112.4P217 R218 D222 G225 Y226 G227 F239 W247P217-R220 PolarHBondContact O-N 2.74Å; R218-R220 VanDerWaalsContact C-N 3.27Å; R218-R220 PolarHBondContact O-N 3.42Å; R220-D222 IonicContact CZ-OD2 3.03Å; R220-D222 IonicContact NE-OD1 3.49Å; R220-D222 IonicContact NE-OD2 2.7Å; R220-D222 PolarHBondContact NE-OD2 2.88Å; R220-D222 IonicContact NH2-OD2 2.63Å; R220-D222 PolarHBondContact NH2-OD2 3.16Å; R220-G225 CarbonylContact O-C 3.38Å; R220-G225 VanDerWaalsContact O-CA 3.28Å; R220-G225 WeakPolarHBondContact O-CA 3.28Å; R220-Y226 PolarHBondContact O-N 3.05Å; R220-G227 PolarHBondContact O-N 2.9Å; R220-F239 HydrophobicContact CG-CZ 4.28Å; R220-W247 HydrophobicContact CG-CH2 4.29Å; R220-W247 HydrophobicContact CG-CZ3 4.19Å
221D97.9Very high97.3Very high32 Ų3252.2 Ų52.217%0.17126%0.261CS..SBendtrans-112.268.3173.5-172.822.6000111.4G227 P228 R229 H236D221-G227 VanDerWaalsContact OD1-C 3.31Å; D221-P228 VanDerWaalsContact OD1-CD 3.26Å; D221-P228 WeakPolarHBondContact OD1-CD 3.13Å; D221-P228 VanDerWaalsContact OD1-N 3.09Å; D221-R229 VanDerWaalsContact OD1-CB 3.28Å; D221-R229 WeakPolarHBondContact OD1-CB 3.32Å; D221-R229 WeakPolarHBondContact OD1-CG 3.31Å; D221-R229 PolarHBondContact OD1-N 2.98Å; D221-H236 WeakPolarHBondContact CB-ND1 3.41Å; D221-H236 IonicContact OD2-CE1 2.85Å; D221-H236 IonicContact OD2-CG 2.69Å; D221-H236 IonicContact OD2-ND1 3.26Å; D221-H236 PolarHBondContact OD2-ND1 3.39Å
222D97.7Very high97.3Very high30 Ų3054.1 Ų54.116%0.1627%0.271CS..SBendtrans-149.6-174.3173.357.339000109.6R220 D224 G225 R229 G230R220-D222 IonicContact CZ-OD2 3.03Å; R220-D222 IonicContact NE-OD1 3.49Å; R220-D222 IonicContact NE-OD2 2.7Å; R220-D222 PolarHBondContact NE-OD2 2.88Å; R220-D222 IonicContact NH2-OD2 2.63Å; R220-D222 PolarHBondContact NH2-OD2 3.16Å; D222-D224 PolarHBondContact O-N 2.89Å; D222-D224 PolarHBondContact OD1-N 3.43Å; D222-G225 PolarHBondContact O-N 3.36Å; D222-G225 VanDerWaalsContact O-N 3.11Å; D222-G225 PolarHBondContact OD1-N 3.35Å; D222-R229 CarbonylContact C-O 3.53Å; D222-R229 CarbonylContact O-C 3.55Å; D222-G230 WeakPolarHBondContact O-CA 3.31Å; D222-G230 PolarHBondContact O-N 3.09Å
223S97.4Very high97.3Very high88 Ų8859.8 Ų59.862%0.61530%0.296SS*.THydrogen-bonded Turntrans-57.1-21.9-174.352.30000115.3
224D95.9Very high97.4Very high128 Ų12858.2 Ų58.268%0.68429%0.286SS*.THydrogen-bonded Turntrans-100.5-17.7-177.1-60.7-40000112.8D222D222-D224 PolarHBondContact O-N 2.89Å; D222-D224 PolarHBondContact OD1-N 3.43Å
225G97.7Very high97.6Very high0 Ų059.2 Ų59.20%029%0.288CS..SBendtrans-92.6178.9-17700000114.7P217 R220 D222 G230 R231P217-G225 WeakPolarHBondContact O-CA 3.46Å; R220-G225 CarbonylContact O-C 3.38Å; R220-G225 VanDerWaalsContact O-CA 3.28Å; R220-G225 WeakPolarHBondContact O-CA 3.28Å; D222-G225 PolarHBondContact O-N 3.36Å; D222-G225 VanDerWaalsContact O-N 3.11Å; D222-G225 PolarHBondContact OD1-N 3.35Å; G225-G230 WeakPolarHBondContact O-CA 3.14Å; G225-R231 PolarHBondContact O-N 2.92Å
