G4VPE1_SCHMA Loading...

Similar to 16 kDa calcium-binding protein

AlphaFold DB , UniProt , Accession G4VPE1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 147 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
1M67.1Low83.5Confident167 Ų16783.5 Ų83.582%0.82341%0.413SS*.  0145.90-55.8-142.795.500107.8G69 G72M1-G69 VanDerWaalsContact CE-O 3.26Å; M1-G69 WeakPolarHBondContact CE-O 3.44Å; M1-G72 WeakPolarHBondContact CE-O 3.35Å
2P73.1Confident84.2Confident44 Ų4490.3 Ų90.329%0.28643%0.431SS..  trans-62.2149.6175.7-16.830.4000111.3E6 V7 L70P2-E6 HydrophobicContact CB-CB 3.83Å; P2-V7 HydrophobicContact CB-CG2 3.99Å; P2-L70 HydrophobicContact CG-CD2 4.05Å
3S82.2Confident84.7Confident58 Ų5890.3 Ų90.341%0.40643%0.432SS..  trans-66.9157.916967.40000111K5 E6 V7S3-K5 PolarHBondContact O-N 3.24Å; S3-K5 VanDerWaalsContact O-N 3.11Å; S3-E6 VanDerWaalsContact CB-OE2 3.29Å; S3-E6 WeakPolarHBondContact CB-OE2 3.4Å; S3-E6 PolarHBondContact N-OE2 3.08Å; S3-E6 WeakPolarHBondContact O-CB 3.37Å; S3-E6 PolarHBondContact O-N 3.22Å; S3-E6 WeakPolarHBondContact OG-CG 3.45Å; S3-E6 PolarHBondContact OG-N 3.32Å; S3-E6 PolarHBondContact OG-OE2 3.17Å; S3-V7 WeakPolarHBondContact O-CG2 3.35Å; S3-V7 PolarHBondContact O-N 3.06Å
4K83.3Confident85.2Confident170 Ų17084.2 Ų84.274%0.73940%0.403SS*.Hα-helixtrans-51.4-39.1177.8-176.6175.5179.71760112.9V7 D8K4-V7 PolarHBondContact O-N 3.39Å; K4-D8 VanDerWaalsContact O-CG 3.29Å; K4-D8 PolarHBondContact O-N 2.59Å
5K85.9Confident85.7Confident146 Ų14689.9 Ų89.964%0.63542%0.419SS*.Hα-helixtrans-65.5-43.9178-172.8-176.3174.5-166.50111.8S3 V7 D8 E9S3-K5 PolarHBondContact O-N 3.24Å; S3-K5 VanDerWaalsContact O-N 3.11Å; K5-V7 VanDerWaalsContact C-N 3.35Å; K5-D8 PolarHBondContact O-N 3.44Å; K5-E9 WeakPolarHBondContact CE-OE1 3.45Å; K5-E9 WeakPolarHBondContact O-CG 3.47Å; K5-E9 PolarHBondContact O-N 2.91Å
6E86.2Confident86.2Confident99 Ų9990.8 Ų90.846%0.46343%0.427SS..Hα-helixtrans-64.7-40.4175.7-69.6163135.600111.1P2 S3 E9 L10P2-E6 HydrophobicContact CB-CB 3.83Å; S3-E6 VanDerWaalsContact CB-OE2 3.29Å; S3-E6 WeakPolarHBondContact CB-OE2 3.4Å; S3-E6 PolarHBondContact N-OE2 3.08Å; S3-E6 WeakPolarHBondContact O-CB 3.37Å; S3-E6 PolarHBondContact O-N 3.22Å; S3-E6 WeakPolarHBondContact OG-CG 3.45Å; S3-E6 PolarHBondContact OG-N 3.32Å; S3-E6 PolarHBondContact OG-OE2 3.17Å; E6-E9 PolarHBondContact O-N 3.01Å; E6-L10 VanDerWaalsContact O-CG 3.25Å; E6-L10 WeakPolarHBondContact O-CG 3.39Å; E6-L10 PolarHBondContact O-N 2.87Å
7V84.9Confident86.7Confident20 Ų2086.9 Ų86.912%0.12141%0.41CS..Hα-helixtrans-58.8-49.2173.3179.10000110.5P2 S3 K4 K5 E9 L10 L11 L70 V147P2-V7 HydrophobicContact CB-CG2 3.99Å; S3-V7 WeakPolarHBondContact O-CG2 3.35Å; S3-V7 PolarHBondContact O-N 3.06Å; K4-V7 PolarHBondContact O-N 3.39Å; K5-V7 VanDerWaalsContact C-N 3.35Å; V7-E9 VanDerWaalsContact C-N 3.27Å; V7-E9 PolarHBondContact O-N 2.81Å; V7-L10 PolarHBondContact O-N 2.93Å; V7-L11 HydrophobicContact CG1-CD1 3.96Å; V7-L11 HydrophobicContact CG1-CG 4.17Å; V7-L11 WeakPolarHBondContact O-CB 3.33Å; V7-L11 VanDerWaalsContact O-CG 3.27Å; V7-L11 WeakPolarHBondContact O-CG 3.39Å; V7-L11 PolarHBondContact O-N 2.91Å; V7-L70 HydrophobicContact CB-CD2 4.31Å; V7-L70 HydrophobicContact CG1-CD2 4.1Å; V7-L70 HydrophobicContact CG2-CD2 3.73Å; V7-V147 HydrophobicContact CG1-CG1 3.77Å
8D88.1Confident87.2Confident67 Ų6782.8 Ų82.836%0.35839%0.39SS..Hα-helixtrans-59.5-37.9178.4-72.5-23.8000112.1K4 K5 R12K4-D8 VanDerWaalsContact O-CG 3.29Å; K4-D8 PolarHBondContact O-N 2.59Å; K5-D8 PolarHBondContact O-N 3.44Å; D8-R12 WeakPolarHBondContact O-CB 3.21Å; D8-R12 WeakPolarHBondContact O-CD 3.41Å; D8-R12 WeakPolarHBondContact O-CG 3.37Å; D8-R12 PolarHBondContact O-N 2.87Å
9E90.1Very high87.5Confident96 Ų9687.8 Ų87.845%0.44941%0.405SS..Hα-helixtrans-67.5-44.8176-74.2171.6-170.900112.1K5 E6 V7 R12 M13K5-E9 WeakPolarHBondContact CE-OE1 3.45Å; K5-E9 WeakPolarHBondContact O-CG 3.47Å; K5-E9 PolarHBondContact O-N 2.91Å; E6-E9 PolarHBondContact O-N 3.01Å; V7-E9 VanDerWaalsContact C-N 3.27Å; V7-E9 PolarHBondContact O-N 2.81Å; E9-R12 PolarHBondContact O-N 3.37Å; E9-M13 WeakPolarHBondContact O-CG 3.26Å; E9-M13 PolarHBondContact O-N 3.15Å
10L87.8Confident87.8Confident33 Ų3388.3 Ų88.317%0.17341%0.411CS..Hα-helixtrans-61.1-45.2175.6-69168000111.4E6 V7 R12 M13 F14 Y64 L68 L70E6-L10 VanDerWaalsContact O-CG 3.25Å; E6-L10 WeakPolarHBondContact O-CG 3.39Å; E6-L10 PolarHBondContact O-N 2.87Å; V7-L10 PolarHBondContact O-N 2.93Å; L10-R12 VanDerWaalsContact C-N 3.33Å; L10-R12 PolarHBondContact O-N 3.17Å; L10-M13 HydrophobicContact CD2-CE 3.37Å; L10-M13 HydrophobicContact CG-CE 4.29Å; L10-M13 WeakPolarHBondContact O-CB 3.33Å; L10-M13 PolarHBondContact O-N 3.38Å; L10-F14 PolarHBondContact O-N 3.27Å; L10-F14 VanDerWaalsContact O-N 3.1Å; L10-Y64 HydrophobicContact CB-CE1 4.39Å; L10-Y64 WeakPolarHBondContact O-CE1 3.32Å; L10-Y64 PolarHBondContact O-OH 3.01Å; L10-L68 HydrophobicContact CB-CD1 4.16Å; L10-L68 HydrophobicContact CD1-CB 4.39Å; L10-L68 HydrophobicContact CD1-CD1 4.11Å; L10-L68 HydrophobicContact CD2-CD1 3.72Å; L10-L68 HydrophobicContact CD2-CD2 4.37Å; L10-L68 HydrophobicContact CG-CD1 4.19Å; L10-L70 HydrophobicContact CB-CD1 4.28Å; L10-L70 HydrophobicContact CD1-CD1 4.36Å; L10-L70 HydrophobicContact CD1-CD2 4.03Å
11L89.5Confident88Confident18 Ų1892.6 Ų92.69%0.09443%0.429CS..Hα-helixtrans-66.3-35178.1-66-175.1000112.4V7 R15 F61 L70V7-L11 HydrophobicContact CG1-CD1 3.96Å; V7-L11 HydrophobicContact CG1-CG 4.17Å; V7-L11 WeakPolarHBondContact O-CB 3.33Å; V7-L11 VanDerWaalsContact O-CG 3.27Å; V7-L11 WeakPolarHBondContact O-CG 3.39Å; V7-L11 PolarHBondContact O-N 2.91Å; L11-R15 WeakPolarHBondContact O-CG 3.5Å; L11-R15 PolarHBondContact O-N 2.93Å; L11-F61 HydrophobicContact CD2-CE2 3.59Å; L11-F61 HydrophobicContact CD2-CZ 3.55Å; L11-L70 HydrophobicContact CD2-CD1 4.08Å
12R91.8Very high89.3Confident165 Ų16588.4 Ų88.462%0.62341%0.41SS*.Hα-helixtrans-65.5-43.3172.1-75.5168.6-168.2-149.94.1111.4D8 E9 L10 F14 R15 D16D8-R12 WeakPolarHBondContact O-CB 3.21Å; D8-R12 WeakPolarHBondContact O-CD 3.41Å; D8-R12 WeakPolarHBondContact O-CG 3.37Å; D8-R12 PolarHBondContact O-N 2.87Å; E9-R12 PolarHBondContact O-N 3.37Å; L10-R12 VanDerWaalsContact C-N 3.33Å; L10-R12 PolarHBondContact O-N 3.17Å; R12-F14 VanDerWaalsContact C-N 3.29Å; R12-F14 PolarHBondContact O-N 2.98Å; R12-R15 PolarHBondContact O-N 2.7Å; R12-D16 WeakPolarHBondContact O-CB 3.42Å; R12-D16 PolarHBondContact O-N 2.74Å
13M90.7Very high90.2Very high91 Ų9187.3 Ų87.345%0.44841%0.406SS..Hα-helixtrans-59-41.3177.4-74.5-167.7-63.800112.2E9 L10 D16 I17E9-M13 WeakPolarHBondContact O-CG 3.26Å; E9-M13 PolarHBondContact O-N 3.15Å; L10-M13 HydrophobicContact CD2-CE 3.37Å; L10-M13 HydrophobicContact CG-CE 4.29Å; L10-M13 WeakPolarHBondContact O-CB 3.33Å; L10-M13 PolarHBondContact O-N 3.38Å; M13-D16 PolarHBondContact O-N 2.9Å; M13-I17 WeakPolarHBondContact O-CD1 3.48Å; M13-I17 VanDerWaalsContact O-CG1 3.24Å; M13-I17 WeakPolarHBondContact O-CG1 3.34Å; M13-I17 PolarHBondContact O-N 2.92Å
14F92.1Very high90.8Very high5 Ų588.2 Ų88.22%0.02240%0.401CS..Hα-helixtrans-57.5-52.7174.9-173.3-83.3000111.1L10 R12 D16 I17 D18 G23 I25 F61 Y64L10-F14 PolarHBondContact O-N 3.27Å; L10-F14 VanDerWaalsContact O-N 3.1Å; R12-F14 VanDerWaalsContact C-N 3.29Å; R12-F14 PolarHBondContact O-N 2.98Å; F14-D16 PolarHBondContact O-N 3.37Å; F14-I17 PolarHBondContact O-N 3.22Å; F14-D18 HydrophobicContact CD1-CB 4.2Å; F14-D18 HydrophobicContact CE1-CB 3.86Å; F14-D18 WeakPolarHBondContact O-CB 3.42Å; F14-D18 PolarHBondContact O-N 3.29Å; F14-G23 WeakPolarHBondContact CZ-O 3.41Å; F14-I25 HydrophobicContact CD2-CD1 3.38Å; F14-I25 HydrophobicContact CD2-CG1 4.04Å; F14-I25 HydrophobicContact CE2-CD1 3.53Å; F14-I25 HydrophobicContact CE2-CG1 3.72Å; F14-I25 HydrophobicContact CG-CD1 4.02Å; F14-I25 HydrophobicContact CZ-CD1 4.26Å; F14-I25 HydrophobicContact CZ-CG1 3.99Å; F14-F61 AromaticContact CD1-CD2 3.72Å; F14-F61 HydrophobicContact CD1-CD2 3.72Å; F14-F61 HydrophobicContact CD1-CE2 4.24Å; F14-F61 HydrophobicContact CD2-CD2 4.04Å; F14-F61 HydrophobicContact CE1-CB 4.19Å; F14-F61 AromaticContact CE1-CD2 3.84Å; F14-F61 HydrophobicContact CE1-CD2 3.84Å; F14-F61 HydrophobicContact CE1-CG 4.42Å; F14-F61 HydrophobicContact CE2-CB 4.34Å; F14-F61 HydrophobicContact CE2-CD2 4.14Å; F14-F61 AromaticContact CG-CD2 3.84Å; F14-F61 HydrophobicContact CG-CD2 3.84Å; F14-F61 HydrophobicContact CG-CE2 4.26Å; F14-F61 HydrophobicContact CZ-CB 3.9Å; F14-F61 HydrophobicContact CZ-CD2 4.05Å; F14-F61 HydrophobicContact CZ-CG 4.48Å; F14-Y64 HydrophobicContact CB-CD1 4.08Å; F14-Y64 HydrophobicContact CB-CE1 3.87Å; F14-Y64 AromaticContact CD2-CD1 3.72Å; F14-Y64 HydrophobicContact CD2-CD1 3.72Å; F14-Y64 AromaticContact CD2-CD2 3.94Å; F14-Y64 HydrophobicContact CD2-CD2 3.94Å; F14-Y64 HydrophobicContact CD2-CE1 4.26Å; F14-Y64 HydrophobicContact CD2-CE2 4.46Å; F14-Y64 AromaticContact CD2-CG 3.53Å; F14-Y64 HydrophobicContact CD2-CG 3.53Å; F14-Y64 HydrophobicContact CE2-CG 4.17Å; F14-Y64 HydrophobicContact CG-CD1 4.27Å; F14-Y64 HydrophobicContact CG-CG 4.49Å
15R93.4Very high91.4Very high170 Ų17080.2 Ų80.264%0.64237%0.367SS*.Hα-helixtrans-63.7-28.5-179.4-67.3174.2-175.9173.73.1113.7L11 R12 I17L11-R15 WeakPolarHBondContact O-CG 3.5Å; L11-R15 PolarHBondContact O-N 2.93Å; R12-R15 PolarHBondContact O-N 2.7Å; R15-I17 VanDerWaalsContact C-N 3.29Å
16D93.8Very high91.9Very high103 Ų10374.6 Ų74.655%0.55135%0.346SS*.Hα-helixtrans-73.5-24176-86.419.9000112.5R12 M13 F14 K33R12-D16 WeakPolarHBondContact O-CB 3.42Å; R12-D16 PolarHBondContact O-N 2.74Å; M13-D16 PolarHBondContact O-N 2.9Å; F14-D16 PolarHBondContact O-N 3.37Å; D16-K33 IonicContact OD2-NZ 3.95Å
17I94.4Very high92.2Very high26 Ų2675 Ų7513%0.13334%0.343CS..Hα-helixtrans-94.3-44.8-179.5-61.2166.2000110.5M13 F14 R15 R19 I25 E29 L30 K33M13-I17 WeakPolarHBondContact O-CD1 3.48Å; M13-I17 VanDerWaalsContact O-CG1 3.24Å; M13-I17 WeakPolarHBondContact O-CG1 3.34Å; M13-I17 PolarHBondContact O-N 2.92Å; F14-I17 PolarHBondContact O-N 3.22Å; R15-I17 VanDerWaalsContact C-N 3.29Å; I17-R19 VanDerWaalsContact C-N 3.32Å; I17-R19 WeakPolarHBondContact O-CG 3.29Å; I17-R19 PolarHBondContact O-N 3.32Å; I17-I25 HydrophobicContact CB-CD1 3.94Å; I17-I25 HydrophobicContact CB-CG1 4.15Å; I17-I25 HydrophobicContact CD1-CD1 4.29Å; I17-I25 HydrophobicContact CG2-CB 4.28Å; I17-I25 HydrophobicContact CG2-CD1 3.94Å; I17-I25 HydrophobicContact CG2-CG1 3.86Å; I17-I25 HydrophobicContact CG2-CG2 3.52Å; I17-E29 HydrophobicContact CG2-CB 4.03Å; I17-E29 WeakPolarHBondContact O-CB 3.35Å; I17-E29 WeakPolarHBondContact O-CG 3.41Å; I17-L30 HydrophobicContact CG2-CD2 4.26Å; I17-K33 HydrophobicContact CG1-CB 4.37Å; I17-K33 HydrophobicContact CG1-CD 4.26Å; I17-K33 HydrophobicContact CG1-CG 3.98Å
18D95.1Very high92.7Very high12 Ų1278.8 Ų78.86%0.06437%0.366CS..  trans-68.985172.3173.910.8000109.6F14 N20 K21 D22 G23 I25F14-D18 HydrophobicContact CD1-CB 4.2Å; F14-D18 HydrophobicContact CE1-CB 3.86Å; F14-D18 WeakPolarHBondContact O-CB 3.42Å; F14-D18 PolarHBondContact O-N 3.29Å; D18-N20 PolarHBondContact OD1-OD1 2.98Å; D18-K21 WeakPolarHBondContact OD1-CA 3.42Å; D18-K21 PolarHBondContact OD1-N 2.99Å; D18-K21 WeakPolarHBondContact OD2-CA 3.13Å; D18-D22 PolarHBondContact OD1-N 3.22Å; D18-D22 VanDerWaalsContact OD1-N 3.12Å; D18-G23 WeakPolarHBondContact OD2-CA 3.4Å; D18-G23 PolarHBondContact OD2-N 3.19Å; D18-I25 HydrophobicContact CB-CG1 4.33Å
19R92.6Very high93.1Very high178 Ų17876.3 Ų76.367%0.67235%0.352SS*.SBendtrans-80.7-34.8-170.5-70-176.979.2-1785.6111.5I17 K21 E29I17-R19 VanDerWaalsContact C-N 3.32Å; I17-R19 WeakPolarHBondContact O-CG 3.29Å; I17-R19 PolarHBondContact O-N 3.32Å; R19-K21 VanDerWaalsContact C-N 3.26Å; R19-E29 PolarHBondContact N-OE1 2.88Å
20N94.4Very high93.3Very high98 Ų9872 Ų7252%0.52433%0.333SS..SBendtrans-80.8-10.9177.469.3-2.7000112D18 D22 E29D18-N20 PolarHBondContact OD1-OD1 2.98Å; N20-D22 VanDerWaalsContact C-N 3.28Å; N20-D22 VanDerWaalsContact ND2-CG 3.3Å; N20-D22 PolarHBondContact ND2-OD2 3.32Å; N20-D22 PolarHBondContact O-N 3.43Å; N20-D22 PolarHBondContact OD1-N 3.27Å; N20-D22 VanDerWaalsContact OD1-N 3.13Å; N20-D22 PolarHBondContact OD1-OD1 3.11Å; N20-D22 PolarHBondContact OD1-OD2 2.91Å; N20-E29 PolarHBondContact OD1-OE1 3.04Å
