A0A087YET7_POEFO Loading...

RALBP1 associated Eps domain containing 1

AlphaFold DB , UniProt , Accession A0A087YET7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 819 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
1M45.6Very low75.8Confident157 Ų15783.2 Ų83.277%0.77346%0.458SS*.  0114.80-72.6177-169.900106.1Q68 I71M1-Q68 HydrophobicContact CE-CG 4.15Å; M1-Q68 HydrophobicContact SD-CG 4.11Å; M1-I71 HydrophobicContact SD-CD1 4.32Å
2E46Very low77.1Confident111 Ų11187.2 Ų87.252%0.51947%0.467SS..  trans-66.8160.8176.9-60.2173.3118.300110.4L4E2-L4 PolarHBondContact O-N 2.73Å
3S59.4Low78.3Confident84 Ų8485.4 Ų85.459%0.58745%0.451SS*.  trans-64.7118.8171.439.40000109.8T5 N91S3-T5 PolarHBondContact O-N 3.37Å; S3-N91 PolarHBondContact O-ND2 2.74Å
4L78.6Confident79.4Confident35 Ų3579.4 Ų79.418%0.18342%0.419CS..  trans-72.4112.8175-175.470.4000108.6E2 L6 I71 K74 L90E2-L4 PolarHBondContact O-N 2.73Å; L4-L6 HydrophobicContact CD2-CD1 4.12Å; L4-L6 HydrophobicContact CD2-CD2 3.79Å; L4-L6 HydrophobicContact CD2-CG 4.07Å; L4-L6 HydrophobicContact CG-CD2 3.88Å; L4-L6 HydrophobicContact CG-CG 4.07Å; L4-I71 HydrophobicContact CB-CG1 4.4Å; L4-I71 HydrophobicContact CD1-CG1 4.34Å; L4-I71 HydrophobicContact CD2-CG1 3.99Å; L4-I71 HydrophobicContact CG-CG1 4.5Å; L4-K74 HydrophobicContact CD1-CD 3.78Å; L4-K74 HydrophobicContact CG-CD 4.43Å; L4-L90 HydrophobicContact CD1-CB 3.82Å; L4-L90 HydrophobicContact CD1-CD1 4.19Å; L4-L90 HydrophobicContact CD1-CD2 4.04Å; L4-L90 HydrophobicContact CD1-CG 4.26Å
5T80.2Confident80.2Confident81 Ų8176.1 Ų76.150%0.49741%0.405SS..  trans-78.5129.7173.755.50000109.1S3 K74 N91S3-T5 PolarHBondContact O-N 3.37Å; T5-K74 PolarHBondContact O-NZ 3.27Å; T5-N91 PolarHBondContact N-OD1 2.85Å; T5-N91 VanDerWaalsContact OG1-CG 3.3Å; T5-N91 PolarHBondContact OG1-OD1 3.39Å
6L83.6Confident81Confident42 Ų4278 Ų7822%0.2241%0.411CS..  trans-131.8137.7-177.7-65.5-179.4000109L4 E10 Q11 Y14 Y70 K74L4-L6 HydrophobicContact CD2-CD1 4.12Å; L4-L6 HydrophobicContact CD2-CD2 3.79Å; L4-L6 HydrophobicContact CD2-CG 4.07Å; L4-L6 HydrophobicContact CG-CD2 3.88Å; L4-L6 HydrophobicContact CG-CG 4.07Å; L6-E10 HydrophobicContact CB-CB 4.24Å; L6-E10 HydrophobicContact CD2-CB 4.1Å; L6-Q11 HydrophobicContact CB-CB 4.3Å; L6-Y14 HydrophobicContact CD1-CD2 3.89Å; L6-Y14 HydrophobicContact CD1-CE2 4.37Å; L6-Y14 HydrophobicContact CD2-CD2 3.93Å; L6-Y14 HydrophobicContact CD2-CE2 3.53Å; L6-Y70 HydrophobicContact CD1-CD2 3.63Å; L6-Y70 HydrophobicContact CD1-CE2 4.23Å; L6-Y70 HydrophobicContact CD1-CG 4.28Å; L6-K74 HydrophobicContact CD2-CD 4.02Å
7S86.5Confident81.6Confident57 Ų5774.6 Ų74.640%0.39939%0.393SS..  trans-67.5157.716558.20000110.9V9 E10 Q11S7-V9 PolarHBondContact O-N 2.96Å; S7-V9 VanDerWaalsContact O-N 3.13Å; S7-E10 PolarHBondContact N-OE2 3.35Å; S7-E10 PolarHBondContact O-N 3.18Å; S7-E10 VanDerWaalsContact O-N 3.09Å; S7-E10 VanDerWaalsContact OG-CG 3.3Å; S7-E10 WeakPolarHBondContact OG-CG 3.48Å; S7-E10 PolarHBondContact OG-N 3.11Å; S7-E10 PolarHBondContact OG-OE2 3.26Å; S7-Q11 WeakPolarHBondContact O-CB 3.46Å; S7-Q11 PolarHBondContact O-N 3.14Å
8D85.6Confident82.2Confident144 Ų14470.8 Ų70.877%0.7737%0.372SS*.Hα-helixtrans-55.6-33.3177-56.2-78.4000112.7K12D8-K12 VanDerWaalsContact O-CB 3.26Å; D8-K12 WeakPolarHBondContact O-CB 3.48Å; D8-K12 PolarHBondContact O-N 2.91Å
9V88.2Confident82.6Confident97 Ų9771.8 Ų71.859%0.58838%0.381SS*.Hα-helixtrans-67.2-47.5177.8-177.30000111S7 Y13 L98S7-V9 PolarHBondContact O-N 2.96Å; S7-V9 VanDerWaalsContact O-N 3.13Å; V9-Y13 VanDerWaalsContact O-CB 3.29Å; V9-Y13 WeakPolarHBondContact O-CB 3.43Å; V9-Y13 PolarHBondContact O-N 3.38Å; V9-L98 HydrophobicContact CG1-CD1 4.14Å
10E90.3Very high82.9Confident16 Ų1672.3 Ų72.38%0.07538%0.378CS..Hα-helixtrans-64.8-47.9173.5-7317498.200111.8L6 S7 K12 Y13 Y14 K74 L98L6-E10 HydrophobicContact CB-CB 4.24Å; L6-E10 HydrophobicContact CD2-CB 4.1Å; S7-E10 PolarHBondContact N-OE2 3.35Å; S7-E10 PolarHBondContact O-N 3.18Å; S7-E10 VanDerWaalsContact O-N 3.09Å; S7-E10 VanDerWaalsContact OG-CG 3.3Å; S7-E10 WeakPolarHBondContact OG-CG 3.48Å; S7-E10 PolarHBondContact OG-N 3.11Å; S7-E10 PolarHBondContact OG-OE2 3.26Å; E10-K12 VanDerWaalsContact C-N 3.29Å; E10-K12 PolarHBondContact O-N 2.95Å; E10-Y13 PolarHBondContact O-N 2.74Å; E10-Y13 VanDerWaalsContact O-N 3.17Å; E10-Y14 HydrophobicContact CB-CD2 4.22Å; E10-Y14 HydrophobicContact CB-CE2 3.79Å; E10-Y14 HydrophobicContact CG-CE2 4.16Å; E10-Y14 VanDerWaalsContact O-CB 3.28Å; E10-Y14 WeakPolarHBondContact O-CB 3.46Å; E10-Y14 PolarHBondContact O-N 2.79Å; E10-Y14 PolarHBondContact OE1-OH 3.2Å; E10-K74 WeakPolarHBondContact OE1-CE 3.33Å; E10-K74 IonicContact OE1-NZ 3Å; E10-L98 HydrophobicContact CG-CD2 3.78Å
11Q90.4Very high83.1Confident91 Ų9169.3 Ų69.343%0.42536%0.363SS..Hα-helixtrans-56.7-44.5-178.9177.570-28.300110.8L6 S7 S15L6-Q11 HydrophobicContact CB-CB 4.3Å; S7-Q11 WeakPolarHBondContact O-CB 3.46Å; S7-Q11 PolarHBondContact O-N 3.14Å; Q11-S15 VanDerWaalsContact O-CB 3.23Å; Q11-S15 WeakPolarHBondContact O-CB 3.24Å; Q11-S15 PolarHBondContact O-N 3.48Å; Q11-S15 PolarHBondContact O-OG 3.07Å
12K90.7Very high85.1Confident131 Ų13162.3 Ų62.357%0.5733%0.329SS*.Hα-helixtrans-63.2-55173-178.5173.2175.9175.70111.5D8 E10 Y14 S15 E16D8-K12 VanDerWaalsContact O-CB 3.26Å; D8-K12 WeakPolarHBondContact O-CB 3.48Å; D8-K12 PolarHBondContact O-N 2.91Å; E10-K12 VanDerWaalsContact C-N 3.29Å; E10-K12 PolarHBondContact O-N 2.95Å; K12-Y14 PolarHBondContact O-N 3.37Å; K12-S15 WeakPolarHBondContact O-CB 3.08Å; K12-S15 PolarHBondContact O-N 3.39Å; K12-S15 VanDerWaalsContact O-N 3.08Å; K12-S15 PolarHBondContact O-OG 3.06Å; K12-E16 WeakPolarHBondContact CE-OE1 3.22Å; K12-E16 IonicContact NZ-OE1 3.2Å; K12-E16 PolarHBondContact O-N 3.44Å
13Y92.6Very high86.8Confident64 Ų6461.3 Ų61.325%0.25133%0.331SS..Hα-helixtrans-59.9-44.6-175.9-177.2-122.4000112.9V9 E10 S15 E16 L17 L98 P99 F101V9-Y13 VanDerWaalsContact O-CB 3.29Å; V9-Y13 WeakPolarHBondContact O-CB 3.43Å; V9-Y13 PolarHBondContact O-N 3.38Å; E10-Y13 PolarHBondContact O-N 2.74Å; E10-Y13 VanDerWaalsContact O-N 3.17Å; Y13-S15 VanDerWaalsContact C-N 3.31Å; Y13-S15 PolarHBondContact O-N 2.87Å; Y13-E16 PolarHBondContact O-N 3.03Å; Y13-L17 HydrophobicContact CD1-CD1 4.13Å; Y13-L17 HydrophobicContact CE1-CD1 3.71Å; Y13-L17 HydrophobicContact CE2-CD1 4.25Å; Y13-L17 HydrophobicContact CE2-CG 4.42Å; Y13-L17 WeakPolarHBondContact O-CG 3.3Å; Y13-L17 PolarHBondContact O-N 3.49Å; Y13-L98 HydrophobicContact CD1-CB 4.19Å; Y13-L98 HydrophobicContact CD1-CD1 4.09Å; Y13-L98 HydrophobicContact CD1-CD2 4.02Å; Y13-L98 HydrophobicContact CD1-CG 4.33Å; Y13-L98 HydrophobicContact CE1-CB 4.11Å; Y13-L98 HydrophobicContact CG-CD1 4.21Å; Y13-P99 HydrophobicContact CE1-CG 4.09Å; Y13-P99 PolarHBondContact OH-O 3.24Å; Y13-F101 HydrophobicContact CE1-CE2 4.49Å; Y13-F101 WeakPolarHBondContact OH-CD2 3.42Å
14Y93.8Very high87.8Confident1 Ų163.2 Ų63.20%0.00433%0.334CS..Hα-helixtrans-68.3-31.4177.1-60-9.8000111.4L6 E10 K12 F18 Y70 L73 K74 P99L6-Y14 HydrophobicContact CD1-CD2 3.89Å; L6-Y14 HydrophobicContact CD1-CE2 4.37Å; L6-Y14 HydrophobicContact CD2-CD2 3.93Å; L6-Y14 HydrophobicContact CD2-CE2 3.53Å; E10-Y14 HydrophobicContact CB-CD2 4.22Å; E10-Y14 HydrophobicContact CB-CE2 3.79Å; E10-Y14 HydrophobicContact CG-CE2 4.16Å; E10-Y14 VanDerWaalsContact O-CB 3.28Å; E10-Y14 WeakPolarHBondContact O-CB 3.46Å; E10-Y14 PolarHBondContact O-N 2.79Å; E10-Y14 PolarHBondContact OE1-OH 3.2Å; K12-Y14 PolarHBondContact O-N 3.37Å; Y14-F18 WeakPolarHBondContact O-CB 3.46Å; Y14-F18 PolarHBondContact O-N 2.76Å; Y14-Y70 HydrophobicContact CD2-CG 4.38Å; Y14-Y70 WeakPolarHBondContact O-CE1 3.42Å; Y14-L73 HydrophobicContact CD1-CB 3.92Å; Y14-L73 HydrophobicContact CD1-CD1 3.56Å; Y14-L73 HydrophobicContact CD1-CG 4.36Å; Y14-L73 HydrophobicContact CD2-CB 4.38Å; Y14-L73 HydrophobicContact CE1-CB 3.94Å; Y14-L73 HydrophobicContact CE1-CD1 4.39Å; Y14-L73 HydrophobicContact CE2-CB 4.41Å; Y14-L73 HydrophobicContact CG-CB 4.18Å; Y14-L73 HydrophobicContact CG-CD1 3.67Å; Y14-K74 HydrophobicContact CE2-CB 4.35Å; Y14-P99 HydrophobicContact CE1-CG 3.79Å
15S91.8Very high87.9Confident30 Ų3067.7 Ų67.721%0.2136%0.359CS..Hα-helixtrans-67.3-41.2173.480.10000113Q11 K12 Y13 F18 V19 Y70Q11-S15 VanDerWaalsContact O-CB 3.23Å; Q11-S15 WeakPolarHBondContact O-CB 3.24Å; Q11-S15 PolarHBondContact O-N 3.48Å; Q11-S15 PolarHBondContact O-OG 3.07Å; K12-S15 WeakPolarHBondContact O-CB 3.08Å; K12-S15 PolarHBondContact O-N 3.39Å; K12-S15 VanDerWaalsContact O-N 3.08Å; K12-S15 PolarHBondContact O-OG 3.06Å; Y13-S15 VanDerWaalsContact C-N 3.31Å; Y13-S15 PolarHBondContact O-N 2.87Å; S15-F18 PolarHBondContact O-N 3.14Å; S15-V19 WeakPolarHBondContact O-CG2 3.5Å; S15-V19 PolarHBondContact O-N 3Å; S15-Y70 VanDerWaalsContact CA-OH 3.26Å; S15-Y70 WeakPolarHBondContact CA-OH 3.1Å; S15-Y70 VanDerWaalsContact CB-OH 3.29Å; S15-Y70 WeakPolarHBondContact CB-OH 3.41Å; S15-Y70 PolarHBondContact N-OH 2.61Å
16E92.8Very high87.9Confident107 Ų10767.9 Ų67.950%0.536%0.359SS..Hα-helixtrans-65.1-43.9176.5-70175.4-170.300110.6K12 Y13 F18 V19 Y20K12-E16 WeakPolarHBondContact CE-OE1 3.22Å; K12-E16 IonicContact NZ-OE1 3.2Å; K12-E16 PolarHBondContact O-N 3.44Å; Y13-E16 PolarHBondContact O-N 3.03Å; E16-F18 PolarHBondContact O-N 3.49Å; E16-V19 PolarHBondContact O-N 2.64Å; E16-Y20 PolarHBondContact O-N 3.39Å