226Y98.1Very high97.6Very high65 Ų6563.7 Ų63.726%0.25531%0.309SS..SBendtrans-93.3-5.1-178.3-662.9000113.2R218 R220 R231 D232 F233 I234R218-Y226 HydrophobicContact CB-CD1 4.34Å; R218-Y226 HydrophobicContact CB-CD2 3.96Å; R218-Y226 HydrophobicContact CB-CE1 4.28Å; R218-Y226 HydrophobicContact CB-CE2 3.91Å; R218-Y226 HydrophobicContact CB-CG 4.17Å; R218-Y226 HydrophobicContact CG-CD2 4.44Å; R218-Y226 HydrophobicContact CG-CE1 4.05Å; R218-Y226 HydrophobicContact CG-CE2 3.9Å; R218-Y226 WeakPolarHBondContact O-CA 3.45Å; R218-Y226 WeakPolarHBondContact O-CB 3.43Å; R218-Y226 PolarHBondContact O-N 3.29Å; R220-Y226 PolarHBondContact O-N 3.05Å; Y226-R231 HydrophobicContact CD1-CB 4.24Å; Y226-R231 HydrophobicContact CD1-CG 3.95Å; Y226-R231 HydrophobicContact CE1-CG 4.37Å; Y226-D232 CarbonylContact O-C 3.54Å; Y226-D232 PolarHBondContact O-N 3.09Å; Y226-F233 HydrophobicContact CD1-CD2 4.28Å; Y226-F233 HydrophobicContact CD2-CD2 4.12Å; Y226-F233 HydrophobicContact CE2-CD2 4.4Å; Y226-F233 HydrophobicContact CG-CD2 4.07Å; Y226-F233 PolarHBondContact O-N 2.93Å; Y226-I234 WeakPolarHBondContact O-CG1 3.27Å; Y226-I234 PolarHBondContact O-N 3.3Å
227G98.2Very high97.7Very high0 Ų064.4 Ų64.40%031%0.313CS..SBendtrans-65.3174.6175.500000113.6R220 D221 R229 G230 D232R220-G227 PolarHBondContact O-N 2.9Å; D221-G227 VanDerWaalsContact OD1-C 3.31Å; G227-R229 PolarHBondContact O-N 3.19Å; G227-R229 VanDerWaalsContact O-N 3.11Å; G227-G230 PolarHBondContact O-N 2.92Å; G227-D232 WeakPolarHBondContact O-CA 3.3Å; G227-D232 PolarHBondContact O-N 2.98Å
228P97.9Very high97.7Very high62 Ų6267.9 Ų67.940%0.40333%0.329SS..THydrogen-bonded Turntrans-55.8-27.2-175.8-28.536.9000116D221 G230 D232 I234D221-P228 VanDerWaalsContact OD1-CD 3.26Å; D221-P228 WeakPolarHBondContact OD1-CD 3.13Å; D221-P228 VanDerWaalsContact OD1-N 3.09Å; P228-G230 VanDerWaalsContact C-N 3.31Å; P228-D232 WeakPolarHBondContact CA-OD1 3.38Å; P228-I234 WeakPolarHBondContact CD-O 3.44Å
229R98.1Very high97.7Very high189 Ų18965.8 Ų65.871%0.71332%0.322SS*.THydrogen-bonded Turntrans-85.3-2.6178.2-61.6174.261.8-176.9-1113.8D221 D222 G227D221-R229 VanDerWaalsContact OD1-CB 3.28Å; D221-R229 WeakPolarHBondContact OD1-CB 3.32Å; D221-R229 WeakPolarHBondContact OD1-CG 3.31Å; D221-R229 PolarHBondContact OD1-N 2.98Å; D222-R229 CarbonylContact C-O 3.53Å; D222-R229 CarbonylContact O-C 3.55Å; G227-R229 PolarHBondContact O-N 3.19Å; G227-R229 VanDerWaalsContact O-N 3.11Å
230G97.9Very high97.7Very high28 Ų2868.1 Ų68.129%0.28934%0.337SS..THydrogen-bonded Turntrans-120.8-111.4-18000000111.9D222 G225 G227 P228D222-G230 WeakPolarHBondContact O-CA 3.31Å; D222-G230 PolarHBondContact O-N 3.09Å; G225-G230 WeakPolarHBondContact O-CA 3.14Å; G227-G230 PolarHBondContact O-N 2.92Å; P228-G230 VanDerWaalsContact C-N 3.31Å
231R97.3Very high97.7Very high162 Ų16267.4 Ų67.461%0.61135%0.352SS*.THydrogen-bonded Turntrans-81.4-13.2179.5-54.7-64.1-175.5178.4-0.8114.3G225 Y226 F233G225-R231 PolarHBondContact O-N 2.92Å; Y226-R231 HydrophobicContact CD1-CB 4.24Å; Y226-R231 HydrophobicContact CD1-CG 3.95Å; Y226-R231 HydrophobicContact CE1-CG 4.37Å; R231-F233 HydrophobicContact CB-CD1 4.27Å; R231-F233 HydrophobicContact CB-CD2 3.67Å; R231-F233 HydrophobicContact CB-CE1 4.23Å; R231-F233 HydrophobicContact CB-CE2 3.63Å; R231-F233 HydrophobicContact CB-CG 4.01Å; R231-F233 HydrophobicContact CB-CZ 3.93Å; R231-F233 HydrophobicContact CG-CD2 4.44Å; R231-F233 HydrophobicContact CG-CE2 4.13Å; R231-F233 VanDerWaalsContact O-CD1 3.26Å; R231-F233 WeakPolarHBondContact O-CD1 3.41Å; R231-F233 WeakPolarHBondContact O-CE1 3.26Å; R231-F233 PolarHBondContact O-N 3.48Å