21K92.1Very high93.6Very high179 Ų17972.8 Ų72.878%0.77834%0.335SS*.  trans62.235.6178.7-55.1179.9-179.4177.70112.1D18 R19 G23D18-K21 WeakPolarHBondContact OD1-CA 3.42Å; D18-K21 PolarHBondContact OD1-N 2.99Å; D18-K21 WeakPolarHBondContact OD2-CA 3.13Å; R19-K21 VanDerWaalsContact C-N 3.26Å; K21-G23 VanDerWaalsContact C-N 3.27Å
22D94.5Very high93.8Very high79 Ų7975.7 Ų75.742%0.42235%0.354SS..SBendtrans-84.1-5.9176.470.110.4000112.6D18 N20 Y24D18-D22 PolarHBondContact OD1-N 3.22Å; D18-D22 VanDerWaalsContact OD1-N 3.12Å; N20-D22 VanDerWaalsContact C-N 3.28Å; N20-D22 VanDerWaalsContact ND2-CG 3.3Å; N20-D22 PolarHBondContact ND2-OD2 3.32Å; N20-D22 PolarHBondContact O-N 3.43Å; N20-D22 PolarHBondContact OD1-N 3.27Å; N20-D22 VanDerWaalsContact OD1-N 3.13Å; N20-D22 PolarHBondContact OD1-OD1 3.11Å; N20-D22 PolarHBondContact OD1-OD2 2.91Å; D22-Y24 HydrophobicContact CB-CD2 4.49Å; D22-Y24 VanDerWaalsContact O-CD2 3.28Å; D22-Y24 WeakPolarHBondContact O-CD2 3.37Å; D22-Y24 WeakPolarHBondContact O-CE2 3.42Å; D22-Y24 WeakPolarHBondContact OD1-CA 3.41Å; D22-Y24 WeakPolarHBondContact OD1-CB 3.39Å; D22-Y24 PolarHBondContact OD1-N 3.35Å
23G92.1Very high93.8Very high21 Ų2173.6 Ų73.622%0.21635%0.349CS..SBendtrans89.76.5-178.800000113.7F14 D18 K21 F61F14-G23 WeakPolarHBondContact CZ-O 3.41Å; D18-G23 WeakPolarHBondContact OD2-CA 3.4Å; D18-G23 PolarHBondContact OD2-N 3.19Å; K21-G23 VanDerWaalsContact C-N 3.27Å; G23-F61 PolarHBondContact O-N 3.26Å
24Y95.3Very high93.8Very high76 Ų7671.3 Ų71.330%0.29834%0.338SS..EExtended strand (participates in β ladder)trans-124.9150.5179.8-58-96.5000110.4D22 M58 I59D22-Y24 HydrophobicContact CB-CD2 4.49Å; D22-Y24 VanDerWaalsContact O-CD2 3.28Å; D22-Y24 WeakPolarHBondContact O-CD2 3.37Å; D22-Y24 WeakPolarHBondContact O-CE2 3.42Å; D22-Y24 WeakPolarHBondContact OD1-CA 3.41Å; D22-Y24 WeakPolarHBondContact OD1-CB 3.39Å; D22-Y24 PolarHBondContact OD1-N 3.35Å; Y24-M58 HydrophobicContact CD1-CB 4.35Å; Y24-M58 HydrophobicContact CD1-CE 4.02Å; Y24-M58 HydrophobicContact CE1-CE 4.48Å; Y24-M58 HydrophobicContact CG-CE 4.33Å; Y24-I59 CarbonylContact C-O 3.36Å; Y24-I59 WeakPolarHBondContact CA-O 3.39Å
25I95.2Very high93.7Very high3 Ų372.1 Ų72.12%0.01535%0.348CS..EExtended strand (participates in β ladder)trans-104.8107.4167.1-68.5171.8000107.8F14 I17 D18 L30 M58 I59F14-I25 HydrophobicContact CD2-CD1 3.38Å; F14-I25 HydrophobicContact CD2-CG1 4.04Å; F14-I25 HydrophobicContact CE2-CD1 3.53Å; F14-I25 HydrophobicContact CE2-CG1 3.72Å; F14-I25 HydrophobicContact CG-CD1 4.02Å; F14-I25 HydrophobicContact CZ-CD1 4.26Å; F14-I25 HydrophobicContact CZ-CG1 3.99Å; I17-I25 HydrophobicContact CB-CD1 3.94Å; I17-I25 HydrophobicContact CB-CG1 4.15Å; I17-I25 HydrophobicContact CD1-CD1 4.29Å; I17-I25 HydrophobicContact CG2-CB 4.28Å; I17-I25 HydrophobicContact CG2-CD1 3.94Å; I17-I25 HydrophobicContact CG2-CG1 3.86Å; I17-I25 HydrophobicContact CG2-CG2 3.52Å; D18-I25 HydrophobicContact CB-CG1 4.33Å; I25-L30 HydrophobicContact CG2-CD1 4.06Å; I25-L30 HydrophobicContact CG2-CD2 3.68Å; I25-L30 HydrophobicContact CG2-CG 3.48Å; I25-L30 VanDerWaalsContact CG2-CG 3.48Å; I25-M58 WeakPolarHBondContact O-CA 3.46Å; I25-I59 HydrophobicContact CB-CB 4.24Å; I25-I59 PolarHBondContact N-O 3.38Å; I25-I59 PolarHBondContact O-N 2.87Å
26S95.3Very high93.5Very high27 Ų2768.2 Ų68.219%0.18934%0.343CS..  trans-77.6159.8174.468.50000111.8T28 E29 L30S26-T28 PolarHBondContact O-N 3.49Å; S26-E29 WeakPolarHBondContact CB-OE2 3.43Å; S26-E29 PolarHBondContact N-OE2 3.35Å; S26-E29 PolarHBondContact O-N 3.13Å; S26-E29 VanDerWaalsContact O-N 3.13Å; S26-E29 WeakPolarHBondContact OG-CG 3.41Å; S26-E29 PolarHBondContact OG-N 3.43Å; S26-E29 PolarHBondContact OG-OE2 3Å; S26-L30 PolarHBondContact O-N 2.87Å
27R94Very high93.5Very high107 Ų10766.9 Ų66.940%0.40434%0.339SS..Hα-helixtrans-52.8-40.8169.2-77.7176.7149.6-130.70.7112.6E29 L30 F31 H45 I48R27-E29 VanDerWaalsContact C-N 3.31Å; R27-E29 PolarHBondContact O-N 3.48Å; R27-L30 PolarHBondContact O-N 2.91Å; R27-F31 HydrophobicContact CB-CD2 4.37Å; R27-F31 HydrophobicContact CB-CE2 4.04Å; R27-F31 WeakPolarHBondContact O-CD2 3.39Å; R27-F31 WeakPolarHBondContact O-CG 3.37Å; R27-F31 PolarHBondContact O-N 3.46Å; R27-H45 PolarHBondContact NH2-ND1 3.25Å; R27-I48 HydrophobicContact CG-CD1 4.21Å; R27-I48 HydrophobicContact CG-CG1 3.97Å
28T94.5Very high93.4Very high101 Ų10170 Ų7062%0.6236%0.362SS*.Hα-helixtrans-62-40.5-180-58.20000111.3S26 F31 T32S26-T28 PolarHBondContact O-N 3.49Å; T28-F31 PolarHBondContact O-N 3.31Å; T28-T32 WeakPolarHBondContact O-CB 2.98Å; T28-T32 PolarHBondContact O-N 2.73Å; T28-T32 PolarHBondContact O-OG1 3.22Å
29E96.3Very high93.2Very high14 Ų1473.3 Ų73.37%0.06539%0.385CS..Hα-helixtrans-68.8-41.4176.4-75.2162.9136.800112.2I17 R19 N20 S26 R27 F31 T32 K33I17-E29 HydrophobicContact CG2-CB 4.03Å; I17-E29 WeakPolarHBondContact O-CB 3.35Å; I17-E29 WeakPolarHBondContact O-CG 3.41Å; R19-E29 PolarHBondContact N-OE1 2.88Å; N20-E29 PolarHBondContact OD1-OE1 3.04Å; S26-E29 WeakPolarHBondContact CB-OE2 3.43Å; S26-E29 PolarHBondContact N-OE2 3.35Å; S26-E29 PolarHBondContact O-N 3.13Å; S26-E29 VanDerWaalsContact O-N 3.13Å; S26-E29 WeakPolarHBondContact OG-CG 3.41Å; S26-E29 PolarHBondContact OG-N 3.43Å; S26-E29 PolarHBondContact OG-OE2 3Å; R27-E29 VanDerWaalsContact C-N 3.31Å; R27-E29 PolarHBondContact O-N 3.48Å; E29-F31 PolarHBondContact O-N 3.46Å; E29-T32 WeakPolarHBondContact O-CB 3.46Å; E29-T32 PolarHBondContact O-N 3.04Å; E29-T32 VanDerWaalsContact O-N 3.15Å; E29-K33 PolarHBondContact O-N 3.42Å
30L94.1Very high93.1Very high6 Ų666.6 Ų66.63%0.03136%0.362CS..Hα-helixtrans-60.6-45.3172.6-72.8173.8000112.1I17 I25 S26 R27 T32 K33 I34 V44 L47 I48 I59I17-L30 HydrophobicContact CG2-CD2 4.26Å; I25-L30 HydrophobicContact CG2-CD1 4.06Å; I25-L30 HydrophobicContact CG2-CD2 3.68Å; I25-L30 HydrophobicContact CG2-CG 3.48Å; I25-L30 VanDerWaalsContact CG2-CG 3.48Å; S26-L30 PolarHBondContact O-N 2.87Å; R27-L30 PolarHBondContact O-N 2.91Å; L30-T32 PolarHBondContact O-N 3.13Å; L30-K33 PolarHBondContact O-N 3.49Å; L30-I34 HydrophobicContact CD2-CD1 4.3Å; L30-I34 WeakPolarHBondContact O-CB 3.29Å; L30-I34 WeakPolarHBondContact O-CG1 3.39Å; L30-I34 PolarHBondContact O-N 3.14Å; L30-V44 HydrophobicContact CB-CB 4.43Å; L30-V44 HydrophobicContact CB-CG1 3.79Å; L30-V44 HydrophobicContact CB-CG2 3.89Å; L30-V44 HydrophobicContact CD1-CG1 3.99Å; L30-L47 HydrophobicContact CD1-CB 4.45Å; L30-L47 HydrophobicContact CD2-CD1 4.2Å; L30-I48 HydrophobicContact CD1-CD1 3.56Å; L30-I48 HydrophobicContact CD1-CG1 3.87Å; L30-I59 HydrophobicContact CD1-CD1 4.28Å
31F94.4Very high92.9Very high49 Ų4968.9 Ų68.922%0.21536%0.364CS..Hα-helixtrans-61.4-36.3174.9-72.5-49.8000112.2R27 T28 E29 K33 G35 T36 R41 V44R27-F31 HydrophobicContact CB-CD2 4.37Å; R27-F31 HydrophobicContact CB-CE2 4.04Å; R27-F31 WeakPolarHBondContact O-CD2 3.39Å; R27-F31 WeakPolarHBondContact O-CG 3.37Å; R27-F31 PolarHBondContact O-N 3.46Å; T28-F31 PolarHBondContact O-N 3.31Å; E29-F31 PolarHBondContact O-N 3.46Å; F31-K33 VanDerWaalsContact C-N 3.34Å; F31-G35 CarbonylContact O-C 3.59Å; F31-G35 VanDerWaalsContact O-CA 3.26Å; F31-G35 WeakPolarHBondContact O-CA 3.25Å; F31-G35 PolarHBondContact O-N 3.28Å; F31-T36 HydrophobicContact CB-CG2 4.07Å; F31-T36 HydrophobicContact CG-CG2 4.5Å; F31-R41 HydrophobicContact CD1-CG 4.42Å; F31-R41 HydrophobicContact CE1-CB 4.22Å; F31-R41 HydrophobicContact CE1-CG 3.75Å; F31-R41 HydrophobicContact CZ-CG 4.48Å; F31-V44 HydrophobicContact CD1-CB 4.11Å; F31-V44 HydrophobicContact CD1-CG1 4.17Å; F31-V44 HydrophobicContact CD1-CG2 3.63Å; F31-V44 HydrophobicContact CE1-CB 3.67Å; F31-V44 HydrophobicContact CE1-CG1 3.73Å; F31-V44 HydrophobicContact CE1-CG2 3.72Å; F31-V44 HydrophobicContact CE2-CG1 4.31Å; F31-V44 HydrophobicContact CG-CG2 4.42Å; F31-V44 HydrophobicContact CZ-CB 4.21Å; F31-V44 HydrophobicContact CZ-CG1 3.81Å
32T93.2Very high92.9Very high80 Ų8066.4 Ų66.449%0.49136%0.355SS..Hα-helixtrans-67.7-36.1177-58.10000111.7T28 E29 L30T28-T32 WeakPolarHBondContact O-CB 2.98Å; T28-T32 PolarHBondContact O-N 2.73Å; T28-T32 PolarHBondContact O-OG1 3.22Å; E29-T32 WeakPolarHBondContact O-CB 3.46Å; E29-T32 PolarHBondContact O-N 3.04Å; E29-T32 VanDerWaalsContact O-N 3.15Å; L30-T32 PolarHBondContact O-N 3.13Å
33K91.8Very high92.7Very high120 Ų12068 Ų6852%0.52236%0.358SS..Hα-helixtrans-81-41.4179.8-170.472.3172.6-167.10113.4D16 I17 E29 L30 F31D16-K33 IonicContact OD2-NZ 3.95Å; I17-K33 HydrophobicContact CG1-CB 4.37Å; I17-K33 HydrophobicContact CG1-CD 4.26Å; I17-K33 HydrophobicContact CG1-CG 3.98Å; E29-K33 PolarHBondContact O-N 3.42Å; L30-K33 PolarHBondContact O-N 3.49Å; F31-K33 VanDerWaalsContact C-N 3.34Å
34I91.2Very high92.6Very high44 Ų4467 Ų6723%0.22635%0.348CS..Hα-helixtrans-94.2-39.4-170.6-59.6179.5000111.1L30 D40 K43 V44 L47L30-I34 HydrophobicContact CD2-CD1 4.3Å; L30-I34 WeakPolarHBondContact O-CB 3.29Å; L30-I34 WeakPolarHBondContact O-CG1 3.39Å; L30-I34 PolarHBondContact O-N 3.14Å; I34-D40 HydrophobicContact CG2-CB 3.92Å; I34-K43 HydrophobicContact CD1-CD 4.47Å; I34-K43 HydrophobicContact CD1-CG 4.44Å; I34-K43 HydrophobicContact CG2-CD 3.99Å; I34-V44 HydrophobicContact CB-CG2 4.35Å; I34-V44 HydrophobicContact CD1-CG2 4.04Å; I34-L47 HydrophobicContact CD1-CD1 3.43Å; I34-L47 VanDerWaalsContact CD1-CD1 3.43Å
35G90.1Very high92.4Very high22 Ų2268.1 Ų68.123%0.22736%0.355CS..  trans122.5175-173.700000112.4F31 D40F31-G35 CarbonylContact O-C 3.59Å; F31-G35 VanDerWaalsContact O-CA 3.26Å; F31-G35 WeakPolarHBondContact O-CA 3.25Å; F31-G35 PolarHBondContact O-N 3.28Å; G35-D40 VanDerWaalsContact C-CB 3.49Å; G35-D40 WeakPolarHBondContact CA-OD2 3.27Å; G35-D40 WeakPolarHBondContact O-CB 3.48Å
36T90.3Very high92.2Very high88 Ų8873.2 Ų73.254%0.5438%0.379SS..SBendtrans-121.27.3-175.8580000113.4F31 R41F31-T36 HydrophobicContact CB-CG2 4.07Å; F31-T36 HydrophobicContact CG-CG2 4.5Å; T36-R41 PolarHBondContact O-NE 3.45Å
37T93Very high91.9Very high75 Ų7574.1 Ų74.146%0.4638%0.381SS..SBendtrans-64159.8174.272.90000110.1P39 D40 R41T37-P39 WeakPolarHBondContact OG1-CD 3.27Å; T37-P39 WeakPolarHBondContact OG1-CG 3.46Å; T37-D40 WeakPolarHBondContact CB-OD2 3.38Å; T37-D40 WeakPolarHBondContact CG2-OD2 3.23Å; T37-D40 PolarHBondContact N-OD2 2.93Å; T37-D40 WeakPolarHBondContact O-CB 3.24Å; T37-D40 PolarHBondContact O-N 2.88Å; T37-D40 VanDerWaalsContact O-N 3.08Å; T37-D40 PolarHBondContact OG1-N 3.37Å; T37-D40 PolarHBondContact OG1-OD2 2.84Å; T37-R41 WeakPolarHBondContact O-CG 3.49Å; T37-R41 PolarHBondContact O-N 3.02Å
38S91.3Very high91.8Very high90 Ų9069.5 Ų69.563%0.62937%0.365SS*.Hα-helixtrans-50.7-47.5177.6-55.90000114.2R41 Q42S38-R41 PolarHBondContact O-N 3.1Å; S38-Q42 PolarHBondContact O-N 3.33Å
39P91.3Very high91.6Very high83 Ų8374.1 Ų74.154%0.53937%0.371SS..Hα-helixtrans-65.1-37.8175.424.1-33000112.8T37 R41 Q42 K43T37-P39 WeakPolarHBondContact OG1-CD 3.27Å; T37-P39 WeakPolarHBondContact OG1-CG 3.46Å; P39-R41 VanDerWaalsContact C-N 3.29Å; P39-R41 PolarHBondContact O-N 2.9Å; P39-Q42 PolarHBondContact O-N 3.28Å; P39-K43 PolarHBondContact O-N 2.96Å
40D91Very high91.1Very high36 Ų3678.9 Ų78.919%0.19340%0.396CS..Hα-helixtrans-62.4-39.7175.9-58.5-32.4000111.2I34 G35 T37 Q42 K43 V44I34-D40 HydrophobicContact CG2-CB 3.92Å; G35-D40 VanDerWaalsContact C-CB 3.49Å; G35-D40 WeakPolarHBondContact CA-OD2 3.27Å; G35-D40 WeakPolarHBondContact O-CB 3.48Å; T37-D40 WeakPolarHBondContact CB-OD2 3.38Å; T37-D40 WeakPolarHBondContact CG2-OD2 3.23Å; T37-D40 PolarHBondContact N-OD2 2.93Å; T37-D40 WeakPolarHBondContact O-CB 3.24Å; T37-D40 PolarHBondContact O-N 2.88Å; T37-D40 VanDerWaalsContact O-N 3.08Å; T37-D40 PolarHBondContact OG1-N 3.37Å; T37-D40 PolarHBondContact OG1-OD2 2.84Å; D40-Q42 VanDerWaalsContact C-N 3.33Å; D40-Q42 PolarHBondContact O-N 2.91Å; D40-K43 WeakPolarHBondContact O-CB 3.38Å; D40-K43 PolarHBondContact O-N 3.11Å; D40-V44 WeakPolarHBondContact O-CG2 3.4Å; D40-V44 PolarHBondContact O-N 3.22Å