17L91.6Very high87.8Confident21 Ų2174 Ų7411%0.1139%0.385CS..Hα-helixtrans-63.7-36.2173.7-70.8175.9000113.1Y13 Y20 C21 L38 F69 L73 F101Y13-L17 HydrophobicContact CD1-CD1 4.13Å; Y13-L17 HydrophobicContact CE1-CD1 3.71Å; Y13-L17 HydrophobicContact CE2-CD1 4.25Å; Y13-L17 HydrophobicContact CE2-CG 4.42Å; Y13-L17 WeakPolarHBondContact O-CG 3.3Å; Y13-L17 PolarHBondContact O-N 3.49Å; L17-Y20 PolarHBondContact O-N 3.02Å; L17-C21 PolarHBondContact O-N 3.18Å; L17-L38 HydrophobicContact CD2-CD1 4.1Å; L17-L38 HydrophobicContact CD2-CD2 4.45Å; L17-F69 HydrophobicContact CB-CE1 4.06Å; L17-F69 HydrophobicContact CB-CZ 4.34Å; L17-L73 HydrophobicContact CB-CD1 4.16Å; L17-L73 HydrophobicContact CD1-CD1 3.92Å; L17-L73 HydrophobicContact CD1-CD2 3.98Å; L17-F101 HydrophobicContact CD1-CD2 4.39Å; L17-F101 HydrophobicContact CD1-CE2 3.68Å; L17-F101 HydrophobicContact CD1-CZ 4.35Å
18F91.2Very high87.7Confident5 Ų576.3 Ų76.32%0.02239%0.387CS..Hα-helixtrans-66.7-44.2176.4-175.8-86000111.2Y14 S15 E16 Y20 C21 D22 V29 R66 F69 Y70Y14-F18 WeakPolarHBondContact O-CB 3.46Å; Y14-F18 PolarHBondContact O-N 2.76Å; S15-F18 PolarHBondContact O-N 3.14Å; E16-F18 PolarHBondContact O-N 3.49Å; F18-Y20 VanDerWaalsContact C-N 3.3Å; F18-Y20 PolarHBondContact O-N 2.87Å; F18-C21 CarbonylContact O-C 3.51Å; F18-C21 PolarHBondContact O-N 3.02Å; F18-D22 HydrophobicContact CD1-CB 4.23Å; F18-D22 HydrophobicContact CE1-CB 3.83Å; F18-D22 HydrophobicContact CZ-CB 4.39Å; F18-D22 PolarHBondContact O-N 3.23Å; F18-V29 HydrophobicContact CD2-CG1 4.09Å; F18-V29 HydrophobicContact CD2-CG2 4.43Å; F18-V29 HydrophobicContact CE1-CG1 4.44Å; F18-V29 HydrophobicContact CE2-CG1 3.75Å; F18-V29 HydrophobicContact CE2-CG2 4.08Å; F18-V29 HydrophobicContact CZ-CG1 3.95Å; F18-R66 HydrophobicContact CD1-CG 4.44Å; F18-R66 VanDerWaalsContact CD1-NH1 3.29Å; F18-R66 HydrophobicContact CD2-CB 4.3Å; F18-R66 HydrophobicContact CD2-CG 4.17Å; F18-R66 VanDerWaalsContact CE2-CA 3.44Å; F18-R66 HydrophobicContact CE2-CB 3.92Å; F18-R66 HydrophobicContact CE2-CG 4.26Å; F18-R66 HydrophobicContact CG-CG 4.26Å; F18-R66 HydrophobicContact CZ-CB 4.03Å; F18-R66 HydrophobicContact CZ-CG 4.42Å; F18-F69 HydrophobicContact CB-CD1 3.86Å; F18-F69 HydrophobicContact CB-CE1 3.87Å; F18-F69 HydrophobicContact CD2-CB 3.87Å; F18-F69 AromaticContact CD2-CD1 3.62Å; F18-F69 HydrophobicContact CD2-CD1 3.62Å; F18-F69 HydrophobicContact CD2-CE1 4.28Å; F18-F69 AromaticContact CD2-CG 3.85Å; F18-F69 HydrophobicContact CD2-CG 3.85Å; F18-F69 HydrophobicContact CE2-CB 4.22Å; F18-F69 HydrophobicContact CG-CD1 4.25Å; F18-Y70 HydrophobicContact CB-CE1 4.12Å
19V90.1Very high87.8Confident90 Ų9069.5 Ų69.555%0.54535%0.351SS..Hα-helixtrans-65.1-33.5176.7173.10000111.5S15 E16 C21S15-V19 WeakPolarHBondContact O-CG2 3.5Å; S15-V19 PolarHBondContact O-N 3Å; E16-V19 PolarHBondContact O-N 2.64Å; V19-C21 PolarHBondContact O-N 3.03Å
20Y89.6Confident87.6Confident82 Ų8267.2 Ų67.232%0.32234%0.342SS..Hα-helixtrans-64.1-26.4171.8-179.3-117.1000113.7E16 L17 F18 R34 E107E16-Y20 PolarHBondContact O-N 3.39Å; L17-Y20 PolarHBondContact O-N 3.02Å; F18-Y20 VanDerWaalsContact C-N 3.3Å; F18-Y20 PolarHBondContact O-N 2.87Å; Y20-R34 PolarHBondContact OH-NH1 3.07Å; Y20-E107 PolarHBondContact OH-OE2 3.35Å
21C87.6Confident87.2Confident9 Ų968.2 Ų68.26%0.06135%0.351CS..Hα-helixtrans-97.8-22.6178.7-71.90000114.5L17 F18 V19 T23 V29 R34 V35 F69L17-C21 PolarHBondContact O-N 3.18Å; F18-C21 CarbonylContact O-C 3.51Å; F18-C21 PolarHBondContact O-N 3.02Å; V19-C21 PolarHBondContact O-N 3.03Å; C21-T23 PolarHBondContact O-N 3.01Å; C21-V29 VanDerWaalsContact C-CG1 3.48Å; C21-V29 HydrophobicContact CB-CB 4.05Å; C21-V29 HydrophobicContact CB-CG1 3.65Å; C21-R34 HydrophobicContact CB-CB 4.41Å; C21-V35 HydrophobicContact CB-CG2 3.87Å; C21-F69 HydrophobicContact CB-CZ 4.41Å
22D87.4Confident86.7Confident11 Ų1168.9 Ų68.96%0.05936%0.357CS..  trans-93.261.3178-167.111.4000111.1F18 D24 N25 T26 K27 V29F18-D22 HydrophobicContact CD1-CB 4.23Å; F18-D22 HydrophobicContact CE1-CB 3.83Å; F18-D22 HydrophobicContact CZ-CB 4.39Å; F18-D22 PolarHBondContact O-N 3.23Å; D22-D24 PolarHBondContact O-N 3.46Å; D22-N25 PolarHBondContact O-N 3.06Å; D22-N25 PolarHBondContact OD1-N 3.02Å; D22-T26 PolarHBondContact OD1-N 2.87Å; D22-T26 PolarHBondContact OD1-OG1 3.49Å; D22-T26 VanDerWaalsContact OD1-OG1 3.11Å; D22-T26 PolarHBondContact OD2-N 3.12Å; D22-K27 WeakPolarHBondContact OD2-CA 3.44Å; D22-K27 PolarHBondContact OD2-N 3.17Å; D22-V29 HydrophobicContact CB-CG1 3.69Å
23T81.4Confident86.5Confident89 Ų8964.5 Ų64.555%0.54635%0.349SS..THydrogen-bonded Turntrans-55.1-22.6-177.940.50000114.3C21C21-T23 PolarHBondContact O-N 3.01Å
24D79.8Confident86.2Confident125 Ų12567.3 Ų67.367%0.66836%0.36SS*.THydrogen-bonded Turntrans-106.75.5-172.8-58.8-95.1000112.1D22 T26D22-D24 PolarHBondContact O-N 3.46Å; D24-T26 HydrophobicContact CB-CG2 3.74Å; D24-T26 PolarHBondContact O-N 3.02Å; D24-T26 VanDerWaalsContact O-N 3.16Å
25N80.7Confident86Confident129 Ų12967.4 Ų67.469%0.6936%0.36SS*.  trans51.432.4-178.6-69.8-44000114.3D22 K27D22-N25 PolarHBondContact O-N 3.06Å; D22-N25 PolarHBondContact OD1-N 3.02Å; N25-K27 PolarHBondContact O-N 2.87Å
26T79.6Confident85.8Confident84 Ų8469.5 Ų69.552%0.51537%0.369SS..  trans-80-3.7-174.966.60000113.7D22 D24 K28D22-T26 PolarHBondContact OD1-N 2.87Å; D22-T26 PolarHBondContact OD1-OG1 3.49Å; D22-T26 VanDerWaalsContact OD1-OG1 3.11Å; D22-T26 PolarHBondContact OD2-N 3.12Å; D24-T26 HydrophobicContact CB-CG2 3.74Å; D24-T26 PolarHBondContact O-N 3.02Å; D24-T26 VanDerWaalsContact O-N 3.16Å; T26-K28 PolarHBondContact O-N 3.45Å; T26-K28 PolarHBondContact OG1-N 3.46Å; T26-K28 PolarHBondContact OG1-O 3.25Å
27K82.6Confident85.6Confident172 Ų17268.5 Ų68.575%0.74837%0.366SS*.SBendtrans62.221.3-169.9-51.6-172178.8-170.20112.9D22 N25D22-K27 WeakPolarHBondContact OD2-CA 3.44Å; D22-K27 PolarHBondContact OD2-N 3.17Å; N25-K27 PolarHBondContact O-N 2.87Å
28K84.3Confident85.6Confident105 Ų10568.2 Ų68.246%0.45737%0.365SS..EExtended strand (participates in β ladder)trans-147.7136.1-177.5-67.7-180167.4-150.20109.3T26 H63 F64T26-K28 PolarHBondContact O-N 3.45Å; T26-K28 PolarHBondContact OG1-N 3.46Å; T26-K28 PolarHBondContact OG1-O 3.25Å; K28-H63 PolarHBondContact NZ-NE2 2.92Å; K28-F64 WeakPolarHBondContact CA-O 3.34Å
29V87.3Confident85.6Confident1 Ų168.1 Ų68.11%0.00637%0.365CS..EExtended strand (participates in β ladder)trans-111.3126.5175.9-60.90000109.2F18 C21 D22 V35 H63 F64 F69F18-V29 HydrophobicContact CD2-CG1 4.09Å; F18-V29 HydrophobicContact CD2-CG2 4.43Å; F18-V29 HydrophobicContact CE1-CG1 4.44Å; F18-V29 HydrophobicContact CE2-CG1 3.75Å; F18-V29 HydrophobicContact CE2-CG2 4.08Å; F18-V29 HydrophobicContact CZ-CG1 3.95Å; C21-V29 VanDerWaalsContact C-CG1 3.48Å; C21-V29 HydrophobicContact CB-CB 4.05Å; C21-V29 HydrophobicContact CB-CG1 3.65Å; D22-V29 HydrophobicContact CB-CG1 3.69Å; V29-V35 HydrophobicContact CB-CG2 3.69Å; V29-V35 HydrophobicContact CG2-CG2 3.64Å; V29-H63 CarbonylContact O-C 3.59Å; V29-H63 VanDerWaalsContact O-CA 3.28Å; V29-H63 WeakPolarHBondContact O-CA 3.49Å; V29-H63 WeakPolarHBondContact O-CB 3.23Å; V29-F64 HydrophobicContact CG2-CB 3.84Å; V29-F64 HydrophobicContact CG2-CD2 4.4Å; V29-F64 PolarHBondContact N-O 3.18Å; V29-F64 PolarHBondContact O-N 3.41Å; V29-F69 HydrophobicContact CG2-CB 4.35Å; V29-F69 HydrophobicContact CG2-CD2 3.61Å; V29-F69 HydrophobicContact CG2-CE2 4.11Å; V29-F69 HydrophobicContact CG2-CG 4.14Å
30A84.9Confident85.6Confident48 Ų4871.6 Ų71.640%0.39737%0.368SS..EExtended strand (participates in β ladder)trans-62.7146.6179.300000110.2N32 V35A30-N32 WeakPolarHBondContact CB-OD1 3.5Å; A30-N32 PolarHBondContact O-N 3.25Å; A30-V35 WeakPolarHBondContact O-CB 3.44Å; A30-V35 VanDerWaalsContact O-CG2 3.23Å; A30-V35 WeakPolarHBondContact O-CG2 3.2Å
31S81.6Confident85.7Confident37 Ų3768.7 Ų68.726%0.25936%0.361SS..SBendtrans-77.813.7-176.765.80000114G62S31-G62 PolarHBondContact N-O 2.94Å; S31-G62 PolarHBondContact OG-O 2.97Å
32N78.9Confident86Confident106 Ų10668.3 Ų68.357%0.56736%0.359SS*.SBendtrans-130.3176.7179.460.4-1.4000110.2A30 R34A30-N32 WeakPolarHBondContact CB-OD1 3.5Å; A30-N32 PolarHBondContact O-N 3.25Å; N32-R34 PolarHBondContact O-N 3.21Å
33G86.3Confident86.2Confident39 Ų3974.5 Ų74.540%0.40239%0.387SS..THydrogen-bonded Turntrans60.1-127-177.400000112.3V35 L36 D37G33-V35 VanDerWaalsContact C-N 3.25Å; G33-V35 PolarHBondContact O-N 2.89Å; G33-V35 VanDerWaalsContact O-N 3.08Å; G33-L36 WeakPolarHBondContact O-CA 3.37Å; G33-L36 WeakPolarHBondContact O-CB 3.18Å; G33-L36 PolarHBondContact O-N 3.18Å; G33-D37 PolarHBondContact O-N 3.48Å
34R85.9Confident86.6Confident123 Ų12371.6 Ų71.646%0.46437%0.368SS..Hα-helixtrans-47.4-41.7-174.6-68.4-73.2-175.5166.90.7114.1Y20 C21 N32 L38Y20-R34 PolarHBondContact OH-NH1 3.07Å; C21-R34 HydrophobicContact CB-CB 4.41Å; N32-R34 PolarHBondContact O-N 3.21Å; R34-L38 WeakPolarHBondContact O-CB 3.4Å; R34-L38 PolarHBondContact O-N 3.37Å
35V89.8Confident87.2Confident2 Ų269.6 Ų69.61%0.01236%0.362CS..Hα-helixtrans-70.8-40.7179.8-179.60000111.6C21 V29 A30 G33 D37 L38 F39 F64 F69C21-V35 HydrophobicContact CB-CG2 3.87Å; V29-V35 HydrophobicContact CB-CG2 3.69Å; V29-V35 HydrophobicContact CG2-CG2 3.64Å; A30-V35 WeakPolarHBondContact O-CB 3.44Å; A30-V35 VanDerWaalsContact O-CG2 3.23Å; A30-V35 WeakPolarHBondContact O-CG2 3.2Å; G33-V35 VanDerWaalsContact C-N 3.25Å; G33-V35 PolarHBondContact O-N 2.89Å; G33-V35 VanDerWaalsContact O-N 3.08Å; V35-D37 VanDerWaalsContact C-N 3.34Å; V35-L38 PolarHBondContact O-N 3.49Å; V35-F39 HydrophobicContact CG1-CD1 4.18Å; V35-F39 HydrophobicContact CG1-CD2 4.36Å; V35-F39 HydrophobicContact CG1-CE1 3.79Å; V35-F39 HydrophobicContact CG1-CE2 4.01Å; V35-F39 HydrophobicContact CG1-CG 4.45Å; V35-F39 HydrophobicContact CG1-CZ 3.68Å; V35-F39 WeakPolarHBondContact O-CB 3.48Å; V35-F39 VanDerWaalsContact O-CD1 3.3Å; V35-F39 WeakPolarHBondContact O-CD1 3.25Å; V35-F39 VanDerWaalsContact O-CG 3.31Å; V35-F39 WeakPolarHBondContact O-CG 3.43Å; V35-F39 PolarHBondContact O-N 3.39Å; V35-F64 HydrophobicContact CG1-CD2 4.03Å; V35-F64 HydrophobicContact CG1-CE2 3.68Å; V35-F64 HydrophobicContact CG1-CZ 4.43Å; V35-F69 HydrophobicContact CG1-CD2 4.4Å; V35-F69 HydrophobicContact CG1-CE2 4.1Å; V35-F69 HydrophobicContact CG2-CE2 4.11Å