232D96.7Very high97.7Very high64 Ų6472.1 Ų72.134%0.34237%0.373SS..  trans58.828.6178.2-168.540.1000114.8R165 Y226 G227 P228R165-D232 IonicContact CZ-OD1 3.79Å; R165-D232 IonicContact CZ-OD2 2.78Å; R165-D232 PolarHBondContact NE-O 3.19Å; R165-D232 IonicContact NE-OD1 2.75Å; R165-D232 PolarHBondContact NE-OD1 3.41Å; R165-D232 IonicContact NE-OD2 3.76Å; R165-D232 IonicContact NH2-OD1 3.93Å; R165-D232 PolarHBondContact NH2-OD1 3.39Å; R165-D232 IonicContact NH2-OD2 3.9Å; R165-D232 PolarHBondContact NH2-OD2 2.93Å; Y226-D232 CarbonylContact O-C 3.54Å; Y226-D232 PolarHBondContact O-N 3.09Å; G227-D232 WeakPolarHBondContact O-CA 3.3Å; G227-D232 PolarHBondContact O-N 2.98Å; P228-D232 WeakPolarHBondContact CA-OD1 3.38Å
233F97.1Very high97.8Very high119 Ų11970.7 Ų70.752%0.52237%0.365SS..SBendtrans-84.8-21.6177.7-59.6-27.5000113.3Y226 R231Y226-F233 HydrophobicContact CD1-CD2 4.28Å; Y226-F233 HydrophobicContact CD2-CD2 4.12Å; Y226-F233 HydrophobicContact CE2-CD2 4.4Å; Y226-F233 HydrophobicContact CG-CD2 4.07Å; Y226-F233 PolarHBondContact O-N 2.93Å; R231-F233 HydrophobicContact CB-CD1 4.27Å; R231-F233 HydrophobicContact CB-CD2 3.67Å; R231-F233 HydrophobicContact CB-CE1 4.23Å; R231-F233 HydrophobicContact CB-CE2 3.63Å; R231-F233 HydrophobicContact CB-CG 4.01Å; R231-F233 HydrophobicContact CB-CZ 3.93Å; R231-F233 HydrophobicContact CG-CD2 4.44Å; R231-F233 HydrophobicContact CG-CE2 4.13Å; R231-F233 VanDerWaalsContact O-CD1 3.26Å; R231-F233 WeakPolarHBondContact O-CD1 3.41Å; R231-F233 WeakPolarHBondContact O-CE1 3.26Å; R231-F233 PolarHBondContact O-N 3.48Å
234I98.1Very high97.8Very high0 Ų070.2 Ų70.20%036%0.355CS..SBendtrans-131161.717963.6171.3000110.8R158 A161 T162 L219 Y226 P228 V237R158-I234 HydrophobicContact CG-CG2 4.04Å; A161-I234 HydrophobicContact CB-CB 3.79Å; A161-I234 HydrophobicContact CB-CD1 4.24Å; A161-I234 HydrophobicContact CB-CG1 4.5Å; A161-I234 HydrophobicContact CB-CG2 4.17Å; T162-I234 VanDerWaalsContact OG1-CG2 3.29Å; T162-I234 WeakPolarHBondContact OG1-CG2 3.44Å; L219-I234 HydrophobicContact CD2-CD1 3.83Å; Y226-I234 WeakPolarHBondContact O-CG1 3.27Å; Y226-I234 PolarHBondContact O-N 3.3Å; P228-I234 WeakPolarHBondContact CD-O 3.44Å; I234-V237 HydrophobicContact CD1-CG2 4.09Å
235V98Very high97.9Very high41 Ų4170.4 Ų70.425%0.24835%0.351CS..  trans-66.4163.9166.6-63.10000110.4A161 R164 R165 V237A161-V235 HydrophobicContact CB-CG2 3.95Å; A161-V235 PolarHBondContact O-N 3.37Å; R164-V235 HydrophobicContact CB-CG1 4.05Å; R164-V235 HydrophobicContact CB-CG2 4.08Å; R165-V235 HydrophobicContact CB-CG1 4.02Å; V235-V237 PolarHBondContact O-N 3.03Å
236H98.2Very high98Very high95 Ų9570.6 Ų70.644%0.4435%0.353SS..  trans-52.1139.3169.5-179.479.2000111D221 D238D221-H236 WeakPolarHBondContact CB-ND1 3.41Å; D221-H236 IonicContact OD2-CE1 2.85Å; D221-H236 IonicContact OD2-CG 2.69Å; D221-H236 IonicContact OD2-ND1 3.26Å; D221-H236 PolarHBondContact OD2-ND1 3.39Å; H236-D238 IonicContact CD2-OD1 3.89Å; H236-D238 IonicContact NE2-OD1 3.42Å; H236-D238 PolarHBondContact NE2-OD1 2.82Å
237V98.3Very high97.9Very high15 Ų1568.6 Ų68.69%0.09135%0.345CS..  trans-125.6119.7175.6177.70000108.5W23 R157 A161 L219 I234 V235W23-V237 HydrophobicContact CH2-CG1 4.09Å; W23-V237 HydrophobicContact CZ2-CG1 3.73Å; R157-V237 HydrophobicContact CG-CG1 4.35Å; A161-V237 HydrophobicContact CB-CG2 3.75Å; L219-V237 HydrophobicContact CD2-CG1 4.46Å; L219-V237 HydrophobicContact CD2-CG2 4.1Å; I234-V237 HydrophobicContact CD1-CG2 4.09Å; V235-V237 PolarHBondContact O-N 3.03Å
238D97.8Very high97.9Very high124 Ų12472.5 Ų72.566%0.66336%0.363SS*.  trans-67.9134.8174.4-65.9-69.7000111W23 H236 P240W23-D238 WeakPolarHBondContact CZ2-O 3.25Å; H236-D238 IonicContact CD2-OD1 3.89Å; H236-D238 IonicContact NE2-OD1 3.42Å; H236-D238 PolarHBondContact NE2-OD1 2.82Å; D238-P240 WeakPolarHBondContact O-CD 3.28Å