41R91.1Very high90.9Very high147 Ų14779.8 Ų79.856%0.55540%0.4SS*.Hα-helixtrans-63.1-38.9178.2-70.6178-179.8-126.40.4113F31 T36 T37 S38 P39 H45F31-R41 HydrophobicContact CD1-CG 4.42Å; F31-R41 HydrophobicContact CE1-CB 4.22Å; F31-R41 HydrophobicContact CE1-CG 3.75Å; F31-R41 HydrophobicContact CZ-CG 4.48Å; T36-R41 PolarHBondContact O-NE 3.45Å; T37-R41 WeakPolarHBondContact O-CG 3.49Å; T37-R41 PolarHBondContact O-N 3.02Å; S38-R41 PolarHBondContact O-N 3.1Å; P39-R41 VanDerWaalsContact C-N 3.29Å; P39-R41 PolarHBondContact O-N 2.9Å; R41-H45 WeakPolarHBondContact O-CB 3.41Å; R41-H45 PolarHBondContact O-N 3.26Å
42Q91.2Very high90.7Very high127 Ų12778.1 Ų78.159%0.59339%0.393SS*.Hα-helixtrans-63.8-45173.7-69.8176.30.500110.5S38 P39 D40 V44 H45 E46S38-Q42 PolarHBondContact O-N 3.33Å; P39-Q42 PolarHBondContact O-N 3.28Å; D40-Q42 VanDerWaalsContact C-N 3.33Å; D40-Q42 PolarHBondContact O-N 2.91Å; Q42-V44 PolarHBondContact O-N 3.41Å; Q42-H45 WeakPolarHBondContact O-CB 3.47Å; Q42-H45 PolarHBondContact O-N 3.19Å; Q42-H45 VanDerWaalsContact O-N 3.13Å; Q42-E46 WeakPolarHBondContact O-CG 3.4Å; Q42-E46 PolarHBondContact O-N 3.36Å
43K89.5Confident90.5Very high112 Ų11274.9 Ų74.949%0.48737%0.373SS..Hα-helixtrans-60.6-43.1176.9-173.2175179.2-179.20113I34 P39 D40 H45 E46 L47I34-K43 HydrophobicContact CD1-CD 4.47Å; I34-K43 HydrophobicContact CD1-CG 4.44Å; I34-K43 HydrophobicContact CG2-CD 3.99Å; P39-K43 PolarHBondContact O-N 2.96Å; D40-K43 WeakPolarHBondContact O-CB 3.38Å; D40-K43 PolarHBondContact O-N 3.11Å; K43-H45 VanDerWaalsContact C-N 3.32Å; K43-H45 PolarHBondContact O-N 3.25Å; K43-E46 PolarHBondContact O-N 2.83Å; K43-L47 HydrophobicContact CG-CD1 4.44Å; K43-L47 WeakPolarHBondContact O-CG 3.08Å; K43-L47 PolarHBondContact O-N 2.91Å
44V90.9Very high90.3Very high0 Ų072.3 Ų72.30%037%0.365CS..Hα-helixtrans-61-43.9174.5172.50000110.7L30 F31 I34 D40 Q42 E46 L47 I48L30-V44 HydrophobicContact CB-CB 4.43Å; L30-V44 HydrophobicContact CB-CG1 3.79Å; L30-V44 HydrophobicContact CB-CG2 3.89Å; L30-V44 HydrophobicContact CD1-CG1 3.99Å; F31-V44 HydrophobicContact CD1-CB 4.11Å; F31-V44 HydrophobicContact CD1-CG1 4.17Å; F31-V44 HydrophobicContact CD1-CG2 3.63Å; F31-V44 HydrophobicContact CE1-CB 3.67Å; F31-V44 HydrophobicContact CE1-CG1 3.73Å; F31-V44 HydrophobicContact CE1-CG2 3.72Å; F31-V44 HydrophobicContact CE2-CG1 4.31Å; F31-V44 HydrophobicContact CG-CG2 4.42Å; F31-V44 HydrophobicContact CZ-CB 4.21Å; F31-V44 HydrophobicContact CZ-CG1 3.81Å; I34-V44 HydrophobicContact CB-CG2 4.35Å; I34-V44 HydrophobicContact CD1-CG2 4.04Å; D40-V44 WeakPolarHBondContact O-CG2 3.4Å; D40-V44 PolarHBondContact O-N 3.22Å; Q42-V44 PolarHBondContact O-N 3.41Å; V44-E46 VanDerWaalsContact C-N 3.34Å; V44-E46 PolarHBondContact O-N 2.82Å; V44-L47 PolarHBondContact O-N 2.71Å; V44-I48 WeakPolarHBondContact O-CG1 3.42Å; V44-I48 PolarHBondContact O-N 3.48Å
45H90.9Very high90.2Very high99 Ų9972.3 Ų72.346%0.45838%0.375SS..Hα-helixtrans-62.4-41.8178-175.365.2000112.3R27 R41 Q42 K43 R49R27-H45 PolarHBondContact NH2-ND1 3.25Å; R41-H45 WeakPolarHBondContact O-CB 3.41Å; R41-H45 PolarHBondContact O-N 3.26Å; Q42-H45 WeakPolarHBondContact O-CB 3.47Å; Q42-H45 PolarHBondContact O-N 3.19Å; Q42-H45 VanDerWaalsContact O-N 3.13Å; K43-H45 VanDerWaalsContact C-N 3.32Å; K43-H45 PolarHBondContact O-N 3.25Å; H45-R49 VanDerWaalsContact O-CB 3.27Å; H45-R49 WeakPolarHBondContact O-CB 3.35Å; H45-R49 PolarHBondContact O-N 2.8Å
46E90.4Very high90.3Very high111 Ų11174.6 Ų74.652%0.51938%0.383SS..Hα-helixtrans-64.2-44.5175.4-73172.8-177.300112Q42 K43 V44 R49 L50Q42-E46 WeakPolarHBondContact O-CG 3.4Å; Q42-E46 PolarHBondContact O-N 3.36Å; K43-E46 PolarHBondContact O-N 2.83Å; V44-E46 VanDerWaalsContact C-N 3.34Å; V44-E46 PolarHBondContact O-N 2.82Å; E46-R49 PolarHBondContact O-N 3.39Å; E46-L50 WeakPolarHBondContact O-CB 3.36Å; E46-L50 VanDerWaalsContact O-CG 3.23Å; E46-L50 WeakPolarHBondContact O-CG 3.08Å; E46-L50 PolarHBondContact O-N 3.08Å
47L90.2Very high90.3Very high45 Ų4571.7 Ų71.724%0.23637%0.37CS..Hα-helixtrans-60.5-49177.3-75.4173.4000111.7L30 I34 K43 V44 R49 L50 F51L30-L47 HydrophobicContact CD1-CB 4.45Å; L30-L47 HydrophobicContact CD2-CD1 4.2Å; I34-L47 HydrophobicContact CD1-CD1 3.43Å; I34-L47 VanDerWaalsContact CD1-CD1 3.43Å; K43-L47 HydrophobicContact CG-CD1 4.44Å; K43-L47 WeakPolarHBondContact O-CG 3.08Å; K43-L47 PolarHBondContact O-N 2.91Å; V44-L47 PolarHBondContact O-N 2.71Å; L47-R49 PolarHBondContact O-N 3.12Å; L47-L50 PolarHBondContact O-N 3.43Å; L47-F51 HydrophobicContact CD2-CD2 4.48Å; L47-F51 HydrophobicContact CD2-CE2 4.22Å; L47-F51 WeakPolarHBondContact O-CB 3.45Å; L47-F51 WeakPolarHBondContact O-CD2 3.37Å; L47-F51 PolarHBondContact O-N 3.17Å
48I92.1Very high90.4Very high10 Ų1071.1 Ų71.15%0.05136%0.363CS..Hα-helixtrans-58-50.7174.6-66-62.8000109.4R27 L30 V44 L50 F51 D52 I59R27-I48 HydrophobicContact CG-CD1 4.21Å; R27-I48 HydrophobicContact CG-CG1 3.97Å; L30-I48 HydrophobicContact CD1-CD1 3.56Å; L30-I48 HydrophobicContact CD1-CG1 3.87Å; V44-I48 WeakPolarHBondContact O-CG1 3.42Å; V44-I48 PolarHBondContact O-N 3.48Å; I48-L50 PolarHBondContact O-N 3.48Å; I48-L50 VanDerWaalsContact O-N 3.11Å; I48-F51 PolarHBondContact O-N 2.97Å; I48-D52 HydrophobicContact CG2-CB 3.87Å; I48-D52 WeakPolarHBondContact O-CB 3.49Å; I48-D52 PolarHBondContact O-N 3.02Å; I48-I59 HydrophobicContact CD1-CD1 3.95Å; I48-I59 HydrophobicContact CD1-CG1 3.9Å
49R89.2Confident90.5Very high199 Ų19967 Ų6775%0.75133%0.334SS*.Hα-helixtrans-57.4-32.7-179.3-177.9178.6177-127.7-1.4113.7H45 E46 L47H45-R49 VanDerWaalsContact O-CB 3.27Å; H45-R49 WeakPolarHBondContact O-CB 3.35Å; H45-R49 PolarHBondContact O-N 2.8Å; E46-R49 PolarHBondContact O-N 3.39Å; L47-R49 PolarHBondContact O-N 3.12Å
50L85.9Confident90.6Very high114 Ų11463.6 Ų63.660%0.59731%0.312SS*.Hα-helixtrans-82.1-35.6-179.4-73.1170000112.9E46 L47 I48 I67E46-L50 WeakPolarHBondContact O-CB 3.36Å; E46-L50 VanDerWaalsContact O-CG 3.23Å; E46-L50 WeakPolarHBondContact O-CG 3.08Å; E46-L50 PolarHBondContact O-N 3.08Å; L47-L50 PolarHBondContact O-N 3.43Å; I48-L50 PolarHBondContact O-N 3.48Å; I48-L50 VanDerWaalsContact O-N 3.11Å; L50-I67 WeakPolarHBondContact O-CD1 3.48Å
51F89.3Confident90.6Very high24 Ų2464 Ų6411%0.10531%0.312CS..Hα-helixtrans-102.5-31.4-171-80.4-103.1000114.5L47 I48 I53 I59 E63 Y64 I67 L68L47-F51 HydrophobicContact CD2-CD2 4.48Å; L47-F51 HydrophobicContact CD2-CE2 4.22Å; L47-F51 WeakPolarHBondContact O-CB 3.45Å; L47-F51 WeakPolarHBondContact O-CD2 3.37Å; L47-F51 PolarHBondContact O-N 3.17Å; I48-F51 PolarHBondContact O-N 2.97Å; F51-I53 PolarHBondContact O-N 3.47Å; F51-I59 HydrophobicContact CB-CB 4.31Å; F51-I59 HydrophobicContact CB-CD1 3.52Å; F51-I59 HydrophobicContact CB-CG1 3.58Å; F51-I59 HydrophobicContact CB-CG2 3.78Å; F51-I59 HydrophobicContact CD1-CG2 4.1Å; F51-I59 HydrophobicContact CG-CD1 4.12Å; F51-I59 HydrophobicContact CG-CG2 4.34Å; F51-E63 WeakPolarHBondContact O-CB 3.4Å; F51-Y64 HydrophobicContact CD1-CD2 4.01Å; F51-Y64 AromaticContact CE1-CD2 3.67Å; F51-Y64 HydrophobicContact CE1-CD2 3.67Å; F51-Y64 HydrophobicContact CE1-CE2 4.11Å; F51-Y64 HydrophobicContact CE1-CG 4.43Å; F51-I67 HydrophobicContact CD1-CB 3.76Å; F51-I67 HydrophobicContact CD1-CG1 3.99Å; F51-I67 HydrophobicContact CD1-CG2 3.87Å; F51-I67 HydrophobicContact CD2-CG2 4.25Å; F51-I67 HydrophobicContact CE1-CB 3.68Å; F51-I67 HydrophobicContact CE1-CG1 4.41Å; F51-I67 HydrophobicContact CE1-CG2 3.53Å; F51-I67 HydrophobicContact CE2-CG2 3.92Å; F51-I67 HydrophobicContact CG-CB 4.41Å; F51-I67 HydrophobicContact CG-CG1 4.32Å; F51-I67 HydrophobicContact CG-CG2 4.23Å; F51-I67 HydrophobicContact CZ-CB 4.24Å; F51-I67 HydrophobicContact CZ-CG2 3.55Å; F51-L68 HydrophobicContact CE1-CD2 4.35Å; F51-L68 HydrophobicContact CE1-CG 4.1Å; F51-L68 HydrophobicContact CZ-CD2 4.08Å; F51-L68 HydrophobicContact CZ-CG 4.34Å
52D91.7Very high90.4Very high14 Ų1457 Ų578%0.07529%0.286CS..  trans-75.688.4179178.56.6000109.9I48 N54 G55 D56 G57 M58 R132I48-D52 HydrophobicContact CG2-CB 3.87Å; I48-D52 WeakPolarHBondContact O-CB 3.49Å; I48-D52 PolarHBondContact O-N 3.02Å; D52-N54 PolarHBondContact OD1-OD1 3.39Å; D52-G55 WeakPolarHBondContact OD1-CA 3.18Å; D52-G55 PolarHBondContact OD1-N 3.35Å; D52-G55 WeakPolarHBondContact OD2-CA 3.47Å; D52-D56 PolarHBondContact OD1-N 2.99Å; D52-D56 VanDerWaalsContact OD1-N 3.16Å; D52-G57 WeakPolarHBondContact OD2-CA 3.09Å; D52-G57 PolarHBondContact OD2-N 3.49Å; D52-M58 WeakPolarHBondContact CB-O 3.26Å; D52-R132 PolarHBondContact O-NH2 2.81Å
53I87.1Confident90.4Very high13 Ų1351 Ų517%0.06726%0.258CS..SBendtrans-78.7-39.4-176.5-64.2172.6000109.3F51 E63 L66 I67 R132 L135F51-I53 PolarHBondContact O-N 3.47Å; I53-E63 WeakPolarHBondContact CA-OE1 3.38Å; I53-E63 HydrophobicContact CB-CG 4.15Å; I53-E63 HydrophobicContact CD1-CG 4.25Å; I53-E63 HydrophobicContact CG1-CG 4.32Å; I53-E63 PolarHBondContact N-OE1 2.98Å; I53-L66 HydrophobicContact CD1-CD2 3.61Å; I53-L66 HydrophobicContact CD1-CG 4.29Å; I53-I67 HydrophobicContact CD1-CD1 4.04Å; I53-I67 HydrophobicContact CD1-CG1 4.23Å; I53-I67 HydrophobicContact CG1-CD1 4.41Å; I53-R132 WeakPolarHBondContact O-CD 3.41Å; I53-R132 WeakPolarHBondContact O-CG 3.29Å; I53-R132 PolarHBondContact O-NE 2.92Å; I53-R132 PolarHBondContact O-NH2 3.28Å; I53-L135 HydrophobicContact CG2-CB 3.65Å
54N88.3Confident90.4Very high65 Ų6546.7 Ų46.735%0.34824%0.238SC..SBendtrans-79.6-22.8-178.274.55.9000113.2D52 D56 E63 T136D52-N54 PolarHBondContact OD1-OD1 3.39Å; N54-D56 PolarHBondContact ND2-OD2 2.81Å; N54-D56 WeakPolarHBondContact OD1-CB 3.17Å; N54-D56 PolarHBondContact OD1-N 3.01Å; N54-D56 PolarHBondContact OD1-OD1 3.12Å; N54-D56 PolarHBondContact OD1-OD2 2.98Å; N54-E63 PolarHBondContact N-OE1 3.17Å; N54-T136 HydrophobicContact CB-CG2 3.61Å
55G88.9Confident90.2Very high44 Ų4446.9 Ų46.945%0.45424%0.239SC..  trans87.619.2178.800000114.7D52 G57D52-G55 WeakPolarHBondContact OD1-CA 3.18Å; D52-G55 PolarHBondContact OD1-N 3.35Å; D52-G55 WeakPolarHBondContact OD2-CA 3.47Å; G55-G57 PolarHBondContact O-N 3.13Å
56D91.8Very high89.9Confident71 Ų7142.1 Ų42.138%0.3822%0.217SC..SBendtrans-79.1-4.7-179.972.119.3000113.4D52 N54 M58D52-D56 PolarHBondContact OD1-N 2.99Å; D52-D56 VanDerWaalsContact OD1-N 3.16Å; N54-D56 PolarHBondContact ND2-OD2 2.81Å; N54-D56 WeakPolarHBondContact OD1-CB 3.17Å; N54-D56 PolarHBondContact OD1-N 3.01Å; N54-D56 PolarHBondContact OD1-OD1 3.12Å; N54-D56 PolarHBondContact OD1-OD2 2.98Å; D56-M58 VanDerWaalsContact C-N 3.33Å; D56-M58 WeakPolarHBondContact OD1-CA 3.28Å; D56-M58 WeakPolarHBondContact OD1-CB 3.48Å; D56-M58 PolarHBondContact OD1-N 3.5Å
57G91.7Very high89.6Confident27 Ų2738.9 Ų38.928%0.27820%0.203SC..SBendtrans85.84.3178.700000114.1D52 G55D52-G57 WeakPolarHBondContact OD2-CA 3.09Å; D52-G57 PolarHBondContact OD2-N 3.49Å; G55-G57 PolarHBondContact O-N 3.13Å
58M93.9Very high89.4Confident62 Ų6239 Ų3931%0.30520%0.204SC..SBendtrans-122.8169.7178-53.4-175.8-66.200109.5Y24 I25 D52 D56Y24-M58 HydrophobicContact CD1-CB 4.35Å; Y24-M58 HydrophobicContact CD1-CE 4.02Å; Y24-M58 HydrophobicContact CE1-CE 4.48Å; Y24-M58 HydrophobicContact CG-CE 4.33Å; I25-M58 WeakPolarHBondContact O-CA 3.46Å; D52-M58 WeakPolarHBondContact CB-O 3.26Å; D56-M58 VanDerWaalsContact C-N 3.33Å; D56-M58 WeakPolarHBondContact OD1-CA 3.28Å; D56-M58 WeakPolarHBondContact OD1-CB 3.48Å; D56-M58 PolarHBondContact OD1-N 3.5Å
59I94.5Very high88.9Confident5 Ų539 Ų393%0.02621%0.206CC..EExtended strand (participates in β ladder)trans-116.2108.8172.6-58164.8000106.9Y24 I25 L30 I48 F51 E63Y24-I59 CarbonylContact C-O 3.36Å; Y24-I59 WeakPolarHBondContact CA-O 3.39Å; I25-I59 HydrophobicContact CB-CB 4.24Å; I25-I59 PolarHBondContact N-O 3.38Å; I25-I59 PolarHBondContact O-N 2.87Å; L30-I59 HydrophobicContact CD1-CD1 4.28Å; I48-I59 HydrophobicContact CD1-CD1 3.95Å; I48-I59 HydrophobicContact CD1-CG1 3.9Å; F51-I59 HydrophobicContact CB-CB 4.31Å; F51-I59 HydrophobicContact CB-CD1 3.52Å; F51-I59 HydrophobicContact CB-CG1 3.58Å; F51-I59 HydrophobicContact CB-CG2 3.78Å; F51-I59 HydrophobicContact CD1-CG2 4.1Å; F51-I59 HydrophobicContact CG-CD1 4.12Å; F51-I59 HydrophobicContact CG-CG2 4.34Å; I59-E63 HydrophobicContact CG2-CB 4.35Å