36L88.1Confident87.5Confident75 Ų7568.3 Ų68.339%0.39336%0.363SS..Hα-helixtrans-66.9-37.2176.9-179.863.3000111.5G33 F39 R40G33-L36 WeakPolarHBondContact O-CA 3.37Å; G33-L36 WeakPolarHBondContact O-CB 3.18Å; G33-L36 PolarHBondContact O-N 3.18Å; L36-F39 PolarHBondContact O-N 2.99Å; L36-R40 VanDerWaalsContact O-CB 3.3Å; L36-R40 WeakPolarHBondContact O-CB 3.49Å; L36-R40 PolarHBondContact O-N 3.28Å
37D89.1Confident88Confident85 Ų8570.8 Ų70.846%0.45537%0.369SS..Hα-helixtrans-73.3-36176.6-65.4-39000112.2G33 V35 R40 A41G33-D37 PolarHBondContact O-N 3.48Å; V35-D37 VanDerWaalsContact C-N 3.34Å; D37-R40 PolarHBondContact O-N 3.11Å; D37-R40 IonicContact OD1-NE 2.79Å; D37-R40 IonicContact OD1-NH2 2.7Å; D37-A41 WeakPolarHBondContact O-CB 3.44Å; D37-A41 PolarHBondContact O-N 2.98Å
38L92.5Very high88.4Confident15 Ų1564.2 Ų64.28%0.07934%0.343CS..Hα-helixtrans-61.1-47.2168.6-177.866.9000111.1L17 R34 V35 R40 A41 A42 F69 L73 F101L17-L38 HydrophobicContact CD2-CD1 4.1Å; L17-L38 HydrophobicContact CD2-CD2 4.45Å; R34-L38 WeakPolarHBondContact O-CB 3.4Å; R34-L38 PolarHBondContact O-N 3.37Å; V35-L38 PolarHBondContact O-N 3.49Å; L38-R40 VanDerWaalsContact C-N 3.31Å; L38-R40 PolarHBondContact O-N 2.82Å; L38-A41 CarbonylContact O-C 3.57Å; L38-A41 WeakPolarHBondContact O-CB 3.19Å; L38-A41 PolarHBondContact O-N 3.43Å; L38-A41 VanDerWaalsContact O-N 3.12Å; L38-A42 PolarHBondContact O-N 3.37Å; L38-F69 HydrophobicContact CD2-CE2 4.2Å; L38-F69 HydrophobicContact CD2-CZ 3.74Å; L38-L73 HydrophobicContact CD2-CD2 4.36Å; L38-F101 HydrophobicContact CD1-CB 4.42Å; L38-F101 HydrophobicContact CD1-CD1 3.47Å; L38-F101 VanDerWaalsContact CD1-CD1 3.47Å; L38-F101 HydrophobicContact CD1-CD2 4.03Å; L38-F101 HydrophobicContact CD1-CE1 3.62Å; L38-F101 HydrophobicContact CD1-CE2 4.17Å; L38-F101 HydrophobicContact CD1-CG 3.68Å; L38-F101 HydrophobicContact CD1-CZ 3.98Å; L38-F101 HydrophobicContact CD2-CE1 4.5Å; L38-F101 HydrophobicContact CD2-CZ 4.5Å; L38-F101 HydrophobicContact CG-CD1 3.96Å; L38-F101 HydrophobicContact CG-CE1 3.65Å; L38-F101 HydrophobicContact CG-CZ 4.09Å; L38-F101 WeakPolarHBondContact O-CD1 3.3Å; L38-F101 WeakPolarHBondContact O-CE1 3.22Å
39F91.3Very high88.7Confident4 Ų460.1 Ų60.12%0.01833%0.327CS..Hα-helixtrans-70-28.8180-70.211.7000112V35 L36 A42 V49 F64 F69 A72 I76V35-F39 HydrophobicContact CG1-CD1 4.18Å; V35-F39 HydrophobicContact CG1-CD2 4.36Å; V35-F39 HydrophobicContact CG1-CE1 3.79Å; V35-F39 HydrophobicContact CG1-CE2 4.01Å; V35-F39 HydrophobicContact CG1-CG 4.45Å; V35-F39 HydrophobicContact CG1-CZ 3.68Å; V35-F39 WeakPolarHBondContact O-CB 3.48Å; V35-F39 VanDerWaalsContact O-CD1 3.3Å; V35-F39 WeakPolarHBondContact O-CD1 3.25Å; V35-F39 VanDerWaalsContact O-CG 3.31Å; V35-F39 WeakPolarHBondContact O-CG 3.43Å; V35-F39 PolarHBondContact O-N 3.39Å; L36-F39 PolarHBondContact O-N 2.99Å; F39-A42 VanDerWaalsContact O-CB 3.27Å; F39-A42 WeakPolarHBondContact O-CB 3.47Å; F39-A42 PolarHBondContact O-N 2.73Å; F39-V49 HydrophobicContact CB-CG1 3.83Å; F39-V49 HydrophobicContact CD2-CG1 4Å; F39-V49 HydrophobicContact CG-CG1 4.44Å; F39-F64 HydrophobicContact CE2-CE1 4.21Å; F39-F64 HydrophobicContact CE2-CE2 4.25Å; F39-F64 AromaticContact CE2-CZ 3.61Å; F39-F64 HydrophobicContact CE2-CZ 3.61Å; F39-F64 HydrophobicContact CZ-CE1 4.31Å; F39-F64 HydrophobicContact CZ-CE2 4.45Å; F39-F64 AromaticContact CZ-CZ 3.99Å; F39-F64 HydrophobicContact CZ-CZ 3.99Å; F39-F69 HydrophobicContact CE1-CE2 4.22Å; F39-A72 HydrophobicContact CE1-CB 4.46Å; F39-A72 HydrophobicContact CE2-CB 4.09Å; F39-A72 HydrophobicContact CZ-CB 3.54Å; F39-I76 HydrophobicContact CD1-CD1 3.54Å; F39-I76 HydrophobicContact CD2-CD1 4.41Å; F39-I76 HydrophobicContact CE1-CD1 3.69Å; F39-I76 HydrophobicContact CG-CD1 3.95Å; F39-I76 HydrophobicContact CZ-CD1 4.19Å
40R89.6Confident88.8Confident162 Ų16264.5 Ų64.561%0.61135%0.35SS*.Hα-helixtrans-65.9-42.3167.9-169.4-164.9-54.6-91.80.6111.4L36 D37 L38 A42 Q43L36-R40 VanDerWaalsContact O-CB 3.3Å; L36-R40 WeakPolarHBondContact O-CB 3.49Å; L36-R40 PolarHBondContact O-N 3.28Å; D37-R40 PolarHBondContact O-N 3.11Å; D37-R40 IonicContact OD1-NE 2.79Å; D37-R40 IonicContact OD1-NH2 2.7Å; L38-R40 VanDerWaalsContact C-N 3.31Å; L38-R40 PolarHBondContact O-N 2.82Å; R40-A42 PolarHBondContact O-N 2.99Å; R40-Q43 PolarHBondContact O-N 3.13Å
41A91.6Very high89.1Confident21 Ų2166.5 Ų66.517%0.17435%0.351CS..Hα-helixtrans-65.4-20.117500000112.9D37 L38 Q43 F101 V102D37-A41 WeakPolarHBondContact O-CB 3.44Å; D37-A41 PolarHBondContact O-N 2.98Å; L38-A41 CarbonylContact O-C 3.57Å; L38-A41 WeakPolarHBondContact O-CB 3.19Å; L38-A41 PolarHBondContact O-N 3.43Å; L38-A41 VanDerWaalsContact O-N 3.12Å; A41-Q43 PolarHBondContact O-N 3.02Å; A41-Q43 VanDerWaalsContact O-N 3.14Å; A41-F101 HydrophobicContact CB-CB 4.17Å; A41-F101 HydrophobicContact CB-CD1 4.29Å; A41-F101 CarbonylContact O-C 3.59Å; A41-F101 WeakPolarHBondContact O-CA 3.36Å; A41-V102 PolarHBondContact O-N 2.94Å
42A92.9Very high89.5Confident2 Ų264.8 Ų64.82%0.01734%0.339CS..THydrogen-bonded Turntrans-65.9-7.7169.900000113.6L38 F39 R40 L44 I76 Q80 F101L38-A42 PolarHBondContact O-N 3.37Å; F39-A42 VanDerWaalsContact O-CB 3.27Å; F39-A42 WeakPolarHBondContact O-CB 3.47Å; F39-A42 PolarHBondContact O-N 2.73Å; R40-A42 PolarHBondContact O-N 2.99Å; A42-L44 HydrophobicContact CB-CD1 4.48Å; A42-L44 HydrophobicContact CB-CG 4.34Å; A42-L44 PolarHBondContact O-N 3.4Å; A42-I76 HydrophobicContact CB-CD1 4.46Å; A42-I76 HydrophobicContact CB-CG2 3.68Å; A42-Q80 PolarHBondContact O-NE2 3.16Å; A42-F101 HydrophobicContact CB-CD1 4.04Å; A42-F101 HydrophobicContact CB-CE1 3.82Å
43Q91.3Very high90Very high141 Ų14160.6 Ų60.666%0.65932%0.317SS*.THydrogen-bonded Turntrans6211.8174.4-164.15191.500115.1R40 A41 V102R40-Q43 PolarHBondContact O-N 3.13Å; A41-Q43 PolarHBondContact O-N 3.02Å; A41-Q43 VanDerWaalsContact O-N 3.14Å; Q43-V102 HydrophobicContact CB-CG2 4.42Å
44L91.2Very high90.1Very high28 Ų2864 Ų6415%0.14732%0.322CS..  trans-74.1153.9176.4-65.2177.7000112.1A42 V48 V49 I52 I76 A79 Q80A42-L44 HydrophobicContact CB-CD1 4.48Å; A42-L44 HydrophobicContact CB-CG 4.34Å; A42-L44 PolarHBondContact O-N 3.4Å; L44-V48 HydrophobicContact CB-CB 4.48Å; L44-V48 HydrophobicContact CB-CG1 4.32Å; L44-V48 HydrophobicContact CD1-CG1 4.09Å; L44-V48 HydrophobicContact CD2-CG1 4.48Å; L44-V49 HydrophobicContact CB-CG2 3.87Å; L44-I52 HydrophobicContact CD1-CD1 3.89Å; L44-I76 HydrophobicContact CD1-CB 4.31Å; L44-I76 HydrophobicContact CD1-CG1 4.06Å; L44-I76 HydrophobicContact CD1-CG2 4.09Å; L44-A79 HydrophobicContact CD1-CB 3.8Å; L44-A79 HydrophobicContact CD2-CB 3.85Å; L44-Q80 HydrophobicContact CD2-CG 3.86Å; L44-Q80 HydrophobicContact CG-CG 4.32Å
45P91.4Very high90.1Very high83 Ų8361.2 Ų61.254%0.53932%0.316SS..  trans-59.2148.4171.4-21.332.2000112.2E47 V48 V49P45-E47 PolarHBondContact O-N 3.49Å; P45-V48 HydrophobicContact CB-CB 4.45Å; P45-V48 HydrophobicContact CB-CG2 4.02Å; P45-V48 HydrophobicContact CG-CG2 3.97Å; P45-V48 WeakPolarHBondContact O-CB 3.39Å; P45-V48 PolarHBondContact O-N 2.88Å; P45-V49 PolarHBondContact O-N 3.33Å
46S88Confident89.9Confident102 Ų10261.1 Ų61.171%0.71332%0.316SS*.Hα-helixtrans-57.1-36.3-178.752.10000113.5V49 L50S46-V49 PolarHBondContact O-N 2.99Å; S46-L50 WeakPolarHBondContact O-CB 3.48Å; S46-L50 PolarHBondContact O-N 3.18Å
47E89.5Confident89.4Confident135 Ų13558.4 Ų58.463%0.63131%0.307SS*.Hα-helixtrans-63.1-43.3176.9-16064.5-164.200111.9P45 L50 Q51P45-E47 PolarHBondContact O-N 3.49Å; E47-L50 PolarHBondContact O-N 3.13Å; E47-Q51 WeakPolarHBondContact O-CB 3.36Å; E47-Q51 PolarHBondContact O-N 3.48Å
48V91.2Very high88.7Confident35 Ų3554.4 Ų54.421%0.21229%0.285CS..Hα-helixtrans-65.9-41.4178.1179.30000110L44 P45 Q51 I52 A79 L85L44-V48 HydrophobicContact CB-CB 4.48Å; L44-V48 HydrophobicContact CB-CG1 4.32Å; L44-V48 HydrophobicContact CD1-CG1 4.09Å; L44-V48 HydrophobicContact CD2-CG1 4.48Å; P45-V48 HydrophobicContact CB-CB 4.45Å; P45-V48 HydrophobicContact CB-CG2 4.02Å; P45-V48 HydrophobicContact CG-CG2 3.97Å; P45-V48 WeakPolarHBondContact O-CB 3.39Å; P45-V48 PolarHBondContact O-N 2.88Å; V48-Q51 PolarHBondContact O-N 3.46Å; V48-I52 HydrophobicContact CG1-CD1 4.18Å; V48-I52 VanDerWaalsContact O-CG1 3.22Å; V48-I52 WeakPolarHBondContact O-CG1 3.46Å; V48-I52 PolarHBondContact O-N 2.94Å; V48-A79 HydrophobicContact CG1-CB 3.84Å; V48-L85 HydrophobicContact CG1-CD1 3.67Å
49V90.9Very high87.5Confident18 Ų1856.8 Ų56.811%0.10930%0.3CS..Hα-helixtrans-65.2-38.8175.3176.50000111.9F39 L44 P45 S46 T53F39-V49 HydrophobicContact CB-CG1 3.83Å; F39-V49 HydrophobicContact CD2-CG1 4Å; F39-V49 HydrophobicContact CG-CG1 4.44Å; L44-V49 HydrophobicContact CB-CG2 3.87Å; P45-V49 PolarHBondContact O-N 3.33Å; S46-V49 PolarHBondContact O-N 2.99Å; V49-T53 WeakPolarHBondContact O-CB 3.23Å; V49-T53 PolarHBondContact O-N 3.27Å; V49-T53 PolarHBondContact O-OG1 2.79Å
50L89.8Confident86.3Confident94 Ų9466.9 Ų66.949%0.49234%0.338SS..Hα-helixtrans-65.1-46.7175.3-176.862000111.1S46 E47 I52 T53 E54S46-L50 WeakPolarHBondContact O-CB 3.48Å; S46-L50 PolarHBondContact O-N 3.18Å; E47-L50 PolarHBondContact O-N 3.13Å; L50-I52 PolarHBondContact O-N 3.43Å; L50-T53 WeakPolarHBondContact O-CB 3.46Å; L50-T53 PolarHBondContact O-N 3.4Å; L50-T53 VanDerWaalsContact O-N 3.11Å; L50-E54 PolarHBondContact O-N 2.91Å