239F97.5Very high97.9Very high42 Ų4271.2 Ų71.218%0.18436%0.355CS..  trans-102.8107.4172.2-87.6-115.4000109.7W23 L216 L219 R220 V243 I244 W247W23-F239 HydrophobicContact CH2-CD1 4.11Å; W23-F239 AromaticContact CH2-CD2 3.92Å; W23-F239 HydrophobicContact CH2-CD2 3.92Å; W23-F239 AromaticContact CH2-CE1 3.79Å; W23-F239 HydrophobicContact CH2-CE1 3.79Å; W23-F239 AromaticContact CH2-CE2 3.57Å; W23-F239 HydrophobicContact CH2-CE2 3.57Å; W23-F239 HydrophobicContact CH2-CG 4.18Å; W23-F239 AromaticContact CH2-CZ 3.51Å; W23-F239 HydrophobicContact CH2-CZ 3.51Å; W23-F239 HydrophobicContact CZ2-CD2 4.12Å; W23-F239 HydrophobicContact CZ2-CE2 4.2Å; W23-F239 HydrophobicContact CZ2-CG 4.31Å; W23-F239 HydrophobicContact CZ2-CZ 4.47Å; W23-F239 HydrophobicContact CZ3-CE1 4.08Å; W23-F239 HydrophobicContact CZ3-CZ 4.05Å; L216-F239 HydrophobicContact CD2-CE1 4.17Å; L216-F239 WeakPolarHBondContact O-CZ 3.4Å; L219-F239 HydrophobicContact CB-CE2 3.82Å; L219-F239 HydrophobicContact CB-CZ 3.75Å; R220-F239 HydrophobicContact CG-CZ 4.28Å; F239-V243 HydrophobicContact CD1-CG1 4.1Å; F239-V243 HydrophobicContact CE1-CG1 4.47Å; F239-I244 HydrophobicContact CB-CD1 3.96Å; F239-I244 HydrophobicContact CB-CG1 3.8Å; F239-I244 HydrophobicContact CD1-CG1 4.34Å; F239-W247 HydrophobicContact CE1-CE3 4.11Å; F239-W247 HydrophobicContact CE1-CZ3 4.01Å
240P98.2Very high97.9Very high49 Ų4962.6 Ų62.632%0.31832%0.323SS..  trans-57.3148.2173.1-24.334.4000111.8D238 E242 V243 I244D238-P240 WeakPolarHBondContact O-CD 3.28Å; P240-E242 HydrophobicContact CB-CG 4Å; P240-E242 PolarHBondContact O-N 2.79Å; P240-V243 HydrophobicContact CB-CG2 4.15Å; P240-V243 HydrophobicContact CG-CG2 4.13Å; P240-V243 WeakPolarHBondContact O-CB 3.28Å; P240-V243 PolarHBondContact O-N 3.43Å; P240-I244 PolarHBondContact O-N 3Å
241A98.3Very high97.7Very high82 Ų8265.9 Ų65.968%0.67833%0.329SS*.Hα-helixtrans-56.5-37.4-178.100000112.9I244 H245A241-I244 PolarHBondContact O-N 3.22Å; A241-H245 WeakPolarHBondContact O-CB 3.34Å; A241-H245 PolarHBondContact O-N 3.31Å
242E98.3Very high97.6Very high132 Ų13265.1 Ų65.162%0.61733%0.332SS*.Hα-helixtrans-63.3-38175.462.8-168.1-156.500113V19 P240 H245 A246V19-E242 HydrophobicContact CG1-CB 4.39Å; V19-E242 HydrophobicContact CG1-CG 4.21Å; P240-E242 HydrophobicContact CB-CG 4Å; P240-E242 PolarHBondContact O-N 2.79Å; E242-H245 PolarHBondContact O-N 3.19Å; E242-A246 WeakPolarHBondContact O-CB 3.35Å; E242-A246 PolarHBondContact O-N 3.4Å
243V98.5Very high97.6Very high0 Ų063 Ų630%032%0.321CS..Hα-helixtrans-70.3-40.5176.8177.30000110.2V19 I20 W23 L216 F239 P240 W247V19-V243 HydrophobicContact CG1-CG2 4.31Å; I20-V243 HydrophobicContact CG1-CG1 4.36Å; W23-V243 HydrophobicContact CB-CG2 3.7Å; W23-V243 HydrophobicContact CD2-CG1 3.92Å; W23-V243 HydrophobicContact CD2-CG2 3.93Å; W23-V243 HydrophobicContact CE3-CG1 3.74Å; W23-V243 HydrophobicContact CG-CG1 4.37Å; W23-V243 HydrophobicContact CG-CG2 3.54Å; W23-V243 HydrophobicContact CZ3-CG1 4.12Å; L216-V243 HydrophobicContact CD2-CG1 4.43Å; F239-V243 HydrophobicContact CD1-CG1 4.1Å; F239-V243 HydrophobicContact CE1-CG1 4.47Å; P240-V243 HydrophobicContact CB-CG2 4.15Å; P240-V243 HydrophobicContact CG-CG2 4.13Å; P240-V243 WeakPolarHBondContact O-CB 3.28Å; P240-V243 PolarHBondContact O-N 3.43Å; V243-W247 WeakPolarHBondContact O-CB 3.2Å; V243-W247 PolarHBondContact O-N 3.04Å