60S93.2Very high88.4Confident10 Ų1030.4 Ų30.47%0.0718%0.175CC..EExtended strand (participates in β ladder)trans-70.5160.717363.90000111.4G62 E63 Y64S60-G62 VanDerWaalsContact C-N 3.26Å; S60-G62 PolarHBondContact O-N 2.76Å; S60-E63 WeakPolarHBondContact CB-OE2 3.33Å; S60-E63 PolarHBondContact N-OE2 2.81Å; S60-E63 PolarHBondContact O-N 2.84Å; S60-E63 WeakPolarHBondContact OG-CB 3.41Å; S60-E63 VanDerWaalsContact OG-CD 3.25Å; S60-E63 WeakPolarHBondContact OG-CG 3.37Å; S60-E63 PolarHBondContact OG-N 3.01Å; S60-E63 PolarHBondContact OG-OE2 2.84Å; S60-Y64 PolarHBondContact O-N 3.42Å
61F90.9Very high87.8Confident45 Ų4526.8 Ų26.820%0.19716%0.157CC..Hα-helixtrans-61.7-36.5176.3-172.2-122.9000112.6L11 F14 G23 Y64 K65L11-F61 HydrophobicContact CD2-CE2 3.59Å; L11-F61 HydrophobicContact CD2-CZ 3.55Å; F14-F61 AromaticContact CD1-CD2 3.72Å; F14-F61 HydrophobicContact CD1-CD2 3.72Å; F14-F61 HydrophobicContact CD1-CE2 4.24Å; F14-F61 HydrophobicContact CD2-CD2 4.04Å; F14-F61 HydrophobicContact CE1-CB 4.19Å; F14-F61 AromaticContact CE1-CD2 3.84Å; F14-F61 HydrophobicContact CE1-CD2 3.84Å; F14-F61 HydrophobicContact CE1-CG 4.42Å; F14-F61 HydrophobicContact CE2-CB 4.34Å; F14-F61 HydrophobicContact CE2-CD2 4.14Å; F14-F61 AromaticContact CG-CD2 3.84Å; F14-F61 HydrophobicContact CG-CD2 3.84Å; F14-F61 HydrophobicContact CG-CE2 4.26Å; F14-F61 HydrophobicContact CZ-CB 3.9Å; F14-F61 HydrophobicContact CZ-CD2 4.05Å; F14-F61 HydrophobicContact CZ-CG 4.48Å; G23-F61 PolarHBondContact O-N 3.26Å; F61-Y64 PolarHBondContact O-N 3.16Å; F61-K65 HydrophobicContact CD1-CD 3.97Å; F61-K65 HydrophobicContact CE1-CD 3.6Å; F61-K65 HydrophobicContact CE1-CG 4.46Å; F61-K65 HydrophobicContact CE2-CD 4.39Å; F61-K65 HydrophobicContact CE2-CG 4.42Å; F61-K65 HydrophobicContact CZ-CD 3.84Å; F61-K65 HydrophobicContact CZ-CG 4.31Å; F61-K65 WeakPolarHBondContact O-CG 3.46Å; F61-K65 PolarHBondContact O-N 2.69Å
62G87.5Confident87Confident0 Ų027.7 Ų27.70%017%0.174CC..Hα-helixtrans-61.4-46.2174.600000112.8S60 K65 L66 A139S60-G62 VanDerWaalsContact C-N 3.26Å; S60-G62 PolarHBondContact O-N 2.76Å; G62-K65 PolarHBondContact O-N 2.89Å; G62-L66 WeakPolarHBondContact O-CB 3.46Å; G62-L66 PolarHBondContact O-N 3.13Å; G62-A139 WeakPolarHBondContact CA-O 3.16Å
63E90Very high86.1Confident2 Ų232 Ų321%0.00919%0.194CC..Hα-helixtrans-63.6-44.5176.3-73.5168.7139.600112.1F51 I53 N54 I59 S60 K65 L66 I67 A139F51-E63 WeakPolarHBondContact O-CB 3.4Å; I53-E63 WeakPolarHBondContact CA-OE1 3.38Å; I53-E63 HydrophobicContact CB-CG 4.15Å; I53-E63 HydrophobicContact CD1-CG 4.25Å; I53-E63 HydrophobicContact CG1-CG 4.32Å; I53-E63 PolarHBondContact N-OE1 2.98Å; N54-E63 PolarHBondContact N-OE1 3.17Å; I59-E63 HydrophobicContact CG2-CB 4.35Å; S60-E63 WeakPolarHBondContact CB-OE2 3.33Å; S60-E63 PolarHBondContact N-OE2 2.81Å; S60-E63 PolarHBondContact O-N 2.84Å; S60-E63 WeakPolarHBondContact OG-CB 3.41Å; S60-E63 VanDerWaalsContact OG-CD 3.25Å; S60-E63 WeakPolarHBondContact OG-CG 3.37Å; S60-E63 PolarHBondContact OG-N 3.01Å; S60-E63 PolarHBondContact OG-OE2 2.84Å; E63-K65 VanDerWaalsContact C-N 3.32Å; E63-K65 PolarHBondContact O-N 3.16Å; E63-L66 PolarHBondContact O-N 2.91Å; E63-I67 WeakPolarHBondContact O-CG1 3.39Å; E63-I67 PolarHBondContact O-N 3.32Å; E63-A139 HydrophobicContact CG-CB 3.77Å
64Y89.5Confident85.6Confident21 Ų2133.4 Ų33.48%0.08220%0.204CC..Hα-helixtrans-56.1-47.4175.2-172.3-101.5000111.8L10 F14 F51 S60 F61 L68L10-Y64 HydrophobicContact CB-CE1 4.39Å; L10-Y64 WeakPolarHBondContact O-CE1 3.32Å; L10-Y64 PolarHBondContact O-OH 3.01Å; F14-Y64 HydrophobicContact CB-CD1 4.08Å; F14-Y64 HydrophobicContact CB-CE1 3.87Å; F14-Y64 AromaticContact CD2-CD1 3.72Å; F14-Y64 HydrophobicContact CD2-CD1 3.72Å; F14-Y64 AromaticContact CD2-CD2 3.94Å; F14-Y64 HydrophobicContact CD2-CD2 3.94Å; F14-Y64 HydrophobicContact CD2-CE1 4.26Å; F14-Y64 HydrophobicContact CD2-CE2 4.46Å; F14-Y64 AromaticContact CD2-CG 3.53Å; F14-Y64 HydrophobicContact CD2-CG 3.53Å; F14-Y64 HydrophobicContact CE2-CG 4.17Å; F14-Y64 HydrophobicContact CG-CD1 4.27Å; F14-Y64 HydrophobicContact CG-CG 4.49Å; F51-Y64 HydrophobicContact CD1-CD2 4.01Å; F51-Y64 AromaticContact CE1-CD2 3.67Å; F51-Y64 HydrophobicContact CE1-CD2 3.67Å; F51-Y64 HydrophobicContact CE1-CE2 4.11Å; F51-Y64 HydrophobicContact CE1-CG 4.43Å; S60-Y64 PolarHBondContact O-N 3.42Å; F61-Y64 PolarHBondContact O-N 3.16Å; Y64-L68 HydrophobicContact CD1-CD1 3.74Å; Y64-L68 HydrophobicContact CD2-CD1 4.13Å; Y64-L68 HydrophobicContact CE1-CD1 3.26Å; Y64-L68 HydrophobicContact CE2-CD1 3.69Å; Y64-L68 HydrophobicContact CG-CD1 4.15Å; Y64-L68 WeakPolarHBondContact O-CB 3.4Å; Y64-L68 VanDerWaalsContact O-CG 3.29Å; Y64-L68 WeakPolarHBondContact O-CG 3.37Å; Y64-L68 PolarHBondContact O-N 2.82Å
65K87.3Confident85.2Confident3 Ų332.5 Ų32.51%0.01320%0.199CC..Hα-helixtrans-63.9-42.4176.4-75.2176.368.6-172.50112.2F61 G62 E63 L68 G69 L70 T71 A142 S145 V147F61-K65 HydrophobicContact CD1-CD 3.97Å; F61-K65 HydrophobicContact CE1-CD 3.6Å; F61-K65 HydrophobicContact CE1-CG 4.46Å; F61-K65 HydrophobicContact CE2-CD 4.39Å; F61-K65 HydrophobicContact CE2-CG 4.42Å; F61-K65 HydrophobicContact CZ-CD 3.84Å; F61-K65 HydrophobicContact CZ-CG 4.31Å; F61-K65 WeakPolarHBondContact O-CG 3.46Å; F61-K65 PolarHBondContact O-N 2.69Å; G62-K65 PolarHBondContact O-N 2.89Å; E63-K65 VanDerWaalsContact C-N 3.32Å; E63-K65 PolarHBondContact O-N 3.16Å; K65-L68 PolarHBondContact O-N 3.43Å; K65-G69 PolarHBondContact O-N 2.91Å; K65-G69 VanDerWaalsContact O-N 3.08Å; K65-L70 HydrophobicContact CB-CB 3.96Å; K65-L70 HydrophobicContact CG-CB 4.06Å; K65-L70 HydrophobicContact CG-CD1 4.18Å; K65-L70 PolarHBondContact O-N 3.02Å; K65-T71 HydrophobicContact CB-CG2 3.83Å; K65-A142 PolarHBondContact NZ-O 3.26Å; K65-S145 PolarHBondContact NZ-O 2.79Å; K65-V147 HydrophobicContact CD-CG2 4.34Å
66L85.3Confident84.9Confident0 Ų035 Ų350%020%0.202CC..Hα-helixtrans-63.4-49-177.6178.956.7000111.6I53 G62 E63 L68 G69 T71 L135 V138 A139I53-L66 HydrophobicContact CD1-CD2 3.61Å; I53-L66 HydrophobicContact CD1-CG 4.29Å; G62-L66 WeakPolarHBondContact O-CB 3.46Å; G62-L66 PolarHBondContact O-N 3.13Å; E63-L66 PolarHBondContact O-N 2.91Å; L66-L68 VanDerWaalsContact C-N 3.32Å; L66-L68 PolarHBondContact O-N 3.17Å; L66-G69 PolarHBondContact O-N 2.9Å; L66-G69 VanDerWaalsContact O-N 3.12Å; L66-T71 HydrophobicContact CB-CG2 4.4Å; L66-L135 HydrophobicContact CD2-CD2 4.43Å; L66-V138 HydrophobicContact CD1-CG1 3.58Å; L66-V138 HydrophobicContact CD2-CB 4.13Å; L66-V138 HydrophobicContact CD2-CG1 3.86Å; L66-V138 HydrophobicContact CG-CG1 4.38Å; L66-A139 HydrophobicContact CD2-CB 3.91Å
67I84.3Confident84.4Confident43 Ų4332.3 Ų32.322%0.22119%0.189CC..Hα-helixtrans-64.5-38.4-179.7-65.6-66.7000111.5L50 F51 I53 E63 G69 I75L50-I67 WeakPolarHBondContact O-CD1 3.48Å; F51-I67 HydrophobicContact CD1-CB 3.76Å; F51-I67 HydrophobicContact CD1-CG1 3.99Å; F51-I67 HydrophobicContact CD1-CG2 3.87Å; F51-I67 HydrophobicContact CD2-CG2 4.25Å; F51-I67 HydrophobicContact CE1-CB 3.68Å; F51-I67 HydrophobicContact CE1-CG1 4.41Å; F51-I67 HydrophobicContact CE1-CG2 3.53Å; F51-I67 HydrophobicContact CE2-CG2 3.92Å; F51-I67 HydrophobicContact CG-CB 4.41Å; F51-I67 HydrophobicContact CG-CG1 4.32Å; F51-I67 HydrophobicContact CG-CG2 4.23Å; F51-I67 HydrophobicContact CZ-CB 4.24Å; F51-I67 HydrophobicContact CZ-CG2 3.55Å; I53-I67 HydrophobicContact CD1-CD1 4.04Å; I53-I67 HydrophobicContact CD1-CG1 4.23Å; I53-I67 HydrophobicContact CG1-CD1 4.41Å; E63-I67 WeakPolarHBondContact O-CG1 3.39Å; E63-I67 PolarHBondContact O-N 3.32Å; I67-G69 PolarHBondContact O-N 2.76Å; I67-I75 HydrophobicContact CD1-CD1 3.62Å
68L84.9Confident84Confident48 Ų4833.9 Ų33.925%0.25119%0.187SC..THydrogen-bonded Turntrans-80.90.7177.7-63.5178.3000114L10 F51 Y64 K65 L66 L70L10-L68 HydrophobicContact CB-CD1 4.16Å; L10-L68 HydrophobicContact CD1-CB 4.39Å; L10-L68 HydrophobicContact CD1-CD1 4.11Å; L10-L68 HydrophobicContact CD2-CD1 3.72Å; L10-L68 HydrophobicContact CD2-CD2 4.37Å; L10-L68 HydrophobicContact CG-CD1 4.19Å; F51-L68 HydrophobicContact CE1-CD2 4.35Å; F51-L68 HydrophobicContact CE1-CG 4.1Å; F51-L68 HydrophobicContact CZ-CD2 4.08Å; F51-L68 HydrophobicContact CZ-CG 4.34Å; Y64-L68 HydrophobicContact CD1-CD1 3.74Å; Y64-L68 HydrophobicContact CD2-CD1 4.13Å; Y64-L68 HydrophobicContact CE1-CD1 3.26Å; Y64-L68 HydrophobicContact CE2-CD1 3.69Å; Y64-L68 HydrophobicContact CG-CD1 4.15Å; Y64-L68 WeakPolarHBondContact O-CB 3.4Å; Y64-L68 VanDerWaalsContact O-CG 3.29Å; Y64-L68 WeakPolarHBondContact O-CG 3.37Å; Y64-L68 PolarHBondContact O-N 2.82Å; K65-L68 PolarHBondContact O-N 3.43Å; L66-L68 VanDerWaalsContact C-N 3.32Å; L66-L68 PolarHBondContact O-N 3.17Å; L68-L70 VanDerWaalsContact C-N 3.29Å; L68-L70 HydrophobicContact CB-CD1 4.19Å; L68-L70 HydrophobicContact CB-CG 3.89Å; L68-L70 HydrophobicContact CD1-CD1 4.45Å; L68-L70 PolarHBondContact O-N 2.88Å
69G81.1Confident83.7Confident9 Ų931.8 Ų31.89%0.09318%0.178CC..THydrogen-bonded Turntrans66.529.4179.300000113.8M1 K65 L66 I67 T71M1-G69 VanDerWaalsContact CE-O 3.26Å; M1-G69 WeakPolarHBondContact CE-O 3.44Å; K65-G69 PolarHBondContact O-N 2.91Å; K65-G69 VanDerWaalsContact O-N 3.08Å; L66-G69 PolarHBondContact O-N 2.9Å; L66-G69 VanDerWaalsContact O-N 3.12Å; I67-G69 PolarHBondContact O-N 2.76Å; G69-T71 VanDerWaalsContact C-N 3.28Å
70L79.7Confident83.4Confident18 Ų1838.5 Ų38.59%0.09420%0.203CC..THydrogen-bonded Turntrans-84.70.4179.2-57.6-176.9000113.3P2 V7 L10 L11 K65 L68P2-L70 HydrophobicContact CG-CD2 4.05Å; V7-L70 HydrophobicContact CB-CD2 4.31Å; V7-L70 HydrophobicContact CG1-CD2 4.1Å; V7-L70 HydrophobicContact CG2-CD2 3.73Å; L10-L70 HydrophobicContact CB-CD1 4.28Å; L10-L70 HydrophobicContact CD1-CD1 4.36Å; L10-L70 HydrophobicContact CD1-CD2 4.03Å; L11-L70 HydrophobicContact CD2-CD1 4.08Å; K65-L70 HydrophobicContact CB-CB 3.96Å; K65-L70 HydrophobicContact CG-CB 4.06Å; K65-L70 HydrophobicContact CG-CD1 4.18Å; K65-L70 PolarHBondContact O-N 3.02Å; L68-L70 VanDerWaalsContact C-N 3.29Å; L68-L70 HydrophobicContact CB-CD1 4.19Å; L68-L70 HydrophobicContact CB-CG 3.89Å; L68-L70 HydrophobicContact CD1-CD1 4.45Å; L68-L70 PolarHBondContact O-N 2.88Å
71T74Confident83.1Confident38 Ų3840.5 Ų40.523%0.23321%0.213CC..THydrogen-bonded Turntrans-96.912.1-175.862.70000112.9K65 L66 G69 Q73 A142K65-T71 HydrophobicContact CB-CG2 3.83Å; L66-T71 HydrophobicContact CB-CG2 4.4Å; G69-T71 VanDerWaalsContact C-N 3.28Å; T71-Q73 PolarHBondContact O-N 3.25Å; T71-Q73 PolarHBondContact OG1-O 3.28Å; T71-A142 HydrophobicContact CG2-CB 3.32Å
72G72.2Confident83.1Confident44 Ų4438.8 Ų38.845%0.45421%0.205SC..SBendtrans82.9-22.4-17200000113.7M1M1-G72 WeakPolarHBondContact CE-O 3.35Å
73Q72.4Confident83.4Confident105 Ų10547.1 Ų47.149%0.49124%0.237SC..SBendtrans-131.6130.9178.8-66.1-69.28.400109.8T71 A77 W78T71-Q73 PolarHBondContact O-N 3.25Å; T71-Q73 PolarHBondContact OG1-O 3.28Å; Q73-A77 HydrophobicContact CB-CB 4.05Å; Q73-W78 HydrophobicContact CB-CZ2 4.34Å
74S77.2Confident83.4Confident41 Ų4154.1 Ų54.129%0.28727%0.267SS..  trans-72.1161.8175.864.50000111.4D76 A77 W78S74-D76 PolarHBondContact O-N 3.5Å; S74-D76 VanDerWaalsContact O-N 3.16Å; S74-A77 WeakPolarHBondContact O-CA 3.28Å; S74-A77 VanDerWaalsContact O-CB 3.32Å; S74-A77 WeakPolarHBondContact O-CB 3.35Å; S74-A77 PolarHBondContact O-N 2.99Å; S74-A77 PolarHBondContact OG-N 3.36Å; S74-W78 VanDerWaalsContact O-CD1 3.3Å; S74-W78 PolarHBondContact O-N 3.35Å
75I79.2Confident83.4Confident46 Ų4653.6 Ų53.624%0.23627%0.265CS..Hα-helixtrans-50.4-38.3169.3-169.3161.9000111.6I67 A77 W78 T79 L135I67-I75 HydrophobicContact CD1-CD1 3.62Å; I75-A77 VanDerWaalsContact C-N 3.3Å; I75-A77 PolarHBondContact O-N 3.21Å; I75-W78 CarbonylContact O-C 3.58Å; I75-W78 PolarHBondContact O-N 2.84Å; I75-W78 VanDerWaalsContact O-N 3.13Å; I75-T79 PolarHBondContact O-N 3.26Å; I75-T79 PolarHBondContact O-OG1 2.76Å; I75-L135 HydrophobicContact CD1-CD1 3.8Å; I75-L135 HydrophobicContact CG1-CD1 3.94Å; I75-L135 HydrophobicContact CG1-CD2 4.21Å