51Q89.6Confident85.3Confident89 Ų8963.3 Ų63.342%0.41633%0.331SS..Hα-helixtrans-57.7-45.4175.9-171.3-178.48.300111.7E47 V48 T53 E54 L55 L85E47-Q51 WeakPolarHBondContact O-CB 3.36Å; E47-Q51 PolarHBondContact O-N 3.48Å; V48-Q51 PolarHBondContact O-N 3.46Å; Q51-T53 VanDerWaalsContact C-N 3.32Å; Q51-T53 PolarHBondContact O-N 2.68Å; Q51-E54 PolarHBondContact O-N 3.39Å; Q51-L55 HydrophobicContact CG-CD1 4.19Å; Q51-L55 HydrophobicContact CG-CG 4.48Å; Q51-L55 WeakPolarHBondContact O-CB 3.31Å; Q51-L55 VanDerWaalsContact O-CG 3.29Å; Q51-L55 WeakPolarHBondContact O-CG 3.38Å; Q51-L55 PolarHBondContact O-N 2.9Å; Q51-L85 HydrophobicContact CB-CD1 4.27Å; Q51-L85 HydrophobicContact CG-CD1 4.2Å
52I91Very high84.7Confident1 Ų164.3 Ų64.31%0.00534%0.343CS..Hα-helixtrans-60-43.1175.1-68.1170.6000111.1L44 V48 L50 E54 L55 C56 A72 L75 I76 A79 L85L44-I52 HydrophobicContact CD1-CD1 3.89Å; V48-I52 HydrophobicContact CG1-CD1 4.18Å; V48-I52 VanDerWaalsContact O-CG1 3.22Å; V48-I52 WeakPolarHBondContact O-CG1 3.46Å; V48-I52 PolarHBondContact O-N 2.94Å; L50-I52 PolarHBondContact O-N 3.43Å; I52-E54 VanDerWaalsContact C-N 3.31Å; I52-E54 PolarHBondContact O-N 2.98Å; I52-L55 PolarHBondContact O-N 3.32Å; I52-C56 PolarHBondContact O-N 2.92Å; I52-C56 VanDerWaalsContact O-N 3.11Å; I52-C56 PolarHBondContact O-SG 3.17Å; I52-A72 HydrophobicContact CG2-CB 3.93Å; I52-L75 HydrophobicContact CD1-CB 4.29Å; I52-L75 HydrophobicContact CG1-CB 3.99Å; I52-L75 HydrophobicContact CG1-CD1 4.49Å; I52-L75 HydrophobicContact CG2-CB 3.99Å; I52-L75 HydrophobicContact CG2-CD1 4.15Å; I52-I76 HydrophobicContact CD1-CG1 3.82Å; I52-A79 HydrophobicContact CD1-CB 4.43Å; I52-L85 HydrophobicContact CD1-CD1 4.12Å; I52-L85 HydrophobicContact CD1-CD2 4.01Å; I52-L85 HydrophobicContact CG1-CD1 3.61Å; I52-L85 HydrophobicContact CG1-CD2 3.74Å; I52-L85 HydrophobicContact CG1-CG 4.36Å
53T89.4Confident84.4Confident19 Ų1966.3 Ų66.312%0.11735%0.352CS..Hα-helixtrans-65.7-33.7179.7-56.30000112.1V49 L50 Q51 A58 T59 F64V49-T53 WeakPolarHBondContact O-CB 3.23Å; V49-T53 PolarHBondContact O-N 3.27Å; V49-T53 PolarHBondContact O-OG1 2.79Å; L50-T53 WeakPolarHBondContact O-CB 3.46Å; L50-T53 PolarHBondContact O-N 3.4Å; L50-T53 VanDerWaalsContact O-N 3.11Å; Q51-T53 VanDerWaalsContact C-N 3.32Å; Q51-T53 PolarHBondContact O-N 2.68Å; T53-A58 HydrophobicContact CG2-CB 4.01Å; T53-A58 PolarHBondContact O-N 3.14Å; T53-A58 VanDerWaalsContact O-N 3.12Å; T53-T59 HydrophobicContact CG2-CG2 3.93Å; T53-T59 PolarHBondContact O-N 2.97Å; T53-F64 HydrophobicContact CG2-CE2 4.5Å; T53-F64 HydrophobicContact CG2-CZ 3.89Å
54E88.8Confident84.3Confident109 Ų10959.6 Ų59.651%0.50932%0.321SS..Hα-helixtrans-75.1-45174.2-178.2161.9-146.500112.8L50 Q51 I52 C56 G57 T59L50-E54 PolarHBondContact O-N 2.91Å; Q51-E54 PolarHBondContact O-N 3.39Å; I52-E54 VanDerWaalsContact C-N 3.31Å; I52-E54 PolarHBondContact O-N 2.98Å; E54-C56 PolarHBondContact O-N 3.29Å; E54-G57 WeakPolarHBondContact O-CA 3.45Å; E54-G57 PolarHBondContact O-N 3.41Å; E54-T59 HydrophobicContact CB-CG2 3.95Å
55L86.2Confident84.2Confident65 Ų6559 Ų5934%0.3432%0.322SS..Hα-helixtrans-58.8-31.2176.9-71174.4000112.4Q51 I52 G57 L75 L85 V87Q51-L55 HydrophobicContact CG-CD1 4.19Å; Q51-L55 HydrophobicContact CG-CG 4.48Å; Q51-L55 WeakPolarHBondContact O-CB 3.31Å; Q51-L55 VanDerWaalsContact O-CG 3.29Å; Q51-L55 WeakPolarHBondContact O-CG 3.38Å; Q51-L55 PolarHBondContact O-N 2.9Å; I52-L55 PolarHBondContact O-N 3.32Å; L55-G57 VanDerWaalsContact C-N 3.28Å; L55-G57 PolarHBondContact O-N 3.43Å; L55-L75 HydrophobicContact CB-CD1 3.89Å; L55-L75 HydrophobicContact CD1-CD1 4.03Å; L55-L85 HydrophobicContact CD1-CB 4.37Å; L55-V87 HydrophobicContact CB-CG2 4.43Å; L55-V87 HydrophobicContact CD2-CG2 4.01Å
56C85.1Confident84Confident0 Ų060.1 Ų60.10%032%0.315CS..THydrogen-bonded Turntrans-80.5-3.8174.2-60.70000114.1I52 E54 A58 F64 Q68 A72I52-C56 PolarHBondContact O-N 2.92Å; I52-C56 VanDerWaalsContact O-N 3.11Å; I52-C56 PolarHBondContact O-SG 3.17Å; E54-C56 PolarHBondContact O-N 3.29Å; C56-A58 PolarHBondContact O-N 2.68Å; C56-F64 HydrophobicContact CB-CD1 3.96Å; C56-F64 HydrophobicContact CB-CE1 3.71Å; C56-Q68 HydrophobicContact CB-CB 4.38Å; C56-Q68 WeakPolarHBondContact O-CG 3.48Å; C56-Q68 PolarHBondContact SG-O 3.1Å; C56-A72 VanDerWaalsContact SG-CA 3.53Å; C56-A72 VanDerWaalsContact SG-CB 3.57Å; C56-A72 PolarHBondContact SG-N 3.29Å; C56-A72 VanDerWaalsContact SG-N 3.42Å
57G76.9Confident84.1Confident19 Ų1958.7 Ų58.720%0.19631%0.305CS..THydrogen-bonded Turntrans75.11.4-177.500000115.3E54 L55 T59 R60E54-G57 WeakPolarHBondContact O-CA 3.45Å; E54-G57 PolarHBondContact O-N 3.41Å; L55-G57 VanDerWaalsContact C-N 3.28Å; L55-G57 PolarHBondContact O-N 3.43Å; G57-T59 VanDerWaalsContact C-N 3.31Å; G57-T59 PolarHBondContact O-N 2.97Å; G57-R60 PolarHBondContact O-N 2.94Å
58A74.3Confident84.1Confident0 Ų053.6 Ų53.60%028%0.281CS..Hα-helixtrans-68.7-28-173.600000112.7T53 C56 R60 L61 G62 F64T53-A58 HydrophobicContact CG2-CB 4.01Å; T53-A58 PolarHBondContact O-N 3.14Å; T53-A58 VanDerWaalsContact O-N 3.12Å; C56-A58 PolarHBondContact O-N 2.68Å; A58-R60 PolarHBondContact O-N 2.7Å; A58-L61 PolarHBondContact O-N 2.88Å; A58-L61 VanDerWaalsContact O-N 3.13Å; A58-G62 PolarHBondContact O-N 2.68Å; A58-F64 HydrophobicContact CB-CD1 3.64Å; A58-F64 HydrophobicContact CB-CD2 3.86Å; A58-F64 HydrophobicContact CB-CE1 3.5Å; A58-F64 VanDerWaalsContact CB-CE1 3.5Å; A58-F64 HydrophobicContact CB-CE2 3.72Å; A58-F64 HydrophobicContact CB-CG 3.81Å; A58-F64 HydrophobicContact CB-CZ 3.54Å
59T67.8Low84.1Confident65 Ų6551.9 Ų51.940%0.39927%0.271SS..Hα-helixtrans-56.5-31.3172.752.70000113.5T53 E54 G57T53-T59 HydrophobicContact CG2-CG2 3.93Å; T53-T59 PolarHBondContact O-N 2.97Å; E54-T59 HydrophobicContact CB-CG2 3.95Å; G57-T59 VanDerWaalsContact C-N 3.31Å; G57-T59 PolarHBondContact O-N 2.97Å
60R65.3Low84.2Confident217 Ų21751.8 Ų51.882%0.81927%0.269SS*.Hα-helixtrans-91.4-15.1179.9-57.6-173.4-175.3-153.50.3113.5G57 A58G57-R60 PolarHBondContact O-N 2.94Å; A58-R60 PolarHBondContact O-N 2.7Å
61L69.7Low84.3Confident86 Ų8647.9 Ų47.945%0.4525%0.248SC..Hα-helixtrans-110-22.3-174.5-69.7172.2000113.4A58 H63A58-L61 PolarHBondContact O-N 2.88Å; A58-L61 VanDerWaalsContact O-N 3.13Å; L61-H63 PolarHBondContact O-CE1 3.36Å; L61-H63 PolarHBondContact O-N 3.45Å; L61-H63 PolarHBondContact O-ND1 3.39Å
62G79.4Confident84.4Confident42 Ų4243.6 Ų43.643%0.43323%0.228SC..SBendtrans70.43.6-171.400000114.5S31 A58S31-G62 PolarHBondContact N-O 2.94Å; S31-G62 PolarHBondContact OG-O 2.97Å; A58-G62 PolarHBondContact O-N 2.68Å
63H85.9Confident84.5Confident44 Ų4443.6 Ų43.620%0.20423%0.228CC..EExtended strand (participates in β ladder)trans-153.6155.1-179.263.9-80.5000110.7K28 V29 L61K28-H63 PolarHBondContact NZ-NE2 2.92Å; V29-H63 CarbonylContact O-C 3.59Å; V29-H63 VanDerWaalsContact O-CA 3.28Å; V29-H63 WeakPolarHBondContact O-CA 3.49Å; V29-H63 WeakPolarHBondContact O-CB 3.23Å; L61-H63 PolarHBondContact O-CE1 3.36Å; L61-H63 PolarHBondContact O-N 3.45Å; L61-H63 PolarHBondContact O-ND1 3.39Å
64F88.2Confident84.6Confident1 Ų143 Ų430%0.00422%0.224CC..EExtended strand (participates in β ladder)trans-99.3130.8166.8-57.6-103.5000109.4K28 V29 V35 F39 T53 C56 A58 Q68 F69 A72K28-F64 WeakPolarHBondContact CA-O 3.34Å; V29-F64 HydrophobicContact CG2-CB 3.84Å; V29-F64 HydrophobicContact CG2-CD2 4.4Å; V29-F64 PolarHBondContact N-O 3.18Å; V29-F64 PolarHBondContact O-N 3.41Å; V35-F64 HydrophobicContact CG1-CD2 4.03Å; V35-F64 HydrophobicContact CG1-CE2 3.68Å; V35-F64 HydrophobicContact CG1-CZ 4.43Å; F39-F64 HydrophobicContact CE2-CE1 4.21Å; F39-F64 HydrophobicContact CE2-CE2 4.25Å; F39-F64 AromaticContact CE2-CZ 3.61Å; F39-F64 HydrophobicContact CE2-CZ 3.61Å; F39-F64 HydrophobicContact CZ-CE1 4.31Å; F39-F64 HydrophobicContact CZ-CE2 4.45Å; F39-F64 AromaticContact CZ-CZ 3.99Å; F39-F64 HydrophobicContact CZ-CZ 3.99Å; T53-F64 HydrophobicContact CG2-CE2 4.5Å; T53-F64 HydrophobicContact CG2-CZ 3.89Å; C56-F64 HydrophobicContact CB-CD1 3.96Å; C56-F64 HydrophobicContact CB-CE1 3.71Å; A58-F64 HydrophobicContact CB-CD1 3.64Å; A58-F64 HydrophobicContact CB-CD2 3.86Å; A58-F64 HydrophobicContact CB-CE1 3.5Å; A58-F64 VanDerWaalsContact CB-CE1 3.5Å; A58-F64 HydrophobicContact CB-CE2 3.72Å; A58-F64 HydrophobicContact CB-CG 3.81Å; A58-F64 HydrophobicContact CB-CZ 3.54Å; F64-Q68 HydrophobicContact CB-CB 4.17Å; F64-Q68 HydrophobicContact CD1-CB 4.16Å; F64-F69 HydrophobicContact CB-CB 4.02Å; F64-A72 HydrophobicContact CD1-CB 4.36Å; F64-A72 HydrophobicContact CE1-CB 3.92Å
65G89Confident84.8Confident16 Ų1637.9 Ų37.917%0.16520%0.2CC..EExtended strand (participates in β ladder)trans-72.3165.4156.300000111.3S67 Q68 F69G65-S67 VanDerWaalsContact C-N 3.35Å; G65-S67 PolarHBondContact O-N 3.38Å; G65-Q68 WeakPolarHBondContact O-CB 3.3Å; G65-Q68 PolarHBondContact O-N 3.43Å; G65-F69 PolarHBondContact O-N 2.61Å
66R88.6Confident85.1Confident105 Ų10534.9 Ų34.940%0.39618%0.184SC..Hα-helixtrans-51.9-46.2-176.3-168.2174.4179.392.6-12.6114F18 F69 Y70F18-R66 HydrophobicContact CD1-CG 4.44Å; F18-R66 VanDerWaalsContact CD1-NH1 3.29Å; F18-R66 HydrophobicContact CD2-CB 4.3Å; F18-R66 HydrophobicContact CD2-CG 4.17Å; F18-R66 VanDerWaalsContact CE2-CA 3.44Å; F18-R66 HydrophobicContact CE2-CB 3.92Å; F18-R66 HydrophobicContact CE2-CG 4.26Å; F18-R66 HydrophobicContact CG-CG 4.26Å; F18-R66 HydrophobicContact CZ-CB 4.03Å; F18-R66 HydrophobicContact CZ-CG 4.42Å; R66-F69 PolarHBondContact O-N 2.97Å; R66-Y70 HydrophobicContact CG-CE1 3.92Å; R66-Y70 HydrophobicContact CG-CE2 4.24Å; R66-Y70 PolarHBondContact NE-OH 3.14Å; R66-Y70 VanDerWaalsContact NE-OH 3.13Å; R66-Y70 PolarHBondContact NH2-OH 3.01Å; R66-Y70 VanDerWaalsContact O-CD1 3.24Å; R66-Y70 WeakPolarHBondContact O-CD1 3.04Å; R66-Y70 VanDerWaalsContact O-CG 3.31Å; R66-Y70 PolarHBondContact O-N 3.4Å