244I97.9Very high97.4Very high77 Ų7760.8 Ų60.840%0.39532%0.324SS..Hα-helixtrans-61.4-47.6174.5-62.9172.6000109.9F239 P240 A241 W247 Q248F239-I244 HydrophobicContact CB-CD1 3.96Å; F239-I244 HydrophobicContact CB-CG1 3.8Å; F239-I244 HydrophobicContact CD1-CG1 4.34Å; P240-I244 PolarHBondContact O-N 3Å; A241-I244 PolarHBondContact O-N 3.22Å; I244-W247 PolarHBondContact O-N 3.3Å; I244-Q248 WeakPolarHBondContact O-CG 3.21Å; I244-Q248 PolarHBondContact O-N 3.48Å
245H98.4Very high97.3Very high132 Ų13264 Ų6461%0.61134%0.344SS*.Hα-helixtrans-63.3-47.6179.3-17659.6000111.7A241 E242 W247 Q248 T249A241-H245 WeakPolarHBondContact O-CB 3.34Å; A241-H245 PolarHBondContact O-N 3.31Å; E242-H245 PolarHBondContact O-N 3.19Å; H245-W247 VanDerWaalsContact C-N 3.27Å; H245-W247 PolarHBondContact O-N 2.91Å; H245-Q248 WeakPolarHBondContact O-CB 3.44Å; H245-Q248 PolarHBondContact O-N 3.47Å; H245-Q248 VanDerWaalsContact O-N 3.08Å; H245-T249 PolarHBondContact O-N 2.95Å; H245-T249 PolarHBondContact O-OG1 3.09Å
246A98.5Very high97.1Very high5 Ų562.2 Ų62.24%0.04133%0.333CS..Hα-helixtrans-55.3-44174.400000111.4A16 V19 I20 E242 Q248 T249 L250A16-A246 HydrophobicContact CB-CB 3.77Å; V19-A246 HydrophobicContact CB-CB 4.19Å; V19-A246 HydrophobicContact CG1-CB 4.02Å; I20-A246 HydrophobicContact CD1-CB 3.89Å; I20-A246 HydrophobicContact CG1-CB 3.86Å; E242-A246 WeakPolarHBondContact O-CB 3.35Å; E242-A246 PolarHBondContact O-N 3.4Å; A246-Q248 VanDerWaalsContact C-N 3.33Å; A246-Q248 PolarHBondContact O-N 3.23Å; A246-T249 WeakPolarHBondContact O-CB 3.14Å; A246-T249 PolarHBondContact O-N 3.32Å; A246-T249 VanDerWaalsContact O-N 3.13Å; A246-L250 WeakPolarHBondContact O-CG 3.42Å; A246-L250 PolarHBondContact O-N 3.44Å
247W97.6Very high96.9Very high22 Ų2260.6 Ų60.68%0.08333%0.327CS..Hα-helixtrans-63.7-39.3177.7-171.316.1000112.3I20 L216 P217 R220 F239 V243 I244 H245 T249 L250 K251I20-W247 HydrophobicContact CD1-CB 4.36Å; L216-W247 HydrophobicContact CB-CD2 3.89Å; L216-W247 HydrophobicContact CB-CE3 4.1Å; L216-W247 HydrophobicContact CB-CH2 3.86Å; L216-W247 HydrophobicContact CB-CZ2 3.64Å; L216-W247 HydrophobicContact CB-CZ3 4.07Å; L216-W247 HydrophobicContact CD1-CB 3.95Å; L216-W247 HydrophobicContact CD1-CD2 3.65Å; L216-W247 HydrophobicContact CD1-CE3 4.39Å; L216-W247 HydrophobicContact CD1-CG 3.41Å; L216-W247 VanDerWaalsContact CD1-CG 3.41Å; L216-W247 HydrophobicContact CG-CD2 4.34Å; P217-W247 HydrophobicContact CB-CH2 4.17Å; P217-W247 HydrophobicContact CB-CZ2 4.26Å; P217-W247 HydrophobicContact CG-CZ2 4.4Å; R220-W247 HydrophobicContact CG-CH2 4.29Å; R220-W247 HydrophobicContact CG-CZ3 4.19Å; F239-W247 HydrophobicContact CE1-CE3 4.11Å; F239-W247 HydrophobicContact CE1-CZ3 4.01Å; V243-W247 WeakPolarHBondContact O-CB 3.2Å; V243-W247 PolarHBondContact O-N 3.04Å; I244-W247 PolarHBondContact O-N 3.3Å; H245-W247 VanDerWaalsContact C-N 3.27Å; H245-W247 PolarHBondContact O-N 2.91Å; W247-T249 VanDerWaalsContact C-N 3.34Å; W247-L250 PolarHBondContact O-N 3.23Å; W247-K251 VanDerWaalsContact NE1-CE 3.33Å; W247-K251 PolarHBondContact O-N 3.27Å; W247-K251 VanDerWaalsContact O-N 3.1Å
248Q97.6Very high96.7Very high82 Ų8266.6 Ų66.638%0.38335%0.354SS..Hα-helixtrans-62.8-41.6172.8-65.2-57.9-28.900111.5I244 H245 A246 L250 K251 H252I244-Q248 WeakPolarHBondContact O-CG 3.21Å; I244-Q248 PolarHBondContact O-N 3.48Å; H245-Q248 WeakPolarHBondContact O-CB 3.44Å; H245-Q248 PolarHBondContact O-N 3.47Å; H245-Q248 VanDerWaalsContact O-N 3.08Å; A246-Q248 VanDerWaalsContact C-N 3.33Å; A246-Q248 PolarHBondContact O-N 3.23Å; Q248-L250 VanDerWaalsContact C-N 3.32Å; Q248-L250 PolarHBondContact O-N 2.89Å; Q248-K251 PolarHBondContact O-N 2.93Å; Q248-H252 PolarHBondContact O-N 2.83Å; Q248-H252 PolarHBondContact O-ND1 2.99Å