76D81.5Confident83.7Confident96 Ų9654.5 Ų54.551%0.51327%0.27SS..Hα-helixtrans-61.6-35.8175.5-61.2-38.8000113.2S74 R80S74-D76 PolarHBondContact O-N 3.5Å; S74-D76 VanDerWaalsContact O-N 3.16Å; D76-R80 WeakPolarHBondContact O-CB 3.4Å; D76-R80 VanDerWaalsContact O-CG 3.28Å; D76-R80 WeakPolarHBondContact O-CG 3.36Å; D76-R80 PolarHBondContact O-N 3.5Å
77A81.4Confident84Confident15 Ų1561.5 Ų61.512%0.12430%0.301CS..Hα-helixtrans-66.7-41.5176.100000110.9Q73 S74 I75 R80 L81Q73-A77 HydrophobicContact CB-CB 4.05Å; S74-A77 WeakPolarHBondContact O-CA 3.28Å; S74-A77 VanDerWaalsContact O-CB 3.32Å; S74-A77 WeakPolarHBondContact O-CB 3.35Å; S74-A77 PolarHBondContact O-N 2.99Å; S74-A77 PolarHBondContact OG-N 3.36Å; I75-A77 VanDerWaalsContact C-N 3.3Å; I75-A77 PolarHBondContact O-N 3.21Å; A77-R80 PolarHBondContact O-N 3.43Å; A77-L81 PolarHBondContact O-N 3.2Å
78W85.2Confident84.4Confident60 Ų6063.8 Ų63.823%0.22731%0.314CS..Hα-helixtrans-67.7-41174.8-68.8110.7000112.6Q73 S74 I75 R80 L81 F82 F134 L135 V138Q73-W78 HydrophobicContact CB-CZ2 4.34Å; S74-W78 VanDerWaalsContact O-CD1 3.3Å; S74-W78 PolarHBondContact O-N 3.35Å; I75-W78 CarbonylContact O-C 3.58Å; I75-W78 PolarHBondContact O-N 2.84Å; I75-W78 VanDerWaalsContact O-N 3.13Å; W78-R80 VanDerWaalsContact C-N 3.32Å; W78-R80 PolarHBondContact O-N 2.94Å; W78-L81 HydrophobicContact CE3-CD2 3.8Å; W78-L81 HydrophobicContact CZ3-CD2 3.64Å; W78-L81 WeakPolarHBondContact O-CB 3.43Å; W78-L81 PolarHBondContact O-N 3.07Å; W78-L81 VanDerWaalsContact O-N 3.16Å; W78-F82 PolarHBondContact O-N 2.83Å; W78-F134 HydrophobicContact CB-CE1 4.38Å; W78-F134 HydrophobicContact CE3-CE1 4.08Å; W78-F134 AromaticContact CE3-CZ 3.97Å; W78-F134 HydrophobicContact CE3-CZ 3.97Å; W78-F134 HydrophobicContact CZ3-CZ 4.38Å; W78-L135 HydrophobicContact CB-CD2 3.63Å; W78-L135 HydrophobicContact CG-CD2 4.43Å; W78-V138 HydrophobicContact CD2-CB 4.32Å; W78-V138 HydrophobicContact CD2-CG1 3.63Å; W78-V138 HydrophobicContact CD2-CG2 3.69Å; W78-V138 HydrophobicContact CE3-CG1 4.35Å; W78-V138 HydrophobicContact CE3-CG2 3.62Å; W78-V138 HydrophobicContact CG-CG1 3.82Å; W78-V138 HydrophobicContact CG-CG2 4.19Å; W78-V138 HydrophobicContact CH2-CG1 4.47Å; W78-V138 HydrophobicContact CH2-CG2 4.33Å; W78-V138 HydrophobicContact CZ2-CG1 3.77Å; W78-V138 HydrophobicContact CZ2-CG2 4.4Å; W78-V138 HydrophobicContact CZ3-CG2 3.96Å; W78-V138 VanDerWaalsContact NE1-CG1 3.29Å
79T87.4Confident84.8Confident19 Ų1964.3 Ų64.312%0.11733%0.33CS..Hα-helixtrans-62.3-38172.7-57.80000111.9I75 F82 R83 I131I75-T79 PolarHBondContact O-N 3.26Å; I75-T79 PolarHBondContact O-OG1 2.76Å; T79-F82 PolarHBondContact O-N 2.93Å; T79-R83 WeakPolarHBondContact O-CG 3.03Å; T79-R83 PolarHBondContact O-N 2.86Å; T79-I131 HydrophobicContact CG2-CD1 3.76Å
80R87.5Confident85.5Confident146 Ų14666.3 Ų66.355%0.55134%0.343SS*.Hα-helixtrans-66.2-39.4172.8-78.1-173.2-61-94.31.8111.9D76 A77 W78 K84D76-R80 WeakPolarHBondContact O-CB 3.4Å; D76-R80 VanDerWaalsContact O-CG 3.28Å; D76-R80 WeakPolarHBondContact O-CG 3.36Å; D76-R80 PolarHBondContact O-N 3.5Å; A77-R80 PolarHBondContact O-N 3.43Å; W78-R80 VanDerWaalsContact C-N 3.32Å; W78-R80 PolarHBondContact O-N 2.94Å; R80-K84 WeakPolarHBondContact O-CB 3.19Å; R80-K84 PolarHBondContact O-N 2.94Å
81L86.9Confident86.2Confident52 Ų5267.3 Ų67.327%0.27236%0.358SS..Hα-helixtrans-63.3-46.5175.1-175.663000110.7A77 W78 R83 K84 L85 L101 F134A77-L81 PolarHBondContact O-N 3.2Å; W78-L81 HydrophobicContact CE3-CD2 3.8Å; W78-L81 HydrophobicContact CZ3-CD2 3.64Å; W78-L81 WeakPolarHBondContact O-CB 3.43Å; W78-L81 PolarHBondContact O-N 3.07Å; W78-L81 VanDerWaalsContact O-N 3.16Å; L81-R83 PolarHBondContact O-N 3Å; L81-K84 WeakPolarHBondContact O-CA 3.26Å; L81-K84 WeakPolarHBondContact O-CB 3.45Å; L81-K84 PolarHBondContact O-N 3.04Å; L81-L85 HydrophobicContact CD1-CG 4.5Å; L81-L85 HydrophobicContact CG-CD1 4.19Å; L81-L85 WeakPolarHBondContact O-CG 3.49Å; L81-L85 PolarHBondContact O-N 2.85Å; L81-L101 HydrophobicContact CD1-CD2 4Å; L81-L101 HydrophobicContact CD2-CD2 4.16Å; L81-L101 HydrophobicContact CG-CD2 4.3Å; L81-F134 HydrophobicContact CD2-CZ 4.3Å
82F91.2Very high87.2Confident9 Ų966.6 Ų66.64%0.03935%0.353CS..Hα-helixtrans-52.6-54.9175.1-176.4-82.3000111.4W78 T79 K84 L85 D86 G91 L93 I131 F134W78-F82 PolarHBondContact O-N 2.83Å; T79-F82 PolarHBondContact O-N 2.93Å; F82-K84 PolarHBondContact O-N 3.44Å; F82-L85 PolarHBondContact O-N 3.16Å; F82-D86 HydrophobicContact CE1-CB 4.38Å; F82-D86 WeakPolarHBondContact O-CB 3.35Å; F82-D86 PolarHBondContact O-N 2.94Å; F82-G91 VanDerWaalsContact CZ-O 3.32Å; F82-G91 WeakPolarHBondContact CZ-O 3.48Å; F82-L93 HydrophobicContact CD2-CD1 3.6Å; F82-L93 HydrophobicContact CD2-CD2 4.47Å; F82-L93 HydrophobicContact CD2-CG 3.82Å; F82-L93 HydrophobicContact CE2-CD1 3.79Å; F82-L93 HydrophobicContact CE2-CD2 4.36Å; F82-L93 HydrophobicContact CE2-CG 3.54Å; F82-L93 HydrophobicContact CG-CD1 4.37Å; F82-L93 HydrophobicContact CZ-CD2 4.49Å; F82-L93 HydrophobicContact CZ-CG 4Å; F82-I131 HydrophobicContact CD2-CB 4.27Å; F82-I131 HydrophobicContact CD2-CG1 4.27Å; F82-I131 HydrophobicContact CE1-CB 4.37Å; F82-I131 HydrophobicContact CE2-CB 4.07Å; F82-I131 HydrophobicContact CG-CB 4.48Å; F82-I131 HydrophobicContact CG-CG1 4.25Å; F82-I131 HydrophobicContact CZ-CB 4.13Å; F82-F134 HydrophobicContact CB-CD1 4.22Å; F82-F134 HydrophobicContact CB-CE1 4.28Å; F82-F134 HydrophobicContact CD2-CB 3.86Å; F82-F134 AromaticContact CD2-CD1 3.83Å; F82-F134 HydrophobicContact CD2-CD1 3.83Å; F82-F134 AromaticContact CD2-CG 3.84Å; F82-F134 HydrophobicContact CD2-CG 3.84Å; F82-F134 HydrophobicContact CE2-CB 4.07Å; F82-F134 HydrophobicContact CE2-CG 4.49Å
83R92.8Very high88.2Confident175 Ų17564.5 Ų64.566%0.6633%0.332SS*.Hα-helixtrans-61.6-27.7178-70.4179.1-174140.63.5113.7T79 L81 L85T79-R83 WeakPolarHBondContact O-CG 3.03Å; T79-R83 PolarHBondContact O-N 2.86Å; L81-R83 PolarHBondContact O-N 3Å; R83-L85 VanDerWaalsContact C-N 3.34Å
84K90.2Very high89.2Confident148 Ų14861.1 Ų61.164%0.64332%0.317SS*.Hα-helixtrans-74.5-29.5176.2-177.3179.3176-174.60111.4R80 L81 F82 K87R80-K84 WeakPolarHBondContact O-CB 3.19Å; R80-K84 PolarHBondContact O-N 2.94Å; L81-K84 WeakPolarHBondContact O-CA 3.26Å; L81-K84 WeakPolarHBondContact O-CB 3.45Å; L81-K84 PolarHBondContact O-N 3.04Å; F82-K84 PolarHBondContact O-N 3.44Å; K84-K87 VanDerWaalsContact O-CE 3.28Å; K84-K87 WeakPolarHBondContact O-CE 3.35Å; K84-K87 PolarHBondContact O-NZ 3.48Å
85L90.5Very high89.9Confident10 Ų1060.6 Ų60.65%0.05231%0.31CS..Hα-helixtrans-85.6-37.1-179.5-67171.5000113L81 F82 R83 K87 L93 L101L81-L85 HydrophobicContact CD1-CG 4.5Å; L81-L85 HydrophobicContact CG-CD1 4.19Å; L81-L85 WeakPolarHBondContact O-CG 3.49Å; L81-L85 PolarHBondContact O-N 2.85Å; F82-L85 PolarHBondContact O-N 3.16Å; R83-L85 VanDerWaalsContact C-N 3.34Å; L85-K87 WeakPolarHBondContact O-CG 3.47Å; L85-K87 PolarHBondContact O-N 3.43Å; L85-L93 HydrophobicContact CB-CD1 4.22Å; L85-L93 HydrophobicContact CB-CD2 3.55Å; L85-L93 HydrophobicContact CD1-CD1 3.92Å; L85-L101 HydrophobicContact CD1-CD1 3.55Å; L85-L101 HydrophobicContact CD1-CD2 3.65Å; L85-L101 HydrophobicContact CD1-CG 3.47Å; L85-L101 VanDerWaalsContact CD1-CG 3.47Å; L85-L101 HydrophobicContact CD2-CD2 3.62Å; L85-L101 HydrophobicContact CD2-CG 3.54Å; L85-L101 HydrophobicContact CG-CD2 4.08Å; L85-L101 HydrophobicContact CG-CG 4.09Å
86D94Very high90.4Very high22 Ų2264.3 Ų64.312%0.11833%0.326CS..  trans-65.283.6173.61809.5000108.8F82 G89 S90 G91 L93 E97F82-D86 HydrophobicContact CE1-CB 4.38Å; F82-D86 WeakPolarHBondContact O-CB 3.35Å; F82-D86 PolarHBondContact O-N 2.94Å; D86-G89 WeakPolarHBondContact OD1-CA 3.48Å; D86-G89 PolarHBondContact OD1-N 2.83Å; D86-S90 PolarHBondContact OD1-N 3.36Å; D86-S90 PolarHBondContact OD1-OG 3.11Å; D86-G91 WeakPolarHBondContact OD2-CA 3.43Å; D86-G91 PolarHBondContact OD2-N 3.48Å; D86-L93 HydrophobicContact CB-CD2 3.77Å; D86-L93 VanDerWaalsContact N-CD2 3.27Å; D86-E97 WeakPolarHBondContact CA-OE1 3.46Å
87K90.8Very high90.9Very high147 Ų14760.3 Ų60.364%0.63930%0.304SS*.SBendtrans-78.2-33.6-172.7-67.7-45.6-172-176.70110.8K84 L85 G89 E97K84-K87 VanDerWaalsContact O-CE 3.28Å; K84-K87 WeakPolarHBondContact O-CE 3.35Å; K84-K87 PolarHBondContact O-NZ 3.48Å; L85-K87 WeakPolarHBondContact O-CG 3.47Å; L85-K87 PolarHBondContact O-N 3.43Å; K87-G89 VanDerWaalsContact C-N 3.32Å; K87-E97 PolarHBondContact N-OE1 3.2Å
88D93.7Very high91.2Very high92 Ų9259.9 Ų59.949%0.49230%0.299SS..SBendtrans-82.4-13.8178.174.10.9000112.5S90 E97 R128D88-S90 VanDerWaalsContact C-N 3.3Å; D88-S90 WeakPolarHBondContact OD1-CB 3.41Å; D88-S90 PolarHBondContact OD1-N 2.87Å; D88-S90 PolarHBondContact OD1-OG 3.35Å; D88-E97 PolarHBondContact N-OE1 2.96Å; D88-R128 IonicContact OD2-NH1 3.58Å
89G92.6Very high91.3Very high58 Ų5857 Ų5760%0.59829%0.289SS*.  trans73.923.4179.300000112.6D86 K87 G91D86-G89 WeakPolarHBondContact OD1-CA 3.48Å; D86-G89 PolarHBondContact OD1-N 2.83Å; K87-G89 VanDerWaalsContact C-N 3.32Å; G89-G91 PolarHBondContact O-N 3.38Å
90S95Very high91.1Very high52 Ų5258.5 Ų58.536%0.36430%0.3SS..SBendtrans-69-15.9-179.660.30000113.4D86 D88 T92 R128D86-S90 PolarHBondContact OD1-N 3.36Å; D86-S90 PolarHBondContact OD1-OG 3.11Å; D88-S90 VanDerWaalsContact C-N 3.3Å; D88-S90 WeakPolarHBondContact OD1-CB 3.41Å; D88-S90 PolarHBondContact OD1-N 2.87Å; D88-S90 PolarHBondContact OD1-OG 3.35Å; S90-T92 PolarHBondContact OG-N 3.44Å; S90-T92 PolarHBondContact OG-O 3.05Å; S90-T92 PolarHBondContact OG-OG1 3.1Å; S90-R128 PolarHBondContact OG-NH1 3.27Å; S90-R128 VanDerWaalsContact OG-NH1 3.15Å
91G93.8Very high90.7Very high39 Ų3954.9 Ų54.940%0.40229%0.291SS..SBendtrans79.110.3-171.300000113.1F82 D86 G89F82-G91 VanDerWaalsContact CZ-O 3.32Å; F82-G91 WeakPolarHBondContact CZ-O 3.48Å; D86-G91 WeakPolarHBondContact OD2-CA 3.43Å; D86-G91 PolarHBondContact OD2-N 3.48Å; G89-G91 PolarHBondContact O-N 3.38Å
92T96Very high90.4Very high23 Ų2357.3 Ų57.314%0.14130%0.3CS..EExtended strand (participates in β ladder)trans-139.1156.7-178.457.40000109.2S90 R128 L129 N130S90-T92 PolarHBondContact OG-N 3.44Å; S90-T92 PolarHBondContact OG-O 3.05Å; S90-T92 PolarHBondContact OG-OG1 3.1Å; T92-R128 VanDerWaalsContact OG1-CD 3.26Å; T92-R128 WeakPolarHBondContact OG1-CD 3.3Å; T92-R128 PolarHBondContact OG1-NH1 3.12Å; T92-L129 CarbonylContact C-O 3.52Å; T92-L129 WeakPolarHBondContact CA-O 3.36Å; T92-N130 HydrophobicContact CG2-CB 4.36Å
93L93.8Very high89.5Confident0 Ų060.7 Ų60.70%034%0.337CS..EExtended strand (participates in β ladder)trans-108.9118.5174.8-60179.8000110.4F82 L85 D86 E97 I98 R128 L129 F134F82-L93 HydrophobicContact CD2-CD1 3.6Å; F82-L93 HydrophobicContact CD2-CD2 4.47Å; F82-L93 HydrophobicContact CD2-CG 3.82Å; F82-L93 HydrophobicContact CE2-CD1 3.79Å; F82-L93 HydrophobicContact CE2-CD2 4.36Å; F82-L93 HydrophobicContact CE2-CG 3.54Å; F82-L93 HydrophobicContact CG-CD1 4.37Å; F82-L93 HydrophobicContact CZ-CD2 4.49Å; F82-L93 HydrophobicContact CZ-CG 4Å; L85-L93 HydrophobicContact CB-CD1 4.22Å; L85-L93 HydrophobicContact CB-CD2 3.55Å; L85-L93 HydrophobicContact CD1-CD1 3.92Å; D86-L93 HydrophobicContact CB-CD2 3.77Å; D86-L93 VanDerWaalsContact N-CD2 3.27Å; L93-E97 WeakPolarHBondContact CA-OE2 3.32Å; L93-E97 HydrophobicContact CD2-CB 4.35Å; L93-I98 HydrophobicContact CB-CD1 4.18Å; L93-I98 HydrophobicContact CB-CG1 3.75Å; L93-I98 HydrophobicContact CD1-CG1 4.42Å; L93-R128 CarbonylContact O-C 3.49Å; L93-R128 WeakPolarHBondContact O-CA 3.3Å; L93-L129 PolarHBondContact N-O 3.19Å; L93-L129 PolarHBondContact O-N 3.15Å; L93-F134 HydrophobicContact CD1-CD2 4.01Å; L93-F134 HydrophobicContact CD1-CE2 4.36Å; L93-F134 HydrophobicContact CD1-CG 4.42Å
94D93.9Very high88.2Confident34 Ų3454.3 Ų54.318%0.18233%0.326CS..  trans-82.5173172.281.332.7000112.7H96 E97 I98 R128D94-H96 VanDerWaalsContact C-N 3.27Å; D94-H96 PolarHBondContact O-N 3.34Å; D94-H96 WeakPolarHBondContact OD1-CA 3.21Å; D94-H96 WeakPolarHBondContact OD1-CB 3.5Å; D94-H96 PolarHBondContact OD1-N 3.37Å; D94-H96 IonicContact OD1-ND1 3.87Å; D94-E97 PolarHBondContact N-OE2 3.38Å; D94-E97 PolarHBondContact O-N 3.06Å; D94-E97 PolarHBondContact OD1-N 3.48Å; D94-I98 VanDerWaalsContact O-CG1 3.29Å; D94-I98 WeakPolarHBondContact O-CG1 3.23Å; D94-I98 PolarHBondContact O-N 3.19Å; D94-R128 HydrophobicContact CB-CG 4.35Å