67S88.6Confident85.4Confident73 Ų7334.9 Ų34.951%0.5118%0.184SC..Hα-helixtrans-64.7-42.8175.550.20000113.1G65 F69 Y70 I71G65-S67 VanDerWaalsContact C-N 3.35Å; G65-S67 PolarHBondContact O-N 3.38Å; S67-F69 VanDerWaalsContact C-N 3.3Å; S67-F69 PolarHBondContact O-N 3.16Å; S67-Y70 PolarHBondContact O-N 3.18Å; S67-I71 VanDerWaalsContact O-CG1 3.29Å; S67-I71 WeakPolarHBondContact O-CG1 3.26Å; S67-I71 PolarHBondContact O-N 3.3Å
68Q90.3Very high86.1Confident27 Ų2734 Ų3413%0.12618%0.175CC..Hα-helixtrans-63.2-36.8177.3-64.7169.8-23.900111.8M1 C56 F64 G65 A72M1-Q68 HydrophobicContact CE-CG 4.15Å; M1-Q68 HydrophobicContact SD-CG 4.11Å; C56-Q68 HydrophobicContact CB-CB 4.38Å; C56-Q68 WeakPolarHBondContact O-CG 3.48Å; C56-Q68 PolarHBondContact SG-O 3.1Å; F64-Q68 HydrophobicContact CB-CB 4.17Å; F64-Q68 HydrophobicContact CD1-CB 4.16Å; G65-Q68 WeakPolarHBondContact O-CB 3.3Å; G65-Q68 PolarHBondContact O-N 3.43Å; Q68-A72 PolarHBondContact O-N 3.31Å
69F91.8Very high86.9Confident0 Ų034.9 Ų34.90%018%0.183CC..Hα-helixtrans-68.8-40.1174.8-175-102000111.8L17 F18 C21 V29 V35 L38 F39 F64 G65 R66 S67 A72 L73L17-F69 HydrophobicContact CB-CE1 4.06Å; L17-F69 HydrophobicContact CB-CZ 4.34Å; F18-F69 HydrophobicContact CB-CD1 3.86Å; F18-F69 HydrophobicContact CB-CE1 3.87Å; F18-F69 HydrophobicContact CD2-CB 3.87Å; F18-F69 AromaticContact CD2-CD1 3.62Å; F18-F69 HydrophobicContact CD2-CD1 3.62Å; F18-F69 HydrophobicContact CD2-CE1 4.28Å; F18-F69 AromaticContact CD2-CG 3.85Å; F18-F69 HydrophobicContact CD2-CG 3.85Å; F18-F69 HydrophobicContact CE2-CB 4.22Å; F18-F69 HydrophobicContact CG-CD1 4.25Å; C21-F69 HydrophobicContact CB-CZ 4.41Å; V29-F69 HydrophobicContact CG2-CB 4.35Å; V29-F69 HydrophobicContact CG2-CD2 3.61Å; V29-F69 HydrophobicContact CG2-CE2 4.11Å; V29-F69 HydrophobicContact CG2-CG 4.14Å; V35-F69 HydrophobicContact CG1-CD2 4.4Å; V35-F69 HydrophobicContact CG1-CE2 4.1Å; V35-F69 HydrophobicContact CG2-CE2 4.11Å; L38-F69 HydrophobicContact CD2-CE2 4.2Å; L38-F69 HydrophobicContact CD2-CZ 3.74Å; F39-F69 HydrophobicContact CE1-CE2 4.22Å; F64-F69 HydrophobicContact CB-CB 4.02Å; G65-F69 PolarHBondContact O-N 2.61Å; R66-F69 PolarHBondContact O-N 2.97Å; S67-F69 VanDerWaalsContact C-N 3.3Å; S67-F69 PolarHBondContact O-N 3.16Å; F69-A72 WeakPolarHBondContact O-CB 3.44Å; F69-A72 PolarHBondContact O-N 2.82Å; F69-L73 HydrophobicContact CD1-CD1 3.82Å; F69-L73 HydrophobicContact CD1-CG 4.3Å; F69-L73 HydrophobicContact CE1-CD1 3.5Å; F69-L73 HydrophobicContact CE1-CG 4.11Å; F69-L73 HydrophobicContact CZ-CD1 4.22Å; F69-L73 HydrophobicContact CZ-CD2 4.49Å; F69-L73 HydrophobicContact CZ-CG 4.47Å; F69-L73 WeakPolarHBondContact O-CG 3.3Å; F69-L73 PolarHBondContact O-N 3.07Å
70Y92.2Very high88Confident15 Ų1534.7 Ų34.76%0.05918%0.177CC..Hα-helixtrans-66.2-39.7175.4-66.41.1000112L6 Y14 S15 F18 R66 S67 A72 L73 K74L6-Y70 HydrophobicContact CD1-CD2 3.63Å; L6-Y70 HydrophobicContact CD1-CE2 4.23Å; L6-Y70 HydrophobicContact CD1-CG 4.28Å; Y14-Y70 HydrophobicContact CD2-CG 4.38Å; Y14-Y70 WeakPolarHBondContact O-CE1 3.42Å; S15-Y70 VanDerWaalsContact CA-OH 3.26Å; S15-Y70 WeakPolarHBondContact CA-OH 3.1Å; S15-Y70 VanDerWaalsContact CB-OH 3.29Å; S15-Y70 WeakPolarHBondContact CB-OH 3.41Å; S15-Y70 PolarHBondContact N-OH 2.61Å; F18-Y70 HydrophobicContact CB-CE1 4.12Å; R66-Y70 HydrophobicContact CG-CE1 3.92Å; R66-Y70 HydrophobicContact CG-CE2 4.24Å; R66-Y70 PolarHBondContact NE-OH 3.14Å; R66-Y70 VanDerWaalsContact NE-OH 3.13Å; R66-Y70 PolarHBondContact NH2-OH 3.01Å; R66-Y70 VanDerWaalsContact O-CD1 3.24Å; R66-Y70 WeakPolarHBondContact O-CD1 3.04Å; R66-Y70 VanDerWaalsContact O-CG 3.31Å; R66-Y70 PolarHBondContact O-N 3.4Å; S67-Y70 PolarHBondContact O-N 3.18Å; Y70-A72 VanDerWaalsContact C-N 3.31Å; Y70-A72 PolarHBondContact O-N 3.28Å; Y70-L73 PolarHBondContact O-N 3.42Å; Y70-K74 PolarHBondContact O-N 3.18Å
71I91.6Very high89.2Confident12 Ų1226.6 Ų26.66%0.06215%0.154CC..Hα-helixtrans-58.5-45.6171.1-68.1166.1000109.5M1 L4 S67 L73 K74 L75 L90M1-I71 HydrophobicContact SD-CD1 4.32Å; L4-I71 HydrophobicContact CB-CG1 4.4Å; L4-I71 HydrophobicContact CD1-CG1 4.34Å; L4-I71 HydrophobicContact CD2-CG1 3.99Å; L4-I71 HydrophobicContact CG-CG1 4.5Å; S67-I71 VanDerWaalsContact O-CG1 3.29Å; S67-I71 WeakPolarHBondContact O-CG1 3.26Å; S67-I71 PolarHBondContact O-N 3.3Å; I71-L73 PolarHBondContact O-N 2.93Å; I71-K74 PolarHBondContact O-N 2.95Å; I71-L75 HydrophobicContact CG2-CD1 4.05Å; I71-L75 HydrophobicContact CG2-CG 4.26Å; I71-L75 WeakPolarHBondContact O-CB 3.45Å; I71-L75 WeakPolarHBondContact O-CG 3.36Å; I71-L75 PolarHBondContact O-N 3.05Å; I71-L90 HydrophobicContact CG2-CD1 3.79Å
72A92.6Very high90Very high0 Ų025.8 Ų25.80%017%0.167CC..Hα-helixtrans-60.4-44.2177.700000112.4F39 I52 C56 F64 Q68 F69 Y70 L75 I76F39-A72 HydrophobicContact CE1-CB 4.46Å; F39-A72 HydrophobicContact CE2-CB 4.09Å; F39-A72 HydrophobicContact CZ-CB 3.54Å; I52-A72 HydrophobicContact CG2-CB 3.93Å; C56-A72 VanDerWaalsContact SG-CA 3.53Å; C56-A72 VanDerWaalsContact SG-CB 3.57Å; C56-A72 PolarHBondContact SG-N 3.29Å; C56-A72 VanDerWaalsContact SG-N 3.42Å; F64-A72 HydrophobicContact CD1-CB 4.36Å; F64-A72 HydrophobicContact CE1-CB 3.92Å; Q68-A72 PolarHBondContact O-N 3.31Å; F69-A72 WeakPolarHBondContact O-CB 3.44Å; F69-A72 PolarHBondContact O-N 2.82Å; Y70-A72 VanDerWaalsContact C-N 3.31Å; Y70-A72 PolarHBondContact O-N 3.28Å; A72-L75 PolarHBondContact O-N 2.78Å; A72-I76 VanDerWaalsContact O-CG1 3.26Å; A72-I76 WeakPolarHBondContact O-CG1 3.48Å; A72-I76 PolarHBondContact O-N 2.8Å
73L93.6Very high90.3Very high0 Ų027.1 Ų27.10%016%0.164CC..Hα-helixtrans-62.8-41.3177.1-69.8177000112.4Y14 L17 L38 F69 Y70 I71 I76 A77 P99 F101Y14-L73 HydrophobicContact CD1-CB 3.92Å; Y14-L73 HydrophobicContact CD1-CD1 3.56Å; Y14-L73 HydrophobicContact CD1-CG 4.36Å; Y14-L73 HydrophobicContact CD2-CB 4.38Å; Y14-L73 HydrophobicContact CE1-CB 3.94Å; Y14-L73 HydrophobicContact CE1-CD1 4.39Å; Y14-L73 HydrophobicContact CE2-CB 4.41Å; Y14-L73 HydrophobicContact CG-CB 4.18Å; Y14-L73 HydrophobicContact CG-CD1 3.67Å; L17-L73 HydrophobicContact CB-CD1 4.16Å; L17-L73 HydrophobicContact CD1-CD1 3.92Å; L17-L73 HydrophobicContact CD1-CD2 3.98Å; L38-L73 HydrophobicContact CD2-CD2 4.36Å; F69-L73 HydrophobicContact CD1-CD1 3.82Å; F69-L73 HydrophobicContact CD1-CG 4.3Å; F69-L73 HydrophobicContact CE1-CD1 3.5Å; F69-L73 HydrophobicContact CE1-CG 4.11Å; F69-L73 HydrophobicContact CZ-CD1 4.22Å; F69-L73 HydrophobicContact CZ-CD2 4.49Å; F69-L73 HydrophobicContact CZ-CG 4.47Å; F69-L73 WeakPolarHBondContact O-CG 3.3Å; F69-L73 PolarHBondContact O-N 3.07Å; Y70-L73 PolarHBondContact O-N 3.42Å; I71-L73 PolarHBondContact O-N 2.93Å; L73-I76 WeakPolarHBondContact O-CB 3.16Å; L73-I76 PolarHBondContact O-N 2.8Å; L73-A77 PolarHBondContact O-N 3.3Å; L73-P99 HydrophobicContact CB-CG 4.34Å; L73-F101 HydrophobicContact CD2-CE2 4.28Å; L73-F101 HydrophobicContact CD2-CZ 3.65Å
74K91.2Very high90.2Very high8 Ų828.9 Ų28.94%0.03518%0.179CC..Hα-helixtrans-72.7-33.9177.2-153.8175.7-165.4-175.40112.3L4 T5 L6 E10 Y14 Y70 I71 I76 A77 I78 L90 L96L4-K74 HydrophobicContact CD1-CD 3.78Å; L4-K74 HydrophobicContact CG-CD 4.43Å; T5-K74 PolarHBondContact O-NZ 3.27Å; L6-K74 HydrophobicContact CD2-CD 4.02Å; E10-K74 WeakPolarHBondContact OE1-CE 3.33Å; E10-K74 IonicContact OE1-NZ 3Å; Y14-K74 HydrophobicContact CE2-CB 4.35Å; Y70-K74 PolarHBondContact O-N 3.18Å; I71-K74 PolarHBondContact O-N 2.95Å; K74-I76 VanDerWaalsContact C-N 3.35Å; K74-A77 WeakPolarHBondContact O-CB 3.29Å; K74-A77 PolarHBondContact O-N 3.48Å; K74-I78 WeakPolarHBondContact O-CG1 3.42Å; K74-I78 PolarHBondContact O-N 3.36Å; K74-L90 HydrophobicContact CB-CD2 3.84Å; K74-L90 HydrophobicContact CD-CD2 4.31Å; K74-L90 WeakPolarHBondContact CD-O 3.32Å; K74-L90 WeakPolarHBondContact CE-O 3.36Å; K74-L90 HydrophobicContact CG-CD2 4.16Å; K74-L90 PolarHBondContact NZ-O 3.1Å; K74-L96 HydrophobicContact CG-CD1 3.98Å
75L91.9Very high90Very high0 Ų030.1 Ų30.10%019%0.185CC..Hα-helixtrans-64.1-36.6168.3-71.9179.5000112.3I52 L55 I71 A72 I78 A79 L85 L90I52-L75 HydrophobicContact CD1-CB 4.29Å; I52-L75 HydrophobicContact CG1-CB 3.99Å; I52-L75 HydrophobicContact CG1-CD1 4.49Å; I52-L75 HydrophobicContact CG2-CB 3.99Å; I52-L75 HydrophobicContact CG2-CD1 4.15Å; L55-L75 HydrophobicContact CB-CD1 3.89Å; L55-L75 HydrophobicContact CD1-CD1 4.03Å; I71-L75 HydrophobicContact CG2-CD1 4.05Å; I71-L75 HydrophobicContact CG2-CG 4.26Å; I71-L75 WeakPolarHBondContact O-CB 3.45Å; I71-L75 WeakPolarHBondContact O-CG 3.36Å; I71-L75 PolarHBondContact O-N 3.05Å; A72-L75 PolarHBondContact O-N 2.78Å; L75-I78 HydrophobicContact CD2-CD1 4.41Å; L75-I78 PolarHBondContact O-N 3.01Å; L75-A79 PolarHBondContact O-N 2.87Å; L75-L85 HydrophobicContact CB-CD2 3.9Å; L75-L85 HydrophobicContact CD2-CD2 4.03Å; L75-L85 HydrophobicContact CG-CD2 4.45Å; L75-L85 WeakPolarHBondContact O-CD2 3.24Å; L75-L90 HydrophobicContact CD2-CD2 3.8Å; L75-L90 HydrophobicContact CD2-CG 4.2Å; L75-L90 HydrophobicContact CG-CD2 3.98Å
76I93Very high89.6Confident2 Ų235.8 Ų35.81%0.0120%0.202CC..Hα-helixtrans-62.6-43.9172.7-72.8166.4000110.4F39 A42 L44 I52 A72 L73 K74 I78 A79 Q80 P99F39-I76 HydrophobicContact CD1-CD1 3.54Å; F39-I76 HydrophobicContact CD2-CD1 4.41Å; F39-I76 HydrophobicContact CE1-CD1 3.69Å; F39-I76 HydrophobicContact CG-CD1 3.95Å; F39-I76 HydrophobicContact CZ-CD1 4.19Å; A42-I76 HydrophobicContact CB-CD1 4.46Å; A42-I76 HydrophobicContact CB-CG2 3.68Å; L44-I76 HydrophobicContact CD1-CB 4.31Å; L44-I76 HydrophobicContact CD1-CG1 4.06Å; L44-I76 HydrophobicContact CD1-CG2 4.09Å; I52-I76 HydrophobicContact CD1-CG1 3.82Å; A72-I76 VanDerWaalsContact O-CG1 3.26Å; A72-I76 WeakPolarHBondContact O-CG1 3.48Å; A72-I76 PolarHBondContact O-N 2.8Å; L73-I76 WeakPolarHBondContact O-CB 3.16Å; L73-I76 PolarHBondContact O-N 2.8Å; K74-I76 VanDerWaalsContact C-N 3.35Å; I76-I78 PolarHBondContact O-N 3.04Å; I76-A79 PolarHBondContact O-N 3.28Å; I76-Q80 HydrophobicContact CG2-CG 4.3Å; I76-Q80 WeakPolarHBondContact O-CB 3.45Å; I76-Q80 VanDerWaalsContact O-CG 3.31Å; I76-Q80 WeakPolarHBondContact O-CG 3.41Å; I76-Q80 PolarHBondContact O-N 3.37Å; I76-P99 HydrophobicContact CB-CB 4.29Å; I76-P99 HydrophobicContact CG2-CB 3.72Å