249T97.9Very high96.4Very high36 Ų3661 Ų6122%0.22133%0.325CS..Hα-helixtrans-55.6-47.5174.4-58.90000111.2A16 H245 A246 W247 K251 H252 D253A16-T249 HydrophobicContact CB-CG2 4.01Å; H245-T249 PolarHBondContact O-N 2.95Å; H245-T249 PolarHBondContact O-OG1 3.09Å; A246-T249 WeakPolarHBondContact O-CB 3.14Å; A246-T249 PolarHBondContact O-N 3.32Å; A246-T249 VanDerWaalsContact O-N 3.13Å; W247-T249 VanDerWaalsContact C-N 3.34Å; T249-K251 VanDerWaalsContact C-N 3.31Å; T249-K251 PolarHBondContact O-N 3.13Å; T249-H252 PolarHBondContact O-N 3.41Å; T249-D253 PolarHBondContact O-N 2.89Å
250L97.2Very high96.1Very high7 Ų760.7 Ų60.74%0.03732%0.324CS..Hα-helixtrans-62.8-37179.2-56.2-165.8000112.9T13 A16 I17 I20 L212 T213 A246 W247 Q248 H252 L256T13-L250 HydrophobicContact CG2-CD2 3.82Å; A16-L250 HydrophobicContact CB-CD2 3.72Å; A16-L250 HydrophobicContact CB-CG 4.35Å; I17-L250 HydrophobicContact CD1-CD2 4.45Å; I17-L250 HydrophobicContact CG1-CD1 4.15Å; I17-L250 HydrophobicContact CG1-CD2 3.7Å; I20-L250 HydrophobicContact CD1-CD1 3.46Å; I20-L250 VanDerWaalsContact CD1-CD1 3.46Å; I20-L250 HydrophobicContact CD1-CG 4Å; L212-L250 HydrophobicContact CD2-CD1 3.83Å; T213-L250 HydrophobicContact CG2-CD1 4.24Å; A246-L250 WeakPolarHBondContact O-CG 3.42Å; A246-L250 PolarHBondContact O-N 3.44Å; W247-L250 PolarHBondContact O-N 3.23Å; Q248-L250 VanDerWaalsContact C-N 3.32Å; Q248-L250 PolarHBondContact O-N 2.89Å; L250-H252 PolarHBondContact O-N 3.02Å; L250-L256 HydrophobicContact CB-CD2 3.92Å; L250-L256 HydrophobicContact CD2-CD2 3.95Å; L250-L256 HydrophobicContact CG-CD2 4.36Å
251K95Very high95.6Very high98 Ų9864.1 Ų64.143%0.42634%0.336SS..Hα-helixtrans-69.3-16.3179.2-78.1-174.4174.6-179.40114.5W247 Q248 T249 I257W247-K251 VanDerWaalsContact NE1-CE 3.33Å; W247-K251 PolarHBondContact O-N 3.27Å; W247-K251 VanDerWaalsContact O-N 3.1Å; Q248-K251 PolarHBondContact O-N 2.93Å; T249-K251 VanDerWaalsContact C-N 3.31Å; T249-K251 PolarHBondContact O-N 3.13Å; K251-I257 WeakPolarHBondContact O-CD1 3.41Å
252H95.1Very high94.9Very high145 Ų14562.3 Ų62.367%0.67132%0.319SS*.Hα-helixtrans-113.2-0.9-177.7-62.991.7000113Q248 T249 L250 A254Q248-H252 PolarHBondContact O-N 2.83Å; Q248-H252 PolarHBondContact O-ND1 2.99Å; T249-H252 PolarHBondContact O-N 3.41Å; L250-H252 PolarHBondContact O-N 3.02Å; H252-A254 PolarHBondContact O-N 2.89Å
253D95.6Very high93.9Very high20 Ų2057.3 Ų57.311%0.10729%0.294CS..  trans-81.3105.1175.3-172.1-52.6000110.5T13 T249 V255 L256 I257T13-D253 WeakPolarHBondContact CB-OD2 3.28Å; T13-D253 HydrophobicContact CG2-CB 4.12Å; T13-D253 WeakPolarHBondContact CG2-OD2 3.42Å; T13-D253 PolarHBondContact OG1-OD2 3.07Å; T249-D253 PolarHBondContact O-N 2.89Å; D253-V255 VanDerWaalsContact C-N 3.3Å; D253-V255 PolarHBondContact O-N 2.85Å; D253-V255 WeakPolarHBondContact OD1-CA 3.3Å; D253-V255 WeakPolarHBondContact OD1-CB 3.46Å; D253-V255 PolarHBondContact OD1-N 3.07Å; D253-L256 HydrophobicContact CB-CB 3.92Å; D253-L256 PolarHBondContact O-N 2.91Å; D253-L256 PolarHBondContact OD1-N 2.92Å; D253-I257 WeakPolarHBondContact O-CD1 3.42Å; D253-I257 WeakPolarHBondContact O-CG1 3.42Å; D253-I257 PolarHBondContact O-N 3.19Å