95F91.4Very high87.5Confident30 Ų3051.1 Ų51.113%0.13232%0.315CS..Hα-helixtrans-52.2-42179.5176.1-94.8000113.8C99 R111 V114 R115 M118F95-C99 VanDerWaalsContact CE1-SG 3.56Å; F95-C99 WeakPolarHBondContact CZ-SG 3.34Å; F95-C99 WeakPolarHBondContact O-CB 3.17Å; F95-C99 PolarHBondContact O-N 3.31Å; F95-C99 PolarHBondContact O-SG 2.87Å; F95-R111 HydrophobicContact CE1-CG 4.35Å; F95-R111 HydrophobicContact CZ-CB 3.8Å; F95-R111 HydrophobicContact CZ-CG 3.82Å; F95-V114 HydrophobicContact CD2-CB 4.32Å; F95-V114 HydrophobicContact CD2-CG1 3.59Å; F95-V114 HydrophobicContact CE2-CB 3.87Å; F95-V114 HydrophobicContact CE2-CG1 3.66Å; F95-V114 HydrophobicContact CG-CG1 4.49Å; F95-R115 HydrophobicContact CD2-CG 4.15Å; F95-R115 HydrophobicContact CE2-CG 3.7Å; F95-M118 HydrophobicContact CB-CE 4.37Å; F95-M118 HydrophobicContact CB-SD 3.82Å; F95-M118 HydrophobicContact CD2-SD 3.89Å; F95-M118 HydrophobicContact CG-SD 4.37Å
96H90Very high86.8Confident123 Ų12355.1 Ų55.157%0.56934%0.337SS*.Hα-helixtrans-74.2-39.6-177.8-60.493.6000111.4D94 I98 C99 S100D94-H96 VanDerWaalsContact C-N 3.27Å; D94-H96 PolarHBondContact O-N 3.34Å; D94-H96 WeakPolarHBondContact OD1-CA 3.21Å; D94-H96 WeakPolarHBondContact OD1-CB 3.5Å; D94-H96 PolarHBondContact OD1-N 3.37Å; D94-H96 IonicContact OD1-ND1 3.87Å; H96-I98 VanDerWaalsContact C-N 3.33Å; H96-I98 PolarHBondContact O-N 3.03Å; H96-C99 PolarHBondContact O-N 3.33Å; H96-S100 PolarHBondContact O-N 3.33Å
97E91.2Very high86.4Confident12 Ų1255.6 Ų55.66%0.05634%0.342CS..Hα-helixtrans-62.5-42175.7-67.6178.413300111.3D86 K87 D88 L93 D94 S100D86-E97 WeakPolarHBondContact CA-OE1 3.46Å; K87-E97 PolarHBondContact N-OE1 3.2Å; D88-E97 PolarHBondContact N-OE1 2.96Å; L93-E97 WeakPolarHBondContact CA-OE2 3.32Å; L93-E97 HydrophobicContact CD2-CB 4.35Å; D94-E97 PolarHBondContact N-OE2 3.38Å; D94-E97 PolarHBondContact O-N 3.06Å; D94-E97 PolarHBondContact OD1-N 3.48Å; E97-S100 WeakPolarHBondContact O-CB 3.28Å; E97-S100 PolarHBondContact O-N 3Å; E97-S100 PolarHBondContact O-OG 2.95Å
98I88.4Confident86.3Confident6 Ų652.2 Ų52.23%0.03134%0.337CS..Hα-helixtrans-67.3-42.7174.3-58162.1000110.7L93 D94 H96 S100 L101 V114 Y117 M118 L129L93-I98 HydrophobicContact CB-CD1 4.18Å; L93-I98 HydrophobicContact CB-CG1 3.75Å; L93-I98 HydrophobicContact CD1-CG1 4.42Å; D94-I98 VanDerWaalsContact O-CG1 3.29Å; D94-I98 WeakPolarHBondContact O-CG1 3.23Å; D94-I98 PolarHBondContact O-N 3.19Å; H96-I98 VanDerWaalsContact C-N 3.33Å; H96-I98 PolarHBondContact O-N 3.03Å; I98-S100 PolarHBondContact O-N 3.49Å; I98-L101 HydrophobicContact CG2-CD1 4.48Å; I98-L101 VanDerWaalsContact O-CB 3.25Å; I98-L101 WeakPolarHBondContact O-CB 3.39Å; I98-L101 PolarHBondContact O-N 3.27Å; I98-V114 HydrophobicContact CB-CG1 3.9Å; I98-V114 HydrophobicContact CG2-CG1 3.72Å; I98-V114 HydrophobicContact CG2-CG2 4.04Å; I98-Y117 HydrophobicContact CD1-CD1 4.46Å; I98-Y117 HydrophobicContact CD1-CE1 4.28Å; I98-Y117 HydrophobicContact CG2-CD1 4.24Å; I98-Y117 HydrophobicContact CG2-CE1 4.33Å; I98-M118 HydrophobicContact CD1-CE 4.09Å; I98-M118 HydrophobicContact CD1-CG 3.74Å; I98-M118 HydrophobicContact CD1-SD 3.86Å; I98-L129 HydrophobicContact CD1-CD1 3.66Å; I98-L129 HydrophobicContact CD1-CG 4.16Å
99C85.9Confident86Confident0 Ų052.8 Ų52.80%034%0.337CS..Hα-helixtrans-59.2-31.1175.9-73.40000112.2F95 H96 L101 F102F95-C99 VanDerWaalsContact CE1-SG 3.56Å; F95-C99 WeakPolarHBondContact CZ-SG 3.34Å; F95-C99 WeakPolarHBondContact O-CB 3.17Å; F95-C99 PolarHBondContact O-N 3.31Å; F95-C99 PolarHBondContact O-SG 2.87Å; H96-C99 PolarHBondContact O-N 3.33Å; C99-L101 PolarHBondContact O-N 2.89Å; C99-L101 VanDerWaalsContact O-N 3.16Å; C99-F102 PolarHBondContact O-N 2.82Å
100S83.3Confident85.6Confident50 Ų5050.7 Ų50.735%0.3531%0.312SS..G310 helixtrans-62.3-21177.685.80000113.7H96 E97 I98 F102 G103H96-S100 PolarHBondContact O-N 3.33Å; E97-S100 WeakPolarHBondContact O-CB 3.28Å; E97-S100 PolarHBondContact O-N 3Å; E97-S100 PolarHBondContact O-OG 2.95Å; I98-S100 PolarHBondContact O-N 3.49Å; S100-F102 PolarHBondContact O-N 2.81Å; S100-G103 PolarHBondContact O-N 3.33Å
101L79.5Confident85.3Confident71 Ų7152.6 Ų52.637%0.37231%0.312SS..G310 helixtrans-58-32.5172.2-84.9169.5000113L81 L85 I98 C99 G103L81-L101 HydrophobicContact CD1-CD2 4Å; L81-L101 HydrophobicContact CD2-CD2 4.16Å; L81-L101 HydrophobicContact CG-CD2 4.3Å; L85-L101 HydrophobicContact CD1-CD1 3.55Å; L85-L101 HydrophobicContact CD1-CD2 3.65Å; L85-L101 HydrophobicContact CD1-CG 3.47Å; L85-L101 VanDerWaalsContact CD1-CG 3.47Å; L85-L101 HydrophobicContact CD2-CD2 3.62Å; L85-L101 HydrophobicContact CD2-CG 3.54Å; L85-L101 HydrophobicContact CG-CD2 4.08Å; L85-L101 HydrophobicContact CG-CG 4.09Å; I98-L101 HydrophobicContact CG2-CD1 4.48Å; I98-L101 VanDerWaalsContact O-CB 3.25Å; I98-L101 WeakPolarHBondContact O-CB 3.39Å; I98-L101 PolarHBondContact O-N 3.27Å; C99-L101 PolarHBondContact O-N 2.89Å; C99-L101 VanDerWaalsContact O-N 3.16Å; L101-G103 PolarHBondContact O-N 3.1Å; L101-G103 VanDerWaalsContact O-N 3.12Å
102F79.9Confident85.1Confident103 Ų10356.7 Ų56.745%0.45232%0.315SS..G310 helixtrans-86.831.4-175.2-58.4-86.4000111.8C99 S100 G104 D105 V110 V114C99-F102 PolarHBondContact O-N 2.82Å; S100-F102 PolarHBondContact O-N 2.81Å; F102-G104 PolarHBondContact O-N 3.03Å; F102-D105 HydrophobicContact CB-CB 4.45Å; F102-D105 VanDerWaalsContact O-CB 3.23Å; F102-D105 WeakPolarHBondContact O-CB 3.49Å; F102-D105 PolarHBondContact O-N 2.92Å; F102-V110 HydrophobicContact CB-CG1 3.8Å; F102-V110 HydrophobicContact CB-CG2 4.1Å; F102-V110 HydrophobicContact CD1-CG1 4.37Å; F102-V110 HydrophobicContact CD1-CG2 4.39Å; F102-V110 HydrophobicContact CD2-CG1 3.47Å; F102-V110 VanDerWaalsContact CD2-CG1 3.47Å; F102-V110 HydrophobicContact CE2-CG1 4.14Å; F102-V110 HydrophobicContact CG-CG1 3.61Å; F102-V110 HydrophobicContact CG-CG2 4.2Å; F102-V114 HydrophobicContact CD2-CG2 4.15Å; F102-V114 HydrophobicContact CE2-CG2 3.58Å; F102-V114 HydrophobicContact CZ-CG2 4.41Å
103G72.2Confident84.6Confident79 Ų7958.3 Ų58.381%0.81433%0.327SS*.THydrogen-bonded Turntrans67.721.8179.300000114S100 L101 D105S100-G103 PolarHBondContact O-N 3.33Å; L101-G103 PolarHBondContact O-N 3.1Å; L101-G103 VanDerWaalsContact O-N 3.12Å; G103-D105 PolarHBondContact O-N 2.97Å
104G67.2Low84.3Confident42 Ų4258.4 Ų58.443%0.43333%0.327SS..THydrogen-bonded Turntrans75.310.4-172.700000114F102 N106F102-G104 PolarHBondContact O-N 3.03Å; G104-N106 PolarHBondContact O-N 2.94Å
105D75.1Confident84.2Confident80 Ų8062.5 Ų62.543%0.42834%0.34SS..  trans-64.2102.4170.1-177.610.4000109.7F102 G103 S107 V110F102-D105 HydrophobicContact CB-CB 4.45Å; F102-D105 VanDerWaalsContact O-CB 3.23Å; F102-D105 WeakPolarHBondContact O-CB 3.49Å; F102-D105 PolarHBondContact O-N 2.92Å; G103-D105 PolarHBondContact O-N 2.97Å; D105-S107 VanDerWaalsContact C-N 3.27Å; D105-S107 WeakPolarHBondContact OD1-CB 3.46Å; D105-S107 PolarHBondContact OD1-N 3.18Å; D105-S107 PolarHBondContact OD1-OG 3.01Å; D105-S107 VanDerWaalsContact OD1-OG 3.06Å; D105-S107 PolarHBondContact OD2-OG 2.73Å; D105-S107 VanDerWaalsContact OD2-OG 3.06Å; D105-V110 HydrophobicContact CB-CG2 4.23Å; D105-V110 WeakPolarHBondContact O-CB 3.33Å; D105-V110 VanDerWaalsContact O-CG1 3.29Å; D105-V110 WeakPolarHBondContact O-CG1 3.36Å; D105-V110 WeakPolarHBondContact OD2-CG2 3.02Å
106N75.3Confident84.1Confident95 Ų9565.1 Ų65.151%0.50836%0.356SS..  trans-94.523.4178-74.6-43000112.1G104 R111G104-N106 PolarHBondContact O-N 2.94Å; N106-R111 WeakPolarHBondContact O-CD 3.31Å
107S86.4Confident84Confident32 Ų3260.6 Ų60.622%0.22433%0.334CS..  trans-53.3153.6174.162.10000112.2D105 E109 V110 R111D105-S107 VanDerWaalsContact C-N 3.27Å; D105-S107 WeakPolarHBondContact OD1-CB 3.46Å; D105-S107 PolarHBondContact OD1-N 3.18Å; D105-S107 PolarHBondContact OD1-OG 3.01Å; D105-S107 VanDerWaalsContact OD1-OG 3.06Å; D105-S107 PolarHBondContact OD2-OG 2.73Å; D105-S107 VanDerWaalsContact OD2-OG 3.06Å; S107-E109 WeakPolarHBondContact CB-OE2 3.39Å; S107-E109 PolarHBondContact O-N 3.04Å; S107-E109 VanDerWaalsContact O-N 3.17Å; S107-V110 PolarHBondContact O-N 2.89Å; S107-V110 WeakPolarHBondContact OG-CG2 3.42Å; S107-V110 PolarHBondContact OG-N 3.11Å; S107-R111 WeakPolarHBondContact O-CB 3.49Å; S107-R111 VanDerWaalsContact O-CG 3.3Å; S107-R111 WeakPolarHBondContact O-CG 3.34Å; S107-R111 PolarHBondContact O-N 2.87Å
108S88.2Confident84Confident76 Ų7660.7 Ų60.753%0.53134%0.335SS..Hα-helixtrans-58.8-31-179.974.20000111.9R112S108-R112 WeakPolarHBondContact O-CB 3.38Å; S108-R112 PolarHBondContact O-N 3.34Å
109E86.7Confident84.2Confident103 Ų10369 Ų6948%0.48137%0.371SS..Hα-helixtrans-68.3-53178.2-66.976.8-174.100111.3S107 R112 S113S107-E109 WeakPolarHBondContact CB-OE2 3.39Å; S107-E109 PolarHBondContact O-N 3.04Å; S107-E109 VanDerWaalsContact O-N 3.17Å; E109-R112 PolarHBondContact O-N 3.27Å; E109-S113 PolarHBondContact O-N 2.56Å; E109-S113 PolarHBondContact O-OG 2.88Å; E109-S113 VanDerWaalsContact O-OG 3.1Å
110V83.9Confident84.4Confident15 Ų1577.2 Ų77.29%0.09140%0.402CS..Hα-helixtrans-59.9-48.8175.8170.60000109.9F102 D105 S107 R112 S113 V114F102-V110 HydrophobicContact CB-CG1 3.8Å; F102-V110 HydrophobicContact CB-CG2 4.1Å; F102-V110 HydrophobicContact CD1-CG1 4.37Å; F102-V110 HydrophobicContact CD1-CG2 4.39Å; F102-V110 HydrophobicContact CD2-CG1 3.47Å; F102-V110 VanDerWaalsContact CD2-CG1 3.47Å; F102-V110 HydrophobicContact CE2-CG1 4.14Å; F102-V110 HydrophobicContact CG-CG1 3.61Å; F102-V110 HydrophobicContact CG-CG2 4.2Å; D105-V110 HydrophobicContact CB-CG2 4.23Å; D105-V110 WeakPolarHBondContact O-CB 3.33Å; D105-V110 VanDerWaalsContact O-CG1 3.29Å; D105-V110 WeakPolarHBondContact O-CG1 3.36Å; D105-V110 WeakPolarHBondContact OD2-CG2 3.02Å; S107-V110 PolarHBondContact O-N 2.89Å; S107-V110 WeakPolarHBondContact OG-CG2 3.42Å; S107-V110 PolarHBondContact OG-N 3.11Å; V110-R112 VanDerWaalsContact C-N 3.27Å; V110-R112 PolarHBondContact O-N 3.35Å; V110-S113 WeakPolarHBondContact O-CB 3.21Å; V110-S113 PolarHBondContact O-N 2.78Å; V110-S113 VanDerWaalsContact O-N 3.07Å; V110-V114 HydrophobicContact CG1-CG2 4.16Å; V110-V114 WeakPolarHBondContact O-CG2 3.33Å; V110-V114 PolarHBondContact O-N 2.75Å
111R89.2Confident84.8Confident92 Ų9275.6 Ų75.635%0.34739%0.388SS..Hα-helixtrans-59.4-38.2179.6-68.2-174.371136.55.2112.7F95 N106 S107 R115F95-R111 HydrophobicContact CE1-CG 4.35Å; F95-R111 HydrophobicContact CZ-CB 3.8Å; F95-R111 HydrophobicContact CZ-CG 3.82Å; N106-R111 WeakPolarHBondContact O-CD 3.31Å; S107-R111 WeakPolarHBondContact O-CB 3.49Å; S107-R111 VanDerWaalsContact O-CG 3.3Å; S107-R111 WeakPolarHBondContact O-CG 3.34Å; S107-R111 PolarHBondContact O-N 2.87Å; R111-R115 WeakPolarHBondContact O-CB 3.36Å; R111-R115 WeakPolarHBondContact O-CG 3.41Å; R111-R115 PolarHBondContact O-N 2.83Å
112R89.4Confident85.5Confident125 Ų12573.3 Ų73.347%0.47238%0.376SS..Hα-helixtrans-67.9-43.8175.2177.5177.850.166.33.1111S108 E109 V110 R115 N116S108-R112 WeakPolarHBondContact O-CB 3.38Å; S108-R112 PolarHBondContact O-N 3.34Å; E109-R112 PolarHBondContact O-N 3.27Å; V110-R112 VanDerWaalsContact C-N 3.27Å; V110-R112 PolarHBondContact O-N 3.35Å; R112-R115 PolarHBondContact O-N 2.9Å; R112-N116 WeakPolarHBondContact O-CB 3.3Å; R112-N116 VanDerWaalsContact O-CG 3.24Å; R112-N116 PolarHBondContact O-N 3.41Å
113S85.9Confident86Confident57 Ų5773.6 Ų73.640%0.39939%0.386SS..Hα-helixtrans-61.4-46.5176.1-64.40000111.5E109 V110 R115 N116 Y117E109-S113 PolarHBondContact O-N 2.56Å; E109-S113 PolarHBondContact O-OG 2.88Å; E109-S113 VanDerWaalsContact O-OG 3.1Å; V110-S113 WeakPolarHBondContact O-CB 3.21Å; V110-S113 PolarHBondContact O-N 2.78Å; V110-S113 VanDerWaalsContact O-N 3.07Å; S113-R115 PolarHBondContact O-N 3.01Å; S113-N116 PolarHBondContact O-N 2.83Å; S113-Y117 WeakPolarHBondContact O-CB 3.26Å; S113-Y117 PolarHBondContact O-N 2.79Å