77A92.3Very high89.1Confident0 Ų033 Ų330%020%0.196CC..Hα-helixtrans-61.1-41.7175.500000112.6L73 K74 Q80 S81 P97 P99L73-A77 PolarHBondContact O-N 3.3Å; K74-A77 WeakPolarHBondContact O-CB 3.29Å; K74-A77 PolarHBondContact O-N 3.48Å; A77-Q80 PolarHBondContact O-N 2.86Å; A77-S81 WeakPolarHBondContact O-CB 3.18Å; A77-S81 PolarHBondContact O-N 3.41Å; A77-S81 PolarHBondContact O-OG 3.47Å; A77-P97 WeakPolarHBondContact CB-O 3.34Å; A77-P99 HydrophobicContact CB-CB 4.23Å
78I90.9Very high88.4Confident0 Ų035 Ų350%020%0.198CC..Hα-helixtrans-59.4-51.4173.8-72.7169000110.6K74 L75 I76 Q80 S81 G82 L83 L85 L90 L96K74-I78 WeakPolarHBondContact O-CG1 3.42Å; K74-I78 PolarHBondContact O-N 3.36Å; L75-I78 HydrophobicContact CD2-CD1 4.41Å; L75-I78 PolarHBondContact O-N 3.01Å; I76-I78 PolarHBondContact O-N 3.04Å; I78-Q80 PolarHBondContact O-N 3.12Å; I78-S81 CarbonylContact O-C 3.37Å; I78-S81 WeakPolarHBondContact O-CB 3.24Å; I78-S81 PolarHBondContact O-N 3.15Å; I78-S81 VanDerWaalsContact O-N 3.13Å; I78-G82 PolarHBondContact O-N 3.16Å; I78-L83 HydrophobicContact CG2-CB 3.74Å; I78-L83 WeakPolarHBondContact O-CB 3.33Å; I78-L83 PolarHBondContact O-N 3.02Å; I78-L85 HydrophobicContact CG2-CD2 4.5Å; I78-L90 HydrophobicContact CD1-CD2 4.02Å; I78-L96 HydrophobicContact CD1-CD1 4.26Å; I78-L96 HydrophobicContact CG1-CD1 3.66Å; I78-L96 HydrophobicContact CG1-CD2 3.96Å; I78-L96 HydrophobicContact CG1-CG 4.48Å
79A91.5Very high87.7Confident20 Ų2034.1 Ų34.117%0.16519%0.194CC..Hα-helixtrans-64.1-39.6179.700000113.1L44 V48 I52 L75 I76 S81 G82 L85L44-A79 HydrophobicContact CD1-CB 3.8Å; L44-A79 HydrophobicContact CD2-CB 3.85Å; V48-A79 HydrophobicContact CG1-CB 3.84Å; I52-A79 HydrophobicContact CD1-CB 4.43Å; L75-A79 PolarHBondContact O-N 2.87Å; I76-A79 PolarHBondContact O-N 3.28Å; A79-S81 PolarHBondContact O-N 3.38Å; A79-G82 PolarHBondContact O-N 3.14Å; A79-G82 VanDerWaalsContact O-N 3.07Å; A79-L85 HydrophobicContact CB-CD2 4.04Å; A79-L85 HydrophobicContact CB-CG 4.32Å
80Q91.3Very high87.2Confident60 Ų6034.5 Ų34.528%0.2820%0.196SC..Hα-helixtrans-67.7-24.7174.7-73.8-176-12.200113.2A42 L44 I76 A77 I78 G82 R100A42-Q80 PolarHBondContact O-NE2 3.16Å; L44-Q80 HydrophobicContact CD2-CG 3.86Å; L44-Q80 HydrophobicContact CG-CG 4.32Å; I76-Q80 HydrophobicContact CG2-CG 4.3Å; I76-Q80 WeakPolarHBondContact O-CB 3.45Å; I76-Q80 VanDerWaalsContact O-CG 3.31Å; I76-Q80 WeakPolarHBondContact O-CG 3.41Å; I76-Q80 PolarHBondContact O-N 3.37Å; A77-Q80 PolarHBondContact O-N 2.86Å; I78-Q80 PolarHBondContact O-N 3.12Å; Q80-G82 PolarHBondContact O-N 3.03Å; Q80-R100 PolarHBondContact NE2-O 3.49Å
81S89.5Confident86.6Confident47 Ų4736.1 Ų36.133%0.32921%0.206SC..THydrogen-bonded Turntrans-81.41.4172.3-54.60000113A77 I78 A79 L83 P97A77-S81 WeakPolarHBondContact O-CB 3.18Å; A77-S81 PolarHBondContact O-N 3.41Å; A77-S81 PolarHBondContact O-OG 3.47Å; I78-S81 CarbonylContact O-C 3.37Å; I78-S81 WeakPolarHBondContact O-CB 3.24Å; I78-S81 PolarHBondContact O-N 3.15Å; I78-S81 VanDerWaalsContact O-N 3.13Å; A79-S81 PolarHBondContact O-N 3.38Å; S81-L83 PolarHBondContact O-N 3.32Å; S81-P97 WeakPolarHBondContact OG-CD 3.46Å
82G86.2Confident85.7Confident70 Ų7039.7 Ų39.772%0.72223%0.232SC*.THydrogen-bonded Turntrans72.513.4-177.200000114.3I78 A79 Q80I78-G82 PolarHBondContact O-N 3.16Å; A79-G82 PolarHBondContact O-N 3.14Å; A79-G82 VanDerWaalsContact O-N 3.07Å; Q80-G82 PolarHBondContact O-N 3.03Å
83L85.9Confident84.9Confident70 Ų7041.6 Ų41.637%0.36624%0.243SC..  trans-87.8150.3-178.4-64.2176000111.1I78 S81 L85 V93 L96I78-L83 HydrophobicContact CG2-CB 3.74Å; I78-L83 WeakPolarHBondContact O-CB 3.33Å; I78-L83 PolarHBondContact O-N 3.02Å; S81-L83 PolarHBondContact O-N 3.32Å; L83-L85 PolarHBondContact O-N 3.06Å; L83-V93 HydrophobicContact CD1-CG1 4.05Å; L83-V93 HydrophobicContact CD1-CG2 4.15Å; L83-L96 HydrophobicContact CD1-CD2 4.26Å
84P83.8Confident83.7Confident81 Ų8148.4 Ų48.453%0.52627%0.273SS..  trans-65.9131.5-178.626.9-34.8000111.5R86P84-R86 HydrophobicContact CB-CG 4.47Å; P84-R86 PolarHBondContact O-N 3.29Å
85L83.8Confident82.8Confident27 Ų2755.6 Ų55.614%0.14131%0.312CS..  trans-64.5102175.6-79.6179.3000111V48 Q51 I52 L55 L75 I78 A79 L83V48-L85 HydrophobicContact CG1-CD1 3.67Å; Q51-L85 HydrophobicContact CB-CD1 4.27Å; Q51-L85 HydrophobicContact CG-CD1 4.2Å; I52-L85 HydrophobicContact CD1-CD1 4.12Å; I52-L85 HydrophobicContact CD1-CD2 4.01Å; I52-L85 HydrophobicContact CG1-CD1 3.61Å; I52-L85 HydrophobicContact CG1-CD2 3.74Å; I52-L85 HydrophobicContact CG1-CG 4.36Å; L55-L85 HydrophobicContact CD1-CB 4.37Å; L75-L85 HydrophobicContact CB-CD2 3.9Å; L75-L85 HydrophobicContact CD2-CD2 4.03Å; L75-L85 HydrophobicContact CG-CD2 4.45Å; L75-L85 WeakPolarHBondContact O-CD2 3.24Å; I78-L85 HydrophobicContact CG2-CD2 4.5Å; A79-L85 HydrophobicContact CB-CD2 4.04Å; A79-L85 HydrophobicContact CB-CG 4.32Å; L83-L85 PolarHBondContact O-N 3.06Å
86R80.4Confident82.4Confident134 Ų13456.8 Ų56.851%0.50632%0.318SS..  trans-143.2128.7-176-77-162.6-5017010109.5P84 E88 S89P84-R86 HydrophobicContact CB-CG 4.47Å; P84-R86 PolarHBondContact O-N 3.29Å; R86-E88 VanDerWaalsContact CB-OE2 3.26Å; R86-E88 WeakPolarHBondContact CB-OE2 3.45Å; R86-E88 PolarHBondContact O-N 3.05Å; R86-S89 WeakPolarHBondContact CB-OG 3.39Å; R86-S89 PolarHBondContact NE-OG 2.98Å; R86-S89 PolarHBondContact NH2-OG 3.42Å; R86-S89 PolarHBondContact O-N 3.37Å; R86-S89 VanDerWaalsContact O-N 3.16Å
87V77.9Confident82.1Confident46 Ų4660.2 Ų60.228%0.27934%0.34SS..G310 helixtrans-65.8-35.5-178.7-177.50000109.9L55 S89 L90L55-V87 HydrophobicContact CB-CG2 4.43Å; L55-V87 HydrophobicContact CD2-CG2 4.01Å; V87-S89 PolarHBondContact O-N 3.2Å; V87-S89 VanDerWaalsContact O-N 3.15Å; V87-L90 HydrophobicContact CB-CD1 4.39Å; V87-L90 HydrophobicContact CG1-CD1 3.8Å; V87-L90 VanDerWaalsContact O-CB 3.25Å; V87-L90 WeakPolarHBondContact O-CB 3.25Å; V87-L90 VanDerWaalsContact O-CD1 3.3Å; V87-L90 WeakPolarHBondContact O-CD1 3.15Å; V87-L90 WeakPolarHBondContact O-CG 3.49Å; V87-L90 PolarHBondContact O-N 3.46Å; V87-L90 VanDerWaalsContact O-N 3.12Å
88E74.7Confident82Confident117 Ų11763.2 Ų63.255%0.54736%0.356SS..G310 helixtrans-64.8-20.5179.1-45.869.1-142.200111.9R86R86-E88 VanDerWaalsContact CB-OE2 3.26Å; R86-E88 WeakPolarHBondContact CB-OE2 3.45Å; R86-E88 PolarHBondContact O-N 3.05Å
89S75.5Confident82Confident8 Ų863.2 Ų63.26%0.05636%0.356CS..G310 helixtrans-86.8-10.4179.6-56.70000113.5R86 V87 N91 S92 V93R86-S89 WeakPolarHBondContact CB-OG 3.39Å; R86-S89 PolarHBondContact NE-OG 2.98Å; R86-S89 PolarHBondContact NH2-OG 3.42Å; R86-S89 PolarHBondContact O-N 3.37Å; R86-S89 VanDerWaalsContact O-N 3.16Å; V87-S89 PolarHBondContact O-N 3.2Å; V87-S89 VanDerWaalsContact O-N 3.15Å; S89-N91 VanDerWaalsContact C-N 3.33Å; S89-N91 PolarHBondContact O-N 3.19Å; S89-S92 PolarHBondContact O-N 3.05Å; S89-V93 PolarHBondContact O-N 3.44Å
90L80.9Confident82Confident8 Ų871.2 Ų71.24%0.04238%0.382CS..THydrogen-bonded Turntrans-59.3-37.1-176.3-74.2167.3000114.5L4 I71 K74 L75 I78 V87L4-L90 HydrophobicContact CD1-CB 3.82Å; L4-L90 HydrophobicContact CD1-CD1 4.19Å; L4-L90 HydrophobicContact CD1-CD2 4.04Å; L4-L90 HydrophobicContact CD1-CG 4.26Å; I71-L90 HydrophobicContact CG2-CD1 3.79Å; K74-L90 HydrophobicContact CB-CD2 3.84Å; K74-L90 HydrophobicContact CD-CD2 4.31Å; K74-L90 WeakPolarHBondContact CD-O 3.32Å; K74-L90 WeakPolarHBondContact CE-O 3.36Å; K74-L90 HydrophobicContact CG-CD2 4.16Å; K74-L90 PolarHBondContact NZ-O 3.1Å; L75-L90 HydrophobicContact CD2-CD2 3.8Å; L75-L90 HydrophobicContact CD2-CG 4.2Å; L75-L90 HydrophobicContact CG-CD2 3.98Å; I78-L90 HydrophobicContact CD1-CD2 4.02Å; V87-L90 HydrophobicContact CB-CD1 4.39Å; V87-L90 HydrophobicContact CG1-CD1 3.8Å; V87-L90 VanDerWaalsContact O-CB 3.25Å; V87-L90 WeakPolarHBondContact O-CB 3.25Å; V87-L90 VanDerWaalsContact O-CD1 3.3Å; V87-L90 WeakPolarHBondContact O-CD1 3.15Å; V87-L90 WeakPolarHBondContact O-CG 3.49Å; V87-L90 PolarHBondContact O-N 3.46Å; V87-L90 VanDerWaalsContact O-N 3.12Å
91N79.8Confident82Confident49 Ų4970 Ų7026%0.26238%0.376SS..THydrogen-bonded Turntrans-104-10.1-179.8-65.2-10000112.5S3 T5 S89S3-N91 PolarHBondContact O-ND2 2.74Å; T5-N91 PolarHBondContact N-OD1 2.85Å; T5-N91 VanDerWaalsContact OG1-CG 3.3Å; T5-N91 PolarHBondContact OG1-OD1 3.39Å; S89-N91 VanDerWaalsContact C-N 3.33Å; S89-N91 PolarHBondContact O-N 3.19Å
92S72.7Confident81.9Confident86 Ų8672.1 Ų72.160%0.60139%0.387SS*.THydrogen-bonded Turntrans-81.3-40.8-179.7172.20000112.4S89 K94S89-S92 PolarHBondContact O-N 3.05Å; S92-K94 PolarHBondContact O-N 2.8Å
93V75.8Confident80.8Confident40 Ų4072.8 Ų72.824%0.24238%0.377CS..  trans-8692.6-179.5-165.70000109.2L83 S89 L96L83-V93 HydrophobicContact CD1-CG1 4.05Å; L83-V93 HydrophobicContact CD1-CG2 4.15Å; S89-V93 PolarHBondContact O-N 3.44Å; V93-L96 HydrophobicContact CB-CD1 4.14Å; V93-L96 HydrophobicContact CB-CD2 4.38Å; V93-L96 HydrophobicContact CB-CG 3.99Å; V93-L96 HydrophobicContact CG1-CD1 4.4Å; V93-L96 HydrophobicContact CG1-CD2 3.86Å; V93-L96 HydrophobicContact CG1-CG 3.7Å
94K67.9Low79.2Confident143 Ų14371.8 Ų71.862%0.62238%0.383SS*.  trans-72.9-31.7-175.7-63.6176.6-176.3174.50112.4S92 E384S92-K94 PolarHBondContact O-N 2.8Å; K94-E384 IonicContact NZ-OE1 2.74Å; K94-E384 IonicContact NZ-OE2 3.81Å