254A94.6Very high92.4Very high72 Ų7261.7 Ų61.760%0.59533%0.325SS*.Hα-helixtrans-62.1-34.5-178.800000113.3H252 I257 E258H252-A254 PolarHBondContact O-N 2.89Å; A254-I257 PolarHBondContact O-N 2.5Å; A254-E258 VanDerWaalsContact O-CB 3.31Å; A254-E258 WeakPolarHBondContact O-CB 3.36Å; A254-E258 PolarHBondContact O-N 3.13Å
255V94.3Very high90.1Very high69 Ų6965.3 Ų65.342%0.41834%0.344SS..Hα-helixtrans-70.3-44.1-179.2-179.90000110.1P7 L9 D253 A259P7-V255 HydrophobicContact CG-CG1 4.23Å; L9-V255 HydrophobicContact CD2-CB 4.25Å; L9-V255 HydrophobicContact CD2-CG1 3.98Å; D253-V255 VanDerWaalsContact C-N 3.3Å; D253-V255 PolarHBondContact O-N 2.85Å; D253-V255 WeakPolarHBondContact OD1-CA 3.3Å; D253-V255 WeakPolarHBondContact OD1-CB 3.46Å; D253-V255 PolarHBondContact OD1-N 3.07Å; V255-A259 WeakPolarHBondContact O-CB 3.42Å; V255-A259 PolarHBondContact O-N 3.36Å
256L95.1Very high87.6Confident3 Ų370 Ų702%0.01636%0.357CS..Hα-helixtrans-59.4-48.7174.2175.860.2000110.7F6 L9 T13 L209 L250 D253 A259 M260F6-L256 HydrophobicContact CE1-CD1 4.34Å; F6-L256 HydrophobicContact CZ-CD1 3.94Å; L9-L256 HydrophobicContact CD1-CD1 4.16Å; L9-L256 HydrophobicContact CD2-CB 3.99Å; T13-L256 HydrophobicContact CG2-CD2 4.08Å; L209-L256 HydrophobicContact CD1-CD1 4Å; L250-L256 HydrophobicContact CB-CD2 3.92Å; L250-L256 HydrophobicContact CD2-CD2 3.95Å; L250-L256 HydrophobicContact CG-CD2 4.36Å; D253-L256 HydrophobicContact CB-CB 3.92Å; D253-L256 PolarHBondContact O-N 2.91Å; D253-L256 PolarHBondContact OD1-N 2.92Å; L256-A259 PolarHBondContact O-N 2.96Å; L256-M260 HydrophobicContact CD1-CG 4.08Å; L256-M260 HydrophobicContact CD1-SD 3.89Å; L256-M260 HydrophobicContact CG-SD 4.2Å; L256-M260 WeakPolarHBondContact O-CB 3.36Å; L256-M260 VanDerWaalsContact O-CG 3.29Å; L256-M260 WeakPolarHBondContact O-CG 3.45Å; L256-M260 PolarHBondContact O-N 3.43Å
257I93.6Very high87.1Confident61 Ų6173.3 Ų73.331%0.31337%0.372SS..Hα-helixtrans-60.6-52-179-67.1161.9000110.6K251 D253 A254 A259 M260 E261K251-I257 WeakPolarHBondContact O-CD1 3.41Å; D253-I257 WeakPolarHBondContact O-CD1 3.42Å; D253-I257 WeakPolarHBondContact O-CG1 3.42Å; D253-I257 PolarHBondContact O-N 3.19Å; A254-I257 PolarHBondContact O-N 2.5Å; I257-A259 VanDerWaalsContact C-N 3.33Å; I257-A259 PolarHBondContact O-N 2.81Å; I257-M260 PolarHBondContact O-N 2.8Å; I257-M260 VanDerWaalsContact O-N 3.17Å; I257-E261 HydrophobicContact CG2-CG 4.39Å; I257-E261 WeakPolarHBondContact O-CG 3.48Å; I257-E261 PolarHBondContact O-N 3.48Å
258E93.4Very high86.5Confident140 Ų14076 Ų7665%0.65439%0.387SS*.Hα-helixtrans-61-42.3179.5-175.9-178.1-177.500111.7A254 M260 E261 S262A254-E258 VanDerWaalsContact O-CB 3.31Å; A254-E258 WeakPolarHBondContact O-CB 3.36Å; A254-E258 PolarHBondContact O-N 3.13Å; E258-M260 VanDerWaalsContact C-N 3.31Å; E258-M260 PolarHBondContact O-N 2.89Å; E258-E261 PolarHBondContact O-N 3.24Å; E258-S262 VanDerWaalsContact O-CB 3.27Å; E258-S262 WeakPolarHBondContact O-CB 3.48Å; E258-S262 PolarHBondContact O-N 3.05Å; E258-S262 PolarHBondContact O-OG 3.36Å
259A91.6Very high85.9Confident6 Ų675.7 Ų75.75%0.0539%0.388CS..Hα-helixtrans-62.6-38.3177.500000112F6 P7 V255 L256 I257 S262 R263F6-A259 HydrophobicContact CE1-CB 4Å; F6-A259 HydrophobicContact CE2-CB 3.91Å; F6-A259 HydrophobicContact CZ-CB 3.5Å; F6-A259 VanDerWaalsContact CZ-CB 3.5Å; P7-A259 HydrophobicContact CG-CB 3.81Å; V255-A259 WeakPolarHBondContact O-CB 3.42Å; V255-A259 PolarHBondContact O-N 3.36Å; L256-A259 PolarHBondContact O-N 2.96Å; I257-A259 VanDerWaalsContact C-N 3.33Å; I257-A259 PolarHBondContact O-N 2.81Å; A259-S262 PolarHBondContact O-OG 2.8Å; A259-S262 VanDerWaalsContact O-OG 3.09Å; A259-R263 VanDerWaalsContact O-CD 3.3Å; A259-R263 WeakPolarHBondContact O-CD 3.32Å; A259-R263 WeakPolarHBondContact O-CG 3.45Å