114V88.3Confident87Confident1 Ų174.3 Ų74.31%0.00637%0.372CS..Hα-helixtrans-63.4-41.6176.6176.10000111.6F95 I98 F102 V110 Y117 M118F95-V114 HydrophobicContact CD2-CB 4.32Å; F95-V114 HydrophobicContact CD2-CG1 3.59Å; F95-V114 HydrophobicContact CE2-CB 3.87Å; F95-V114 HydrophobicContact CE2-CG1 3.66Å; F95-V114 HydrophobicContact CG-CG1 4.49Å; I98-V114 HydrophobicContact CB-CG1 3.9Å; I98-V114 HydrophobicContact CG2-CG1 3.72Å; I98-V114 HydrophobicContact CG2-CG2 4.04Å; F102-V114 HydrophobicContact CD2-CG2 4.15Å; F102-V114 HydrophobicContact CE2-CG2 3.58Å; F102-V114 HydrophobicContact CZ-CG2 4.41Å; V110-V114 HydrophobicContact CG1-CG2 4.16Å; V110-V114 WeakPolarHBondContact O-CG2 3.33Å; V110-V114 PolarHBondContact O-N 2.75Å; V114-Y117 VanDerWaalsContact O-CB 3.31Å; V114-Y117 WeakPolarHBondContact O-CB 3.03Å; V114-Y117 PolarHBondContact O-N 2.85Å; V114-M118 HydrophobicContact CG1-CG 4.35Å; V114-M118 HydrophobicContact CG1-SD 4.1Å; V114-M118 WeakPolarHBondContact O-CG 3.49Å; V114-M118 PolarHBondContact O-N 2.78Å
115R90.7Very high88.1Confident120 Ų12082.7 Ų82.745%0.45339%0.39SS..Hα-helixtrans-63.5-44.7174.3-85.4-174.1-69-101.2-0.2112.8F95 R111 R112 S113 Y117 M118 K119F95-R115 HydrophobicContact CD2-CG 4.15Å; F95-R115 HydrophobicContact CE2-CG 3.7Å; R111-R115 WeakPolarHBondContact O-CB 3.36Å; R111-R115 WeakPolarHBondContact O-CG 3.41Å; R111-R115 PolarHBondContact O-N 2.83Å; R112-R115 PolarHBondContact O-N 2.9Å; S113-R115 PolarHBondContact O-N 3.01Å; R115-Y117 PolarHBondContact O-N 3.37Å; R115-M118 PolarHBondContact O-N 2.75Å; R115-K119 WeakPolarHBondContact O-CB 3.36Å; R115-K119 PolarHBondContact O-N 2.82Å
116N90Very high89.1Confident86 Ų8682.7 Ų82.746%0.4639%0.39SS..Hα-helixtrans-62.6-36176.9-74.9-10.9000111R112 S113 R120R112-N116 WeakPolarHBondContact O-CB 3.3Å; R112-N116 VanDerWaalsContact O-CG 3.24Å; R112-N116 PolarHBondContact O-N 3.41Å; S113-N116 PolarHBondContact O-N 2.83Å; N116-R120 VanDerWaalsContact O-CG 3.3Å; N116-R120 WeakPolarHBondContact O-CG 3.29Å; N116-R120 PolarHBondContact O-N 2.98Å
117Y86.5Confident89.9Confident27 Ų2780.2 Ų80.211%0.10639%0.387CS..Hα-helixtrans-63.5-60174.8170.6-113.6000111.5I98 S113 V114 R115 K119 R120 Y121 L129 F137I98-Y117 HydrophobicContact CD1-CD1 4.46Å; I98-Y117 HydrophobicContact CD1-CE1 4.28Å; I98-Y117 HydrophobicContact CG2-CD1 4.24Å; I98-Y117 HydrophobicContact CG2-CE1 4.33Å; S113-Y117 WeakPolarHBondContact O-CB 3.26Å; S113-Y117 PolarHBondContact O-N 2.79Å; V114-Y117 VanDerWaalsContact O-CB 3.31Å; V114-Y117 WeakPolarHBondContact O-CB 3.03Å; V114-Y117 PolarHBondContact O-N 2.85Å; R115-Y117 PolarHBondContact O-N 3.37Å; Y117-K119 VanDerWaalsContact C-N 3.29Å; Y117-K119 PolarHBondContact O-N 2.87Å; Y117-R120 PolarHBondContact O-N 3.49Å; Y117-Y121 AromaticContact CD2-CD2 3.36Å; Y117-Y121 HydrophobicContact CD2-CD2 3.36Å; Y117-Y121 AromaticContact CD2-CE2 3.56Å; Y117-Y121 HydrophobicContact CD2-CE2 3.56Å; Y117-Y121 HydrophobicContact CD2-CG 4.48Å; Y117-Y121 AromaticContact CE2-CD2 3.18Å; Y117-Y121 HydrophobicContact CE2-CD2 3.18Å; Y117-Y121 AromaticContact CE2-CE2 3.55Å; Y117-Y121 HydrophobicContact CE2-CE2 3.55Å; Y117-Y121 AromaticContact CE2-CG 3.97Å; Y117-Y121 HydrophobicContact CE2-CG 3.97Å; Y117-Y121 HydrophobicContact CG-CD2 4.37Å; Y117-Y121 VanDerWaalsContact O-CD2 3.31Å; Y117-Y121 WeakPolarHBondContact O-CD2 3.04Å; Y117-Y121 PolarHBondContact O-N 3.13Å; Y117-Y121 VanDerWaalsContact O-N 3.14Å; Y117-L129 HydrophobicContact CD1-CD1 3.8Å; Y117-L129 HydrophobicContact CE1-CD1 3.02Å; Y117-L129 VanDerWaalsContact CZ-CD1 3.47Å; Y117-L129 WeakPolarHBondContact OH-CD1 3.43Å; Y117-F137 AromaticContact CD2-CD2 3.84Å; Y117-F137 HydrophobicContact CD2-CD2 3.84Å; Y117-F137 HydrophobicContact CD2-CE2 4.21Å; Y117-F137 HydrophobicContact CD2-CG 4.15Å; Y117-F137 HydrophobicContact CE2-CB 3.38Å; Y117-F137 AromaticContact CE2-CD1 3.78Å; Y117-F137 HydrophobicContact CE2-CD1 3.78Å; Y117-F137 AromaticContact CE2-CD2 3.27Å; Y117-F137 HydrophobicContact CE2-CD2 3.27Å; Y117-F137 HydrophobicContact CE2-CE1 4.41Å; Y117-F137 AromaticContact CE2-CE2 3.96Å; Y117-F137 HydrophobicContact CE2-CE2 3.96Å; Y117-F137 AromaticContact CE2-CG 3.15Å; Y117-F137 HydrophobicContact CE2-CG 3.15Å; Y117-F137 HydrophobicContact CE2-CZ 4.48Å; Y117-F137 AromaticContact CZ-CD1 3.8Å; Y117-F137 AromaticContact CZ-CG 3.6Å; Y117-F137 WeakPolarHBondContact OH-CB 3.48Å; Y117-F137 WeakPolarHBondContact OH-CD1 3.49Å; Y117-F137 WeakPolarHBondContact OH-CG 3.3Å
118M92Very high90.3Very high15 Ų1582.3 Ų82.37%0.07439%0.39CS..Hα-helixtrans-55.3-46.4178.6-66.3177.983.200110.7F95 I98 V114 R115 R120 Y121 D122 G127 L129F95-M118 HydrophobicContact CB-CE 4.37Å; F95-M118 HydrophobicContact CB-SD 3.82Å; F95-M118 HydrophobicContact CD2-SD 3.89Å; F95-M118 HydrophobicContact CG-SD 4.37Å; I98-M118 HydrophobicContact CD1-CE 4.09Å; I98-M118 HydrophobicContact CD1-CG 3.74Å; I98-M118 HydrophobicContact CD1-SD 3.86Å; V114-M118 HydrophobicContact CG1-CG 4.35Å; V114-M118 HydrophobicContact CG1-SD 4.1Å; V114-M118 WeakPolarHBondContact O-CG 3.49Å; V114-M118 PolarHBondContact O-N 2.78Å; R115-M118 PolarHBondContact O-N 2.75Å; M118-R120 PolarHBondContact O-N 2.8Å; M118-Y121 PolarHBondContact O-N 3.14Å; M118-Y121 VanDerWaalsContact O-N 3.13Å; M118-D122 WeakPolarHBondContact O-CA 3.48Å; M118-D122 WeakPolarHBondContact O-CB 3.37Å; M118-D122 PolarHBondContact O-N 2.99Å; M118-G127 WeakPolarHBondContact CE-O 3.21Å; M118-L129 HydrophobicContact CG-CD1 4.23Å; M118-L129 HydrophobicContact CG-CG 4.41Å
119K92.2Very high90.6Very high181 Ų18178.7 Ų78.779%0.78737%0.365SS*.Hα-helixtrans-54.4-29.1176.9-176178.5178.1-175.30114.2R115 Y117R115-K119 WeakPolarHBondContact O-CB 3.36Å; R115-K119 PolarHBondContact O-N 2.82Å; Y117-K119 VanDerWaalsContact C-N 3.29Å; Y117-K119 PolarHBondContact O-N 2.87Å
120R90.4Very high91Very high171 Ų17175.7 Ų75.765%0.64535%0.352SS*.Hα-helixtrans-87.2-34.5-179.4-74179.180.2-149.1-0.4113.2N116 Y117 M118N116-R120 VanDerWaalsContact O-CG 3.3Å; N116-R120 WeakPolarHBondContact O-CG 3.29Å; N116-R120 PolarHBondContact O-N 2.98Å; Y117-R120 PolarHBondContact O-N 3.49Å; M118-R120 PolarHBondContact O-N 2.8Å
121Y91.7Very high91.3Very high17 Ų1778 Ų787%0.06736%0.363CS..Hα-helixtrans-113.1-18.6-170.3-60.1-82.6000114.5Y117 M118 T123 E133 T136 F137 D140Y117-Y121 AromaticContact CD2-CD2 3.36Å; Y117-Y121 HydrophobicContact CD2-CD2 3.36Å; Y117-Y121 AromaticContact CD2-CE2 3.56Å; Y117-Y121 HydrophobicContact CD2-CE2 3.56Å; Y117-Y121 HydrophobicContact CD2-CG 4.48Å; Y117-Y121 AromaticContact CE2-CD2 3.18Å; Y117-Y121 HydrophobicContact CE2-CD2 3.18Å; Y117-Y121 AromaticContact CE2-CE2 3.55Å; Y117-Y121 HydrophobicContact CE2-CE2 3.55Å; Y117-Y121 AromaticContact CE2-CG 3.97Å; Y117-Y121 HydrophobicContact CE2-CG 3.97Å; Y117-Y121 HydrophobicContact CG-CD2 4.37Å; Y117-Y121 VanDerWaalsContact O-CD2 3.31Å; Y117-Y121 WeakPolarHBondContact O-CD2 3.04Å; Y117-Y121 PolarHBondContact O-N 3.13Å; Y117-Y121 VanDerWaalsContact O-N 3.14Å; M118-Y121 PolarHBondContact O-N 3.14Å; M118-Y121 VanDerWaalsContact O-N 3.13Å; Y121-T123 PolarHBondContact O-N 2.92Å; Y121-T123 PolarHBondContact O-OG1 2.62Å; Y121-E133 WeakPolarHBondContact O-CB 3.23Å; Y121-E133 VanDerWaalsContact O-CG 3.23Å; Y121-E133 WeakPolarHBondContact O-CG 3.37Å; Y121-T136 HydrophobicContact CD1-CG2 3.93Å; Y121-T136 HydrophobicContact CE1-CG2 4.19Å; Y121-F137 HydrophobicContact CD1-CB 4.13Å; Y121-F137 HydrophobicContact CD2-CB 4.21Å; Y121-F137 HydrophobicContact CE1-CB 4.1Å; Y121-F137 HydrophobicContact CE2-CB 4.18Å; Y121-F137 HydrophobicContact CE2-CD2 4Å; Y121-F137 HydrophobicContact CG-CB 4.19Å; Y121-D140 HydrophobicContact CE1-CB 4.28Å; Y121-D140 PolarHBondContact OH-OD2 2.9Å
122D93.6Very high91.4Very high22 Ų2279 Ų7912%0.11837%0.367CS..  trans-6985.4168.8178.45.3000107.9M118 R125 D126 G127 R128 L129M118-D122 WeakPolarHBondContact O-CA 3.48Å; M118-D122 WeakPolarHBondContact O-CB 3.37Å; M118-D122 PolarHBondContact O-N 2.99Å; D122-R125 WeakPolarHBondContact OD1-CA 3.25Å; D122-R125 PolarHBondContact OD1-N 3.31Å; D122-D126 PolarHBondContact OD1-N 3.06Å; D122-D126 VanDerWaalsContact OD1-N 3.11Å; D122-G127 WeakPolarHBondContact OD2-CA 3.31Å; D122-G127 PolarHBondContact OD2-N 3.21Å; D122-R128 VanDerWaalsContact CG-O 3.32Å; D122-L129 HydrophobicContact CB-CD2 3.7Å; D122-L129 VanDerWaalsContact N-CD2 3.28Å
123T90.4Very high91.6Very high109 Ų10973.5 Ų73.567%0.66935%0.347SS*.SBendtrans-82.6-37.5-166.7-59.80000109.8Y121 R125 E133Y121-T123 PolarHBondContact O-N 2.92Å; Y121-T123 PolarHBondContact O-OG1 2.62Å; T123-R125 VanDerWaalsContact C-N 3.31Å; T123-E133 PolarHBondContact N-OE1 3.25Å
124D93Very high91.8Very high95 Ų9571 Ų7151%0.50833%0.329SS..SBendtrans-81.4-11.4174.367.618.6000113.4D126 E133D124-D126 VanDerWaalsContact C-N 3.31Å; D124-D126 WeakPolarHBondContact OD1-CB 3.31Å; D124-D126 PolarHBondContact OD1-N 3.36Å; D124-D126 VanDerWaalsContact OD1-N 3.11Å; D124-E133 PolarHBondContact N-OE1 3.5Å
125R91.9Very high91.8Very high217 Ų21771.6 Ų71.682%0.81933%0.331SS*.  trans64.334176-55.6-178.1179.9161.42.4112.7D122 T123 G127D122-R125 WeakPolarHBondContact OD1-CA 3.25Å; D122-R125 PolarHBondContact OD1-N 3.31Å; T123-R125 VanDerWaalsContact C-N 3.31Å; R125-G127 PolarHBondContact O-N 3.27Å
126D94.8Very high91.7Very high81 Ų8167.2 Ų67.243%0.43332%0.318SS..SBendtrans-77.9-5.9174.883-8000112.9D122 D124 R128D122-D126 PolarHBondContact OD1-N 3.06Å; D122-D126 VanDerWaalsContact OD1-N 3.11Å; D124-D126 VanDerWaalsContact C-N 3.31Å; D124-D126 WeakPolarHBondContact OD1-CB 3.31Å; D124-D126 PolarHBondContact OD1-N 3.36Å; D124-D126 VanDerWaalsContact OD1-N 3.11Å; D126-R128 VanDerWaalsContact C-N 3.32Å; D126-R128 VanDerWaalsContact OD1-CA 3.3Å; D126-R128 WeakPolarHBondContact OD1-CA 3.02Å; D126-R128 VanDerWaalsContact OD1-CB 3.31Å; D126-R128 WeakPolarHBondContact OD1-CB 3.18Å; D126-R128 PolarHBondContact OD1-N 3.16Å
127G92.8Very high91.4Very high42 Ų4265.8 Ų65.843%0.43331%0.308SS..SBendtrans82.710.618000000113.4M118 D122 R125M118-G127 WeakPolarHBondContact CE-O 3.21Å; D122-G127 WeakPolarHBondContact OD2-CA 3.31Å; D122-G127 PolarHBondContact OD2-N 3.21Å; R125-G127 PolarHBondContact O-N 3.27Å
128R95.1Very high91.2Very high77 Ų7764.8 Ų64.829%0.29130%0.304SS..SBendtrans-131.9178177.7-54.6-176.4163.4-128.2-8.3108.1D88 S90 T92 L93 D94 D122 D126D88-R128 IonicContact OD2-NH1 3.58Å; S90-R128 PolarHBondContact OG-NH1 3.27Å; S90-R128 VanDerWaalsContact OG-NH1 3.15Å; T92-R128 VanDerWaalsContact OG1-CD 3.26Å; T92-R128 WeakPolarHBondContact OG1-CD 3.3Å; T92-R128 PolarHBondContact OG1-NH1 3.12Å; L93-R128 CarbonylContact O-C 3.49Å; L93-R128 WeakPolarHBondContact O-CA 3.3Å; D94-R128 HydrophobicContact CB-CG 4.35Å; D122-R128 VanDerWaalsContact CG-O 3.32Å; D126-R128 VanDerWaalsContact C-N 3.32Å; D126-R128 VanDerWaalsContact OD1-CA 3.3Å; D126-R128 WeakPolarHBondContact OD1-CA 3.02Å; D126-R128 VanDerWaalsContact OD1-CB 3.31Å; D126-R128 WeakPolarHBondContact OD1-CB 3.18Å; D126-R128 PolarHBondContact OD1-N 3.16Å
129L93.9Very high90.8Very high0 Ų064.2 Ų64.20%030%0.302CS..EExtended strand (participates in β ladder)trans-124.9117172-65.2177.7000109.7T92 L93 I98 Y117 M118 D122 E133T92-L129 CarbonylContact C-O 3.52Å; T92-L129 WeakPolarHBondContact CA-O 3.36Å; L93-L129 PolarHBondContact N-O 3.19Å; L93-L129 PolarHBondContact O-N 3.15Å; I98-L129 HydrophobicContact CD1-CD1 3.66Å; I98-L129 HydrophobicContact CD1-CG 4.16Å; Y117-L129 HydrophobicContact CD1-CD1 3.8Å; Y117-L129 HydrophobicContact CE1-CD1 3.02Å; Y117-L129 VanDerWaalsContact CZ-CD1 3.47Å; Y117-L129 WeakPolarHBondContact OH-CD1 3.43Å; M118-L129 HydrophobicContact CG-CD1 4.23Å; M118-L129 HydrophobicContact CG-CG 4.41Å; D122-L129 HydrophobicContact CB-CD2 3.7Å; D122-L129 VanDerWaalsContact N-CD2 3.28Å; L129-E133 WeakPolarHBondContact CA-OE2 3.36Å; L129-E133 HydrophobicContact CB-CB 4.41Å; L129-E133 HydrophobicContact CD2-CB 3.88Å
130N94.6Very high90.4Very high40 Ų4057.7 Ų57.721%0.21428%0.276CS..EExtended strand (participates in β ladder)trans-73.3170.9168.967.659000110.5T92 R132 E133 F134T92-N130 HydrophobicContact CG2-CB 4.36Å; N130-R132 PolarHBondContact O-N 2.73Å; N130-R132 WeakPolarHBondContact OD1-CA 3.44Å; N130-R132 VanDerWaalsContact OD1-CB 3.26Å; N130-R132 WeakPolarHBondContact OD1-CB 3.37Å; N130-R132 PolarHBondContact OD1-N 3.23Å; N130-E133 VanDerWaalsContact CG-OE2 3.31Å; N130-E133 PolarHBondContact N-OE2 3.11Å; N130-E133 PolarHBondContact ND2-OE2 2.97Å; N130-E133 PolarHBondContact O-N 3.43Å; N130-E133 PolarHBondContact OD1-N 2.95Å; N130-E133 VanDerWaalsContact OD1-N 3.1Å; N130-F134 WeakPolarHBondContact O-CB 3.37Å; N130-F134 PolarHBondContact O-N 2.9Å