95D73.5Confident77.2Confident159 Ų15977.4 Ų77.485%0.8540%0.4SS*.SBendtrans-103.864.5-179.5-61.5-66.7000113.1
96L83.6Confident75.5Confident26 Ų2682.4 Ų82.414%0.13643%0.426CS..PPolyproline II helixtrans-90.1135.1171.9-78.6165.9000111.5K74 I78 L83 V93K74-L96 HydrophobicContact CG-CD1 3.98Å; I78-L96 HydrophobicContact CD1-CD1 4.26Å; I78-L96 HydrophobicContact CG1-CD1 3.66Å; I78-L96 HydrophobicContact CG1-CD2 3.96Å; I78-L96 HydrophobicContact CG1-CG 4.48Å; L83-L96 HydrophobicContact CD1-CD2 4.26Å; V93-L96 HydrophobicContact CB-CD1 4.14Å; V93-L96 HydrophobicContact CB-CD2 4.38Å; V93-L96 HydrophobicContact CB-CG 3.99Å; V93-L96 HydrophobicContact CG1-CD1 4.4Å; V93-L96 HydrophobicContact CG1-CD2 3.86Å; V93-L96 HydrophobicContact CG1-CG 3.7Å
97P86.4Confident73.9Confident73 Ų7378.8 Ų78.847%0.47442%0.415SS..PPolyproline II helixtrans-67.8142.8166.630.4-33.8000110.1A77 S81A77-P97 WeakPolarHBondContact CB-O 3.34Å; S81-P97 WeakPolarHBondContact OG-CD 3.46Å
98L90.4Very high72.1Confident63 Ų6379.8 Ų79.833%0.3343%0.428SS..PPolyproline II helixtrans-55.2139.7175.4-65.1178.8000111V9 E10 Y13 R100V9-L98 HydrophobicContact CG1-CD1 4.14Å; E10-L98 HydrophobicContact CG-CD2 3.78Å; Y13-L98 HydrophobicContact CD1-CB 4.19Å; Y13-L98 HydrophobicContact CD1-CD1 4.09Å; Y13-L98 HydrophobicContact CD1-CD2 4.02Å; Y13-L98 HydrophobicContact CD1-CG 4.33Å; Y13-L98 HydrophobicContact CE1-CB 4.11Å; Y13-L98 HydrophobicContact CG-CD1 4.21Å; L98-R100 PolarHBondContact O-N 2.9Å
99P91.5Very high70.3Confident1 Ų181.4 Ų81.41%0.00644%0.436CS..PPolyproline II helixtrans-61.4127.1-176.824.4-31.6000110.5Y13 Y14 L73 I76 A77 F101Y13-P99 HydrophobicContact CE1-CG 4.09Å; Y13-P99 PolarHBondContact OH-O 3.24Å; Y14-P99 HydrophobicContact CE1-CG 3.79Å; L73-P99 HydrophobicContact CB-CG 4.34Å; I76-P99 HydrophobicContact CB-CB 4.29Å; I76-P99 HydrophobicContact CG2-CB 3.72Å; A77-P99 HydrophobicContact CB-CB 4.23Å; P99-F101 HydrophobicContact CB-CE2 4Å; P99-F101 HydrophobicContact CB-CZ 4Å; P99-F101 HydrophobicContact CG-CE2 4.06Å; P99-F101 HydrophobicContact CG-CZ 4.29Å; P99-F101 WeakPolarHBondContact O-CD2 3.44Å; P99-F101 VanDerWaalsContact O-CE2 3.24Å; P99-F101 WeakPolarHBondContact O-CE2 3.35Å
100R90.3Very high68.9Low188 Ų18883.7 Ų83.771%0.70946%0.455SS*.PPolyproline II helixtrans-94.1123.6-170.4-63.6172.360.1-165.7-2.8110.3Q80 L98Q80-R100 PolarHBondContact NE2-O 3.49Å; L98-R100 PolarHBondContact O-N 2.9Å
101F92.6Very high67Low33 Ų3390.6 Ų90.615%0.14548%0.481CS..  trans-109.4116.6177.9-59.5-77.7000110.8Y13 L17 L38 A41 A42 L73 P99 V103Y13-F101 HydrophobicContact CE1-CE2 4.49Å; Y13-F101 WeakPolarHBondContact OH-CD2 3.42Å; L17-F101 HydrophobicContact CD1-CD2 4.39Å; L17-F101 HydrophobicContact CD1-CE2 3.68Å; L17-F101 HydrophobicContact CD1-CZ 4.35Å; L38-F101 HydrophobicContact CD1-CB 4.42Å; L38-F101 HydrophobicContact CD1-CD1 3.47Å; L38-F101 VanDerWaalsContact CD1-CD1 3.47Å; L38-F101 HydrophobicContact CD1-CD2 4.03Å; L38-F101 HydrophobicContact CD1-CE1 3.62Å; L38-F101 HydrophobicContact CD1-CE2 4.17Å; L38-F101 HydrophobicContact CD1-CG 3.68Å; L38-F101 HydrophobicContact CD1-CZ 3.98Å; L38-F101 HydrophobicContact CD2-CE1 4.5Å; L38-F101 HydrophobicContact CD2-CZ 4.5Å; L38-F101 HydrophobicContact CG-CD1 3.96Å; L38-F101 HydrophobicContact CG-CE1 3.65Å; L38-F101 HydrophobicContact CG-CZ 4.09Å; L38-F101 WeakPolarHBondContact O-CD1 3.3Å; L38-F101 WeakPolarHBondContact O-CE1 3.22Å; A41-F101 HydrophobicContact CB-CB 4.17Å; A41-F101 HydrophobicContact CB-CD1 4.29Å; A41-F101 CarbonylContact O-C 3.59Å; A41-F101 WeakPolarHBondContact O-CA 3.36Å; A42-F101 HydrophobicContact CB-CD1 4.04Å; A42-F101 HydrophobicContact CB-CE1 3.82Å; L73-F101 HydrophobicContact CD2-CE2 4.28Å; L73-F101 HydrophobicContact CD2-CZ 3.65Å; P99-F101 HydrophobicContact CB-CE2 4Å; P99-F101 HydrophobicContact CB-CZ 4Å; P99-F101 HydrophobicContact CG-CE2 4.06Å; P99-F101 HydrophobicContact CG-CZ 4.29Å; P99-F101 WeakPolarHBondContact O-CD2 3.44Å; P99-F101 VanDerWaalsContact O-CE2 3.24Å; P99-F101 WeakPolarHBondContact O-CE2 3.35Å; F101-V103 VanDerWaalsContact C-N 3.32Å; F101-V103 PolarHBondContact O-N 3.01Å
102V85.8Confident65.1Low93 Ų9396 Ų9656%0.56450%0.504SS*.  trans-79.982.4174.3-173.80000108.4A41 Q43 G104A41-V102 PolarHBondContact O-N 2.94Å; Q43-V102 HydrophobicContact CB-CG2 4.42Å; V102-G104 PolarHBondContact O-N 3.37Å; V102-G104 VanDerWaalsContact O-N 3.16Å
103V64.6Low63.6Low83 Ų8395.1 Ų95.150%0.50350%0.502SS..  trans-62.9116.1172.4178.10000108.7F101 E107F101-V103 VanDerWaalsContact C-N 3.32Å; F101-V103 PolarHBondContact O-N 3.01Å; V103-E107 HydrophobicContact CG1-CB 3.62Å; V103-E107 HydrophobicContact CG1-CG 4.47Å
104G51.9Low61.9Low49 Ų4997.3 Ų97.351%0.50552%0.524SS..  trans-56.7144174.100000110.9V102 N106 E107V102-G104 PolarHBondContact O-N 3.37Å; V102-G104 VanDerWaalsContact O-N 3.16Å; G104-N106 PolarHBondContact O-N 2.86Å; G104-E107 PolarHBondContact O-N 3.13Å
105K41.9Very low60.3Low200 Ų20097.6 Ų97.687%0.8753%0.532SS*.THydrogen-bonded Turntrans-58.9-3-166.2-155.4174.6-179.5-1780115.9
106N47.8Very low58.7Low132 Ų132100.2 Ų100.271%0.70653%0.531SS*.THydrogen-bonded Turntrans-91.1-21.8-172.3-50.520.1000112.4G104 A108 E109G104-N106 PolarHBondContact O-N 2.86Å; N106-A108 VanDerWaalsContact C-N 3.3Å; N106-A108 PolarHBondContact O-N 3.17Å; N106-E109 PolarHBondContact O-N 3.16Å
107E47.3Very low56.2Low58 Ų58108.4 Ų108.427%0.27157%0.569SS.*Hα-helixtrans-77.8-12.4-176.7-147.8-165.880.900113.6Y20 V103 G104 E109 R111Y20-E107 PolarHBondContact OH-OE2 3.35Å; V103-E107 HydrophobicContact CG1-CB 3.62Å; V103-E107 HydrophobicContact CG1-CG 4.47Å; G104-E107 PolarHBondContact O-N 3.13Å; E107-E109 VanDerWaalsContact C-N 3.34Å; E107-R111 PolarHBondContact O-NH1 2.94Å; E107-R111 IonicContact OE1-CZ 3.86Å; E107-R111 IonicContact OE1-NH1 3.98Å; E107-R111 PolarHBondContact OE1-NH1 2.91Å; E107-R111 IonicContact OE1-NH2 3.61Å; E107-R111 PolarHBondContact OE1-NH2 2.86Å
108A39.2Very low53.4Low67 Ų67112.6 Ų112.655%0.55459%0.587SS**Hα-helixtrans-69.3-34.5170.800000111.7N106N106-A108 VanDerWaalsContact C-N 3.3Å; N106-A108 PolarHBondContact O-N 3.17Å
109E36.3Very low50.9Low151 Ų151113.2 Ų113.271%0.70660%0.602SS**Hα-helixtrans-75.6-36.6178.6-163167.7174.600111.2N106 E107 R111 H112 A113N106-E109 PolarHBondContact O-N 3.16Å; E107-E109 VanDerWaalsContact C-N 3.34Å; E109-R111 PolarHBondContact O-N 3.47Å; E109-H112 PolarHBondContact O-N 3.46Å; E109-A113 PolarHBondContact O-N 3.47Å
110A45.9Very low48.1Very low55 Ų55120.6 Ų120.646%0.45564%0.641SS.*Hα-helixtrans-58-31.3173.200000113.5H112 A114A110-H112 VanDerWaalsContact C-N 3.33Å; A110-A114 PolarHBondContact O-N 3.3Å
111R42.9Very low45.3Very low154 Ų154116.7 Ų116.758%0.58164%0.642SS**Hα-helixtrans-73.2-21.3174.3-73.7-179.8-179.9722.2113.8E107 E109E107-R111 PolarHBondContact O-NH1 2.94Å; E107-R111 IonicContact OE1-CZ 3.86Å; E107-R111 IonicContact OE1-NH1 3.98Å; E107-R111 PolarHBondContact OE1-NH1 2.91Å; E107-R111 IonicContact OE1-NH2 3.61Å; E107-R111 PolarHBondContact OE1-NH2 2.86Å; E109-R111 PolarHBondContact O-N 3.47Å
112H39.1Very low42.5Very low161 Ų161124.8 Ų124.875%0.74568%0.681SS**Hα-helixtrans-87.5-30.8171.9-87.3-87000112.8E109 A110 A114E109-H112 PolarHBondContact O-N 3.46Å; A110-H112 VanDerWaalsContact C-N 3.33Å; H112-A114 VanDerWaalsContact C-N 3.32Å; H112-A114 PolarHBondContact O-N 3.08Å
113A40.2Very low40Very low68 Ų68123.6 Ų123.656%0.56269%0.687SS**Hα-helixtrans-65.8-32.4176.900000113.3E109 L115E109-A113 PolarHBondContact O-N 3.47Å; A113-L115 PolarHBondContact O-N 3.25Å; A113-L115 VanDerWaalsContact O-N 3.14Å
114A39.8Very low38.3Very low87 Ų87127.4 Ų127.472%0.71970%0.704SS**THydrogen-bonded Turntrans-73.50.5-172.500000116.1A110 H112A110-A114 PolarHBondContact O-N 3.3Å; H112-A114 VanDerWaalsContact C-N 3.32Å; H112-A114 PolarHBondContact O-N 3.08Å
115L36.3Very low37.3Very low148 Ų148135.3 Ų135.378%0.77572%0.72SS**THydrogen-bonded Turntrans-109.7-3-177.9-146.376.6000114.7A113A113-L115 PolarHBondContact O-N 3.25Å; A113-L115 VanDerWaalsContact O-N 3.14Å
116Y38.6Very low37.6Very low215 Ų215131.5 Ų131.584%0.84372%0.716SS**  trans-141.189.4174.9-91.1-79.6000111.3
117Q30.4Very low37Very low197 Ų197129.4 Ų129.492%0.92172%0.717SS**  trans-146.185.3162.1-158.416622.500110.3
118D28.7Very low37Very low161 Ų161133 Ų13386%0.86175%0.745SS**  trans-127.5168.8164-1659.8000108.3
119A37.4Very low36.5Very low77 Ų77132.7 Ų132.764%0.63675%0.748SS**  trans-55152.6-173.700000113.1
120D32.8Very low36.3Very low156 Ų156132.7 Ų132.783%0.83476%0.759SS**  cis-162.8179.146.5-142.1-46.6000113.3
121S31.6Very low35.5Very low105 Ų105133.8 Ų133.873%0.73477%0.768SS**  trans-145.668.6178.963.10000116.3
122Q34Very low35Very low204 Ų204134.8 Ų134.895%0.95378%0.784SS**  trans-151.2152.4140.1-70-149.9-1.100109.3
123G32.3Very low35Very low68 Ų68134.8 Ų134.870%0.70179%0.788SS**  trans-155.4166.2-174.800000114.8
124L29.9Very low35.3Very low163 Ų163137.5 Ų137.585%0.85380%0.8SS**  trans-163.2101.6178-125.1118.4000113.9
125Y31.1Very low35.2Very low215 Ų215144.4 Ų144.484%0.84381%0.807SS**  trans57.1-178.9158.8-65.3-82.4000118.3
126P48.7Very low35.5Very low119 Ų119143.3 Ų143.377%0.77381%0.809SS**  -127.4-175.3-83.439.3-22000116.7
127A33.9Very low35.9Very low89 Ų89139.4 Ų139.474%0.73681%0.81SS**  trans-59.6179.2-177.800000115.9
128P47.7Very low36Very low132 Ų132133.8 Ų133.886%0.85781%0.805SS**  cis-149.3178.919.145-24.8000120.2
129G29.1Very low36.2Very low61 Ų61136.9 Ų136.963%0.62980%0.804SS**  trans140.9114.8140.600000120.2
130T31.3Very low35.9Very low151 Ų151136.5 Ų136.593%0.92681%0.808SS**  trans56.3152145.225.50000121.3
131A30.5Very low36Very low78 Ų78137 Ų13765%0.64581%0.805SS**  cis-157.2153.3100000113.5
132L31.2Very low36.2Very low176 Ų176140.1 Ų140.192%0.92181%0.808SS**  trans46.6141.6140.2-59.8174.7000124.5