260M90.9Very high85.2Confident36 Ų3678 Ų7818%0.17740%0.398CS..Hα-helixtrans-72.6-42.9177.2-73.1-17266.700112.8L209 T213 L256 I257 E258 R263 S264L209-M260 HydrophobicContact CB-SD 4.5Å; T213-M260 HydrophobicContact CG2-SD 4.44Å; L256-M260 HydrophobicContact CD1-CG 4.08Å; L256-M260 HydrophobicContact CD1-SD 3.89Å; L256-M260 HydrophobicContact CG-SD 4.2Å; L256-M260 WeakPolarHBondContact O-CB 3.36Å; L256-M260 VanDerWaalsContact O-CG 3.29Å; L256-M260 WeakPolarHBondContact O-CG 3.45Å; L256-M260 PolarHBondContact O-N 3.43Å; I257-M260 PolarHBondContact O-N 2.8Å; I257-M260 VanDerWaalsContact O-N 3.17Å; E258-M260 VanDerWaalsContact C-N 3.31Å; E258-M260 PolarHBondContact O-N 2.89Å; M260-R263 PolarHBondContact O-N 2.77Å; M260-S264 PolarHBondContact O-N 3.03Å; M260-S264 PolarHBondContact O-OG 3.03Å
261E88.6Confident84.4Confident122 Ų12282.4 Ų82.457%0.5742%0.42SS*.Hα-helixtrans-67.4-43.5-180-72.6-178.3167.500112.2I257 E258 R263 S264 L265I257-E261 HydrophobicContact CG2-CG 4.39Å; I257-E261 WeakPolarHBondContact O-CG 3.48Å; I257-E261 PolarHBondContact O-N 3.48Å; E258-E261 PolarHBondContact O-N 3.24Å; E261-R263 PolarHBondContact O-N 3.03Å; E261-R263 VanDerWaalsContact O-N 3.08Å; E261-S264 PolarHBondContact O-N 3.31Å; E261-L265 PolarHBondContact O-N 2.87Å
262S82.6Confident83.7Confident44 Ų4481.4 Ų81.431%0.30842%0.42SS..Hα-helixtrans-62.7-18-179.562.70000114.3E258 A259 R266E258-S262 VanDerWaalsContact O-CB 3.27Å; E258-S262 WeakPolarHBondContact O-CB 3.48Å; E258-S262 PolarHBondContact O-N 3.05Å; E258-S262 PolarHBondContact O-OG 3.36Å; A259-S262 PolarHBondContact O-OG 2.8Å; A259-S262 VanDerWaalsContact O-OG 3.09Å; S262-R266 PolarHBondContact O-NE 3.29Å
263R78.1Confident82.9Confident27 Ų2776.9 Ų76.910%0.10240%0.402CS..Hα-helixtrans-105.4-30.6-178.7-64.6169.9158.453.7-4.3113T4 P5 E206 A259 M260 E261 L265 R266T4-R263 PolarHBondContact O-NH2 3.27Å; P5-R263 PolarHBondContact O-NH2 3.07Å; E206-R263 VanDerWaalsContact CD-CB 3.42Å; E206-R263 HydrophobicContact CG-CB 4.28Å; E206-R263 WeakPolarHBondContact OE1-CB 3.47Å; E206-R263 WeakPolarHBondContact OE2-CD 3.23Å; E206-R263 IonicContact OE2-NE 3.99Å; A259-R263 VanDerWaalsContact O-CD 3.3Å; A259-R263 WeakPolarHBondContact O-CD 3.32Å; A259-R263 WeakPolarHBondContact O-CG 3.45Å; M260-R263 PolarHBondContact O-N 2.77Å; E261-R263 PolarHBondContact O-N 3.03Å; E261-R263 VanDerWaalsContact O-N 3.08Å; R263-L265 PolarHBondContact O-N 2.75Å; R263-L265 VanDerWaalsContact O-N 3.14Å; R263-R266 PolarHBondContact O-N 3.29Å
264S67.2Low82Confident91 Ų9181.2 Ų81.264%0.63642%0.424SS*.Hα-helixtrans-61-21.2170.9-57.80000113.1M260 E261M260-S264 PolarHBondContact O-N 3.03Å; M260-S264 PolarHBondContact O-OG 3.03Å; E261-S264 PolarHBondContact O-N 3.31Å
265L49.8Very low80.9Confident154 Ų15482 Ų8281%0.80641%0.41SS*.THydrogen-bonded Turntrans-871.1176.3-68.4168000114.2E261 R263E261-L265 PolarHBondContact O-N 2.87Å; R263-L265 PolarHBondContact O-N 2.75Å; R263-L265 VanDerWaalsContact O-N 3.14Å
266R45.7Very low79.7Confident231 Ų23183.2 Ų83.287%0.87241%0.409SS*.  trans-108.80179.8-62.8-175.2-170.6-167.90.4111.7S262 R263S262-R266 PolarHBondContact O-NE 3.29Å; R263-R266 PolarHBondContact O-N 3.29Å

Retrieved 266 of 266 residues in 495.2 ms (Link to these results)

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