131I91.6Very high89.7Confident64 Ų6453.8 Ų53.833%0.32827%0.265SS..Hα-helixtrans-60.3-31.9-176.6-167.1167.6000113.1T79 F82 L135T79-I131 HydrophobicContact CG2-CD1 3.76Å; F82-I131 HydrophobicContact CD2-CB 4.27Å; F82-I131 HydrophobicContact CD2-CG1 4.27Å; F82-I131 HydrophobicContact CE1-CB 4.37Å; F82-I131 HydrophobicContact CE2-CB 4.07Å; F82-I131 HydrophobicContact CG-CB 4.48Å; F82-I131 HydrophobicContact CG-CG1 4.25Å; F82-I131 HydrophobicContact CZ-CB 4.13Å; I131-L135 HydrophobicContact CG1-CD1 4.03Å; I131-L135 HydrophobicContact CG1-CG 4.27Å; I131-L135 WeakPolarHBondContact O-CB 3.2Å; I131-L135 WeakPolarHBondContact O-CG 3.39Å; I131-L135 PolarHBondContact O-N 3.23Å
132R91.2Very high89Confident113 Ų11353.1 Ų53.143%0.42626%0.263SS..Hα-helixtrans-67.7-49.5179.9-172.4-177.8177.694.711.7109.5D52 I53 N130 F134 L135 T136D52-R132 PolarHBondContact O-NH2 2.81Å; I53-R132 WeakPolarHBondContact O-CD 3.41Å; I53-R132 WeakPolarHBondContact O-CG 3.29Å; I53-R132 PolarHBondContact O-NE 2.92Å; I53-R132 PolarHBondContact O-NH2 3.28Å; N130-R132 PolarHBondContact O-N 2.73Å; N130-R132 WeakPolarHBondContact OD1-CA 3.44Å; N130-R132 VanDerWaalsContact OD1-CB 3.26Å; N130-R132 WeakPolarHBondContact OD1-CB 3.37Å; N130-R132 PolarHBondContact OD1-N 3.23Å; R132-F134 VanDerWaalsContact C-N 3.34Å; R132-F134 PolarHBondContact O-N 2.98Å; R132-L135 CarbonylContact O-C 3.6Å; R132-L135 PolarHBondContact O-N 3.4Å; R132-L135 VanDerWaalsContact O-N 3.1Å; R132-T136 PolarHBondContact O-N 3.5Å; R132-T136 PolarHBondContact O-OG1 3.12Å; R132-T136 VanDerWaalsContact O-OG1 3.05Å
133E92.7Very high88Confident9 Ų954.8 Ų54.84%0.04227%0.27CS..Hα-helixtrans-63-40.4178.1-63.7170.2144.200112.3Y121 T123 D124 L129 N130 L135 T136 F137Y121-E133 WeakPolarHBondContact O-CB 3.23Å; Y121-E133 VanDerWaalsContact O-CG 3.23Å; Y121-E133 WeakPolarHBondContact O-CG 3.37Å; T123-E133 PolarHBondContact N-OE1 3.25Å; D124-E133 PolarHBondContact N-OE1 3.5Å; L129-E133 WeakPolarHBondContact CA-OE2 3.36Å; L129-E133 HydrophobicContact CB-CB 4.41Å; L129-E133 HydrophobicContact CD2-CB 3.88Å; N130-E133 VanDerWaalsContact CG-OE2 3.31Å; N130-E133 PolarHBondContact N-OE2 3.11Å; N130-E133 PolarHBondContact ND2-OE2 2.97Å; N130-E133 PolarHBondContact O-N 3.43Å; N130-E133 PolarHBondContact OD1-N 2.95Å; N130-E133 VanDerWaalsContact OD1-N 3.1Å; E133-L135 VanDerWaalsContact C-N 3.34Å; E133-L135 PolarHBondContact O-N 3.27Å; E133-T136 PolarHBondContact O-N 3.39Å; E133-F137 PolarHBondContact O-N 3.07Å
134F90.2Very high86.8Confident5 Ų557 Ų572%0.02227%0.273CS..Hα-helixtrans-61.4-41.1172.7177.4-102.8000112.2W78 L81 F82 L93 N130 R132 F137 V138W78-F134 HydrophobicContact CB-CE1 4.38Å; W78-F134 HydrophobicContact CE3-CE1 4.08Å; W78-F134 AromaticContact CE3-CZ 3.97Å; W78-F134 HydrophobicContact CE3-CZ 3.97Å; W78-F134 HydrophobicContact CZ3-CZ 4.38Å; L81-F134 HydrophobicContact CD2-CZ 4.3Å; F82-F134 HydrophobicContact CB-CD1 4.22Å; F82-F134 HydrophobicContact CB-CE1 4.28Å; F82-F134 HydrophobicContact CD2-CB 3.86Å; F82-F134 AromaticContact CD2-CD1 3.83Å; F82-F134 HydrophobicContact CD2-CD1 3.83Å; F82-F134 AromaticContact CD2-CG 3.84Å; F82-F134 HydrophobicContact CD2-CG 3.84Å; F82-F134 HydrophobicContact CE2-CB 4.07Å; F82-F134 HydrophobicContact CE2-CG 4.49Å; L93-F134 HydrophobicContact CD1-CD2 4.01Å; L93-F134 HydrophobicContact CD1-CE2 4.36Å; L93-F134 HydrophobicContact CD1-CG 4.42Å; N130-F134 WeakPolarHBondContact O-CB 3.37Å; N130-F134 PolarHBondContact O-N 2.9Å; R132-F134 VanDerWaalsContact C-N 3.34Å; R132-F134 PolarHBondContact O-N 2.98Å; F134-F137 WeakPolarHBondContact O-CB 3.49Å; F134-V138 HydrophobicContact CE1-CG2 4.18Å; F134-V138 HydrophobicContact CZ-CG2 4.29Å; F134-V138 WeakPolarHBondContact O-CG2 3.47Å; F134-V138 PolarHBondContact O-N 2.85Å
135L88.9Confident85.2Confident12 Ų1255.4 Ų55.46%0.06327%0.269CS..Hα-helixtrans-74.7-31.5178.1-71.3174.6000112.8I53 L66 I75 W78 I131 R132 E133 F137 V138 A139I53-L135 HydrophobicContact CG2-CB 3.65Å; L66-L135 HydrophobicContact CD2-CD2 4.43Å; I75-L135 HydrophobicContact CD1-CD1 3.8Å; I75-L135 HydrophobicContact CG1-CD1 3.94Å; I75-L135 HydrophobicContact CG1-CD2 4.21Å; W78-L135 HydrophobicContact CB-CD2 3.63Å; W78-L135 HydrophobicContact CG-CD2 4.43Å; I131-L135 HydrophobicContact CG1-CD1 4.03Å; I131-L135 HydrophobicContact CG1-CG 4.27Å; I131-L135 WeakPolarHBondContact O-CB 3.2Å; I131-L135 WeakPolarHBondContact O-CG 3.39Å; I131-L135 PolarHBondContact O-N 3.23Å; R132-L135 CarbonylContact O-C 3.6Å; R132-L135 PolarHBondContact O-N 3.4Å; R132-L135 VanDerWaalsContact O-N 3.1Å; E133-L135 VanDerWaalsContact C-N 3.34Å; E133-L135 PolarHBondContact O-N 3.27Å; L135-F137 PolarHBondContact O-N 2.83Å; L135-V138 PolarHBondContact O-N 3.3Å; L135-V138 VanDerWaalsContact O-N 3.11Å; L135-A139 WeakPolarHBondContact O-CB 3.4Å; L135-A139 PolarHBondContact O-N 2.89Å
136T87.6Confident83.5Confident28 Ų2849.9 Ų49.917%0.17227%0.269CS..Hα-helixtrans-56.9-42.2172.6-620000110.8N54 Y121 R132 E133 A139 D140N54-T136 HydrophobicContact CB-CG2 3.61Å; Y121-T136 HydrophobicContact CD1-CG2 3.93Å; Y121-T136 HydrophobicContact CE1-CG2 4.19Å; R132-T136 PolarHBondContact O-N 3.5Å; R132-T136 PolarHBondContact O-OG1 3.12Å; R132-T136 VanDerWaalsContact O-OG1 3.05Å; E133-T136 PolarHBondContact O-N 3.39Å; T136-A139 PolarHBondContact O-N 2.97Å; T136-D140 WeakPolarHBondContact O-CB 3.5Å; T136-D140 PolarHBondContact O-N 3.1Å
137F84.4Confident81.4Confident56 Ų5652.1 Ų52.125%0.24629%0.286CS..Hα-helixtrans-59.3-49.3171.9158.9-113.4000113.8Y117 Y121 E133 F134 L135 A139 D140 Q141Y117-F137 AromaticContact CD2-CD2 3.84Å; Y117-F137 HydrophobicContact CD2-CD2 3.84Å; Y117-F137 HydrophobicContact CD2-CE2 4.21Å; Y117-F137 HydrophobicContact CD2-CG 4.15Å; Y117-F137 HydrophobicContact CE2-CB 3.38Å; Y117-F137 AromaticContact CE2-CD1 3.78Å; Y117-F137 HydrophobicContact CE2-CD1 3.78Å; Y117-F137 AromaticContact CE2-CD2 3.27Å; Y117-F137 HydrophobicContact CE2-CD2 3.27Å; Y117-F137 HydrophobicContact CE2-CE1 4.41Å; Y117-F137 AromaticContact CE2-CE2 3.96Å; Y117-F137 HydrophobicContact CE2-CE2 3.96Å; Y117-F137 AromaticContact CE2-CG 3.15Å; Y117-F137 HydrophobicContact CE2-CG 3.15Å; Y117-F137 HydrophobicContact CE2-CZ 4.48Å; Y117-F137 AromaticContact CZ-CD1 3.8Å; Y117-F137 AromaticContact CZ-CG 3.6Å; Y117-F137 WeakPolarHBondContact OH-CB 3.48Å; Y117-F137 WeakPolarHBondContact OH-CD1 3.49Å; Y117-F137 WeakPolarHBondContact OH-CG 3.3Å; Y121-F137 HydrophobicContact CD1-CB 4.13Å; Y121-F137 HydrophobicContact CD2-CB 4.21Å; Y121-F137 HydrophobicContact CE1-CB 4.1Å; Y121-F137 HydrophobicContact CE2-CB 4.18Å; Y121-F137 HydrophobicContact CE2-CD2 4Å; Y121-F137 HydrophobicContact CG-CB 4.19Å; E133-F137 PolarHBondContact O-N 3.07Å; F134-F137 WeakPolarHBondContact O-CB 3.49Å; L135-F137 PolarHBondContact O-N 2.83Å; F137-A139 PolarHBondContact O-N 3.3Å; F137-D140 PolarHBondContact O-N 2.97Å; F137-Q141 HydrophobicContact CD2-CG 3.87Å; F137-Q141 HydrophobicContact CE2-CG 3.39Å; F137-Q141 HydrophobicContact CZ-CG 3.87Å; F137-Q141 WeakPolarHBondContact O-CG 3.41Å; F137-Q141 PolarHBondContact O-N 2.82Å
138V82.5Confident80.8Confident6 Ų652.7 Ų52.74%0.03628%0.279CS..Hα-helixtrans-60-39.6-179.7173.30000110.2L66 W78 F134 L135 Q141 A142L66-V138 HydrophobicContact CD1-CG1 3.58Å; L66-V138 HydrophobicContact CD2-CB 4.13Å; L66-V138 HydrophobicContact CD2-CG1 3.86Å; L66-V138 HydrophobicContact CG-CG1 4.38Å; W78-V138 HydrophobicContact CD2-CB 4.32Å; W78-V138 HydrophobicContact CD2-CG1 3.63Å; W78-V138 HydrophobicContact CD2-CG2 3.69Å; W78-V138 HydrophobicContact CE3-CG1 4.35Å; W78-V138 HydrophobicContact CE3-CG2 3.62Å; W78-V138 HydrophobicContact CG-CG1 3.82Å; W78-V138 HydrophobicContact CG-CG2 4.19Å; W78-V138 HydrophobicContact CH2-CG1 4.47Å; W78-V138 HydrophobicContact CH2-CG2 4.33Å; W78-V138 HydrophobicContact CZ2-CG1 3.77Å; W78-V138 HydrophobicContact CZ2-CG2 4.4Å; W78-V138 HydrophobicContact CZ3-CG2 3.96Å; W78-V138 VanDerWaalsContact NE1-CG1 3.29Å; F134-V138 HydrophobicContact CE1-CG2 4.18Å; F134-V138 HydrophobicContact CZ-CG2 4.29Å; F134-V138 WeakPolarHBondContact O-CG2 3.47Å; F134-V138 PolarHBondContact O-N 2.85Å; L135-V138 PolarHBondContact O-N 3.3Å; L135-V138 VanDerWaalsContact O-N 3.11Å; V138-Q141 PolarHBondContact O-N 3.47Å; V138-A142 WeakPolarHBondContact O-CB 3.16Å; V138-A142 PolarHBondContact O-N 3.07Å
139A83.5Confident80.1Confident3 Ų351.4 Ų51.43%0.02528%0.278CS..Hα-helixtrans-64.4-45.317600000112G62 E63 L66 L135 T136 F137 Q141 A142 E143G62-A139 WeakPolarHBondContact CA-O 3.16Å; E63-A139 HydrophobicContact CG-CB 3.77Å; L66-A139 HydrophobicContact CD2-CB 3.91Å; L135-A139 WeakPolarHBondContact O-CB 3.4Å; L135-A139 PolarHBondContact O-N 2.89Å; T136-A139 PolarHBondContact O-N 2.97Å; F137-A139 PolarHBondContact O-N 3.3Å; A139-Q141 VanDerWaalsContact C-N 3.31Å; A139-Q141 PolarHBondContact O-N 3.26Å; A139-A142 VanDerWaalsContact O-CB 3.3Å; A139-A142 WeakPolarHBondContact O-CB 3.07Å; A139-A142 PolarHBondContact O-N 3.07Å; A139-E143 PolarHBondContact O-N 3.29Å
140D83.3Confident79.3Confident45 Ų4554.2 Ų54.224%0.24129%0.293CS..Hα-helixtrans-61.2-38.4177.7-166.643.6000111.7Y121 T136 F137 A142 E143Y121-D140 HydrophobicContact CE1-CB 4.28Å; Y121-D140 PolarHBondContact OH-OD2 2.9Å; T136-D140 WeakPolarHBondContact O-CB 3.5Å; T136-D140 PolarHBondContact O-N 3.1Å; F137-D140 PolarHBondContact O-N 2.97Å; D140-A142 VanDerWaalsContact C-N 3.34Å; D140-A142 PolarHBondContact O-N 2.98Å; D140-E143 PolarHBondContact O-N 2.93Å
141Q76.8Confident78.4Confident89 Ų8955.1 Ų55.142%0.41630%0.298SS..Hα-helixtrans-69.8-30.3173.4-63.7-55-69.600113.2F137 V138 A139 E143 S145F137-Q141 HydrophobicContact CD2-CG 3.87Å; F137-Q141 HydrophobicContact CE2-CG 3.39Å; F137-Q141 HydrophobicContact CZ-CG 3.87Å; F137-Q141 WeakPolarHBondContact O-CG 3.41Å; F137-Q141 PolarHBondContact O-N 2.82Å; V138-Q141 PolarHBondContact O-N 3.47Å; A139-Q141 VanDerWaalsContact C-N 3.31Å; A139-Q141 PolarHBondContact O-N 3.26Å; Q141-E143 VanDerWaalsContact C-N 3.31Å; Q141-E143 PolarHBondContact O-N 3.17Å; Q141-S145 PolarHBondContact O-N 3.06Å; Q141-S145 PolarHBondContact O-OG 2.9Å
142A76.1Confident77.6Confident3 Ų354.5 Ų54.53%0.02530%0.296CS..Hα-helixtrans-71.1-26.3179.400000113.4K65 T71 V138 A139 D140 H144 S145K65-A142 PolarHBondContact NZ-O 3.26Å; T71-A142 HydrophobicContact CG2-CB 3.32Å; V138-A142 WeakPolarHBondContact O-CB 3.16Å; V138-A142 PolarHBondContact O-N 3.07Å; A139-A142 VanDerWaalsContact O-CB 3.3Å; A139-A142 WeakPolarHBondContact O-CB 3.07Å; A139-A142 PolarHBondContact O-N 3.07Å; D140-A142 VanDerWaalsContact C-N 3.34Å; D140-A142 PolarHBondContact O-N 2.98Å; A142-H144 VanDerWaalsContact C-N 3.32Å; A142-S145 PolarHBondContact O-N 3.34Å
143E72.5Confident76.7Confident56 Ų5650.6 Ų50.626%0.26229%0.288SS..Hα-helixtrans-64.2-37.9177.6-171.2156.2-128.800111.8A139 D140 Q141A139-E143 PolarHBondContact O-N 3.29Å; D140-E143 PolarHBondContact O-N 2.93Å; Q141-E143 VanDerWaalsContact C-N 3.31Å; Q141-E143 PolarHBondContact O-N 3.17Å
144H66.2Low75.5Confident156 Ų15653.6 Ų53.672%0.72231%0.305SS*.Hα-helixtrans-88.9-11.4177.3-59.9-47.4000114.4A142 A146A142-H144 VanDerWaalsContact C-N 3.32Å; H144-A146 PolarHBondContact O-N 3.06Å
145S58.4Low74.4Confident61 Ų6157.3 Ų57.343%0.42733%0.327SS..SBendtrans-75.4122.3-179.3-65.30000110.6K65 Q141 A142K65-S145 PolarHBondContact NZ-O 2.79Å; Q141-S145 PolarHBondContact O-N 3.06Å; Q141-S145 PolarHBondContact O-OG 2.9Å; A142-S145 PolarHBondContact O-N 3.34Å
146A55.9Low73.2Confident101 Ų10161.1 Ų61.184%0.83535%0.349SS*.  trans-58.1140.6171.900000110.5H144H144-A146 PolarHBondContact O-N 3.06Å
147V50.9Low71.9Confident129 Ų12964.1 Ų64.178%0.78237%0.365SS*.  trans-900168.3-176.40000108.9V7 K65V7-V147 HydrophobicContact CG1-CG1 3.77Å; K65-V147 HydrophobicContact CD-CG2 4.34Å

Retrieved 147 of 147 residues in 37.2 ms (Link to these results)

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