133I39.6Very low36.1Very low160 Ų160136.2 Ų136.282%0.82179%0.794SS**  trans-94.4145.9179.8-78.1163.7000110.8
134P45.9Very low36.3Very low125 Ų125141.1 Ų141.181%0.81280%0.796SS**  -148154.8106.835.2-16.4000117.9
135R38.6Very low36.4Very low233 Ų233143 Ų14388%0.87980%0.797SS**  trans-88.7155.3169.3-72.5172.3164.2164.1-7.4112.1
136P42.3Very low36.4Very low124 Ų124135.9 Ų135.981%0.80579%0.789SS**  trans-85.4157.3166.535-34.3000113.4
137P47.4Very low36.7Very low134 Ų134136.2 Ų136.287%0.8779%0.791SS**  trans-121.2168.6-177.442.2-32.6000116.2
138G32.7Very low37.7Very low79 Ų79137.4 Ų137.481%0.81479%0.791SS**  trans112.2154.9164.700000114.8
139R33.2Very low36.8Very low225 Ų225135.6 Ų135.685%0.84978%0.782SS**  cis-158137.6-2.2-171.8-174.3-166.4-1795.6109.4
140G29.5Very low36.9Very low69 Ų69137.9 Ų137.971%0.71179%0.788SS**  trans-122.6147.1175.600000112.5
141H35.5Very low36.9Very low168 Ų168136.3 Ų136.378%0.77878%0.779SS**  trans-100.7170.2-178.4-88.9-109.5000113.4
142Q35.9Very low36.9Very low170 Ų170137.6 Ų137.679%0.79478%0.783SS**  trans-122.9147.4-159.5-49.5165.74.300112.6
143N31.5Very low37Very low121 Ų121137.1 Ų137.165%0.64778%0.78SS**  177.2139.9122-102.6-45.8000115.5
144K36.5Very low37.2Very low171 Ų171135 Ų13574%0.74378%0.777SS**  36.7139.4127.4-70.1170.4-165142.70119.8
145K31.9Very low36.5Very low203 Ų203133.1 Ų133.188%0.88377%0.772SS**  cis-146.4170.44.3-83.6140.1174.7-172.70105.6
146G31.5Very low36.2Very low66 Ų66129.9 Ų129.968%0.6877%0.766SS**  cis167.1173.917.600000108.3
147P54.3Low35.6Very low126 Ų126131.2 Ų131.282%0.81876%0.762SS**  trans-114.2-159.6-158.645.8-36.1000112.1
148P54.7Low34.8Very low113 Ų113130.6 Ų130.673%0.73476%0.755SS**  cis-126.5-164.8-4.931.9-6.5000112.3
149S30.4Very low34.7Very low94 Ų94134.2 Ų134.266%0.65775%0.754SS**  cis-156.5142.521.2-32.20000110.8
150S30.3Very low34.6Very low109 Ų109131.6 Ų131.676%0.76275%0.752SS**  63.7137.8104.282.90000116.1
151T31.7Very low35.6Very low119 Ų119133.3 Ų133.373%0.7375%0.751SS**  cis-160.515531.8-50.50000113.1
152S30.3Very low35.3Very low105 Ų105133.1 Ų133.173%0.73475%0.754SS**  trans56.3119.4155.957.10000123.5
153L33.3Very low35.1Very low165 Ų165128.9 Ų128.986%0.86475%0.749SS**  trans-90.8162.2132.2-63.1169.3000108.4
154P44.7Very low35.8Very low116 Ų116129.7 Ų129.775%0.75376%0.761SS**  -123.6168.474.14.120.7000113
155A30.7Very low35.7Very low85 Ų85127 Ų12770%0.70276%0.763SS**  66.9151.65400000113.3
156H32.6Very low35.6Very low165 Ų165124.4 Ų124.476%0.76476%0.757SS**  cis-160.3-178.7-2.5-137.1-145.9000107
157E29Very low35.5Very low152 Ų152130 Ų13071%0.7177%0.766SS**  cis-161.8-145.47.6-162.6169.9105.100107.6
158V29.5Very low34.3Very low121 Ų121128.8 Ų128.873%0.73377%0.766SS**  trans74.6123.6152.9163.80000117.9
159I31.9Very low32.8Very low155 Ų155130.8 Ų130.880%0.79577%0.766SS**  cis-153.1156.30.8-134.5168.9000113.3
160Q31.5Very low33.3Very low170 Ų170131.9 Ų131.979%0.79477%0.771SS**  trans-93.4166.7170.1-111-173.476.100110.1
161P50.1Low33.1Very low106 Ų106133.8 Ų133.869%0.68877%0.768SS**  cis-157.4-174.545.944.6-22.6000118.9
162L28.8Very low33.8Very low163 Ų163132.9 Ų132.985%0.85376%0.764SS**  trans66.2134.3143.9-125.968.5000122.4
163A32Very low33.7Very low82 Ų82133.5 Ų133.568%0.67876%0.764SS**  trans-100.8166.2159.900000110.7
164P45.7Very low33.5Very low138 Ų138131.1 Ų131.190%0.89676%0.76SS**  -140-162.6102.238.6-24.3000113.9
165S33.9Very low34.2Very low114 Ų114131.2 Ų131.280%0.79776%0.761SS**  trans-109-177-160.1-1660000115
166I31.6Very low34.2Very low148 Ų148133.1 Ų133.176%0.75976%0.764SS**  trans99.890.7164.3-52.6172.3000117.3
167E27.6Very low34.2Very low184 Ų184132.8 Ų132.886%0.8677%0.766SS**  41.9116.7118.8-166.8174.8-177.800122.3
168A29.8Very low34.4Very low100 Ų100130 Ų13083%0.82676%0.763SS**  trans-178.8154.5132.200000114
169Q24Very low35.4Very low155 Ų155129.1 Ų129.172%0.72476%0.76SS**  trans-92.8165.4168.9-104-86.2-62.900110.3
170P40.4Very low35.4Very low118 Ų118129.1 Ų129.177%0.76676%0.756SS**  -152.6173.855.341.6-19.2000120.7
171E26Very low35.4Very low149 Ų149129.2 Ų129.270%0.69676%0.757SS**  trans-56.2176.2156.8-81.9-79.7131.600114.4
172P46.3Very low34.8Very low99 Ų99129.1 Ų129.164%0.64376%0.759SS**  cis-151.8-169.826.541-16.7000120.1
173T27.9Very low36.4Very low119 Ų119127.1 Ų127.173%0.7376%0.755SS**  trans82.5119.9162.462.30000118.2
174S29.8Very low37.5Very low114 Ų114127.9 Ų127.980%0.79775%0.753SS**  cis93.9162.347.9-74.10000113.3
175P59.1Low36.6Very low119 Ų119127.6 Ų127.677%0.77375%0.75SS**  cis-119.1-149.2-0.848.4-34.2000109.3
176V31.8Very low36.7Very low124 Ų124127.4 Ų127.475%0.75275%0.748SS**  cis-168.8147.7-29.7129.70000104.5
177I30.7Very low37.9Very low159 Ų159126.1 Ų126.182%0.81575%0.749SS**  -134.3150.255.5-85.194.4000112.1
178S34Very low38.2Very low92 Ų92124.4 Ų124.464%0.64374%0.741SS**  trans-138.7172.1162.7-163.80000108.5H180S178-H180 PolarHBondContact OG-N 3Å
179P50.2Low38.6Very low104 Ų104123.2 Ų123.268%0.67573%0.727SS**  -150.6132.789.430.7-9.4000117.6
180H31.7Very low38.9Very low155 Ų155124 Ų12472%0.71872%0.723SS**  trans57.9160.7133.7-58.1-58000122.3S178S178-H180 PolarHBondContact OG-N 3Å
181Q32.9Very low38.8Very low171 Ų171128 Ų12880%0.79972%0.723SS**  cis-170.1164.1-33.6-167.5159.573.600108.5
182S36.8Very low39Very low104 Ų104127.3 Ų127.373%0.72772%0.718SS**  trans-113.8177.8179.1-410000111.6
183P63.5Low38.4Very low121 Ų121130.7 Ų130.779%0.78673%0.725SS**  cis-114.7-110.8-9.420.96.1000109.6
184P53.1Low38.3Very low98 Ų98133.6 Ų133.664%0.63673%0.727SS**  cis-137.7-173.8-3141.6-22.7000116.6
185T26.8Very low38.3Very low133 Ų133137.7 Ų137.782%0.81673%0.725SS**  trans70.4162.1157.445.30000121.8
186S35.9Very low36.8Very low110 Ų110139.4 Ų139.477%0.76972%0.723SS**  trans-151175.2176.8-760000108.8
187P57.4Low36.6Very low121 Ų121140.7 Ų140.779%0.78672%0.72SS**  cis-111.3-124.7-13.418.96.7000109.5
188H34.2Very low36.5Very low148 Ų148139 Ų13969%0.68572%0.722SS**  cis-165.5131.8-3.6-162.666.2000113.1
189S37.7Very low36.2Very low75 Ų75138.5 Ų138.552%0.52473%0.732SS.*  trans63.7171.7149.173.50000119.6
190W31.1Very low35.2Very low172 Ų172137 Ų13765%0.65274%0.736SS**  cis-132.8-158.58.7-84.499.6000109K192W190-K192 HydrophobicContact CE3-CD 4.34Å; W190-K192 VanDerWaalsContact CE3-CE 3.47Å; W190-K192 HydrophobicContact CE3-CG 4.1Å; W190-K192 HydrophobicContact CZ3-CD 4.48Å; W190-K192 HydrophobicContact CZ3-CG 4.34Å
191R39Very low35Very low200 Ų200137.5 Ų137.576%0.75574%0.744SS**  cis-145138.410-67-179.5-174.2-21.15.5108.5
192K29.7Very low34.9Very low136 Ų136133 Ų13359%0.59174%0.736SS**  58.5141.395.5-53.3177.2-179170.30114.1W190W190-K192 HydrophobicContact CE3-CD 4.34Å; W190-K192 VanDerWaalsContact CE3-CE 3.47Å; W190-K192 HydrophobicContact CE3-CG 4.1Å; W190-K192 HydrophobicContact CZ3-CD 4.48Å; W190-K192 HydrophobicContact CZ3-CG 4.34Å
193H33.1Very low34.4Very low170 Ų170134.7 Ų134.779%0.78774%0.737SS**  cis-140.4167.235.3-94.9-106.9000111.6
194K25.6Very low32.9Very low179 Ų179138.4 Ų138.478%0.77874%0.735SS**  cis74.21027.3-162.7162.3-177.8167.80117
195R29.9Very low31.9Very low201 Ų201139.4 Ų139.476%0.75873%0.731SS**  -176.2128.978.6176-155.3-79.8-94.47.5113.4
196Q26.7Very low32Very low155 Ų155140.8 Ų140.872%0.72473%0.728SS**  trans54.5168.5147.6-60.8-104.2-83.500122.7
197H29.1Very low31.7Very low151 Ų151140.7 Ų140.770%0.69972%0.723SS**  trans78.4123168.1-46-66.3000114.6
198S29.1Very low30.3Very low123 Ų123141.3 Ų141.386%0.8672%0.724SS**  cis82112.542-174.40000112.9
199G27.2Very low30.1Very low82 Ų82138.7 Ų138.785%0.84573%0.728SS**  trans150.8139.7177.600000109.8
200G28.2Very low29.8Very low73 Ų73139.4 Ų139.475%0.75374%0.738SS**  trans-123.2162.9-178.200000113.1
201N27.5Very low29.6Very low165 Ų165138 Ų13888%0.88275%0.749SS**  trans64.6155.5147.1-158.629.5000120.5
202A30.3Very low29.1Very low77 Ų77132.3 Ų132.364%0.63675%0.752SS**  trans71.2140.1165.100000116.5
203D27.9Very low29.4Very low139 Ų139130.2 Ų130.274%0.74376%0.761SS**  cis-162.5167.2-7.8-138.9-50.2000111.9
204R31.9Very low29.2Very low198 Ų198128.1 Ų128.175%0.74776%0.76SS**  trans61.6161.8158.1-72.2178.9139.4-166.4-4.1118.1
205Q30.7Very low29.3Very low119 Ų119131.3 Ų131.356%0.55677%0.767SS**  cis-153.1174.6-6.5-122.5168-51.200107.7
206Q30.3Very low29.4Very low162 Ų162126.6 Ų126.676%0.75776%0.76SS**  cis-151.6133.924.5-122.1160.811.900108.9
207V28.8Very low29.3Very low108 Ų108127.9 Ų127.966%0.65577%0.766SS**  67.8107.3100.9174.60000113.9
208V28.9Very low29.2Very low134 Ų134129.1 Ų129.181%0.81277%0.77SS**  71.8111.158.6178.40000111.6
209A29.9Very low29.2Very low94 Ų94132.1 Ų132.178%0.77776%0.762SS**  179.9-178.278.300000108
210A30Very low29.2Very low89 Ų89134.2 Ų134.274%0.73675%0.75SS**  cis-171.8177.8-35.800000104.3
211T27.8Very low30.2Very low144 Ų144136.4 Ų136.488%0.88375%0.751SS**  cis-157-176.525.852.30000109.2
212G29.3Very low30.3Very low79 Ų79136.4 Ų136.481%0.81475%0.746SS**  trans125.6131.6153.700000114.1
213A34.9Very low30.3Very low93 Ų93139.8 Ų139.877%0.76976%0.759SS**  trans-134146.1-170.700000113.3
214V30.1Very low30.3Very low126 Ų126136.3 Ų136.376%0.76476%0.756SS**  trans51.2122.5147.3176.90000119.1
215W27.5Very low31.3Very low245 Ų245132.8 Ų132.893%0.92876%0.759SS**  trans-157.6166.8130.9-103.699.4000110.3
216T31Very low31.5Very low102 Ų102133.4 Ų133.463%0.62677%0.77SS**  trans-122.3154.1-169.742.10000114.3
217Q26Very low31.4Very low182 Ų182131.9 Ų131.985%0.8577%0.772SS**  trans59.1118.3148.6-79.6178.6-35.900122.8
218F26.8Very low31.5Very low177 Ų177130.1 Ų130.178%0.77678%0.776SS**  87.6124.9122.1-152.6-120.6000122.3
219R28.8Very low31.6Very low186 Ų186131.8 Ų131.870%0.70278%0.78SS**  115.5143.6129.7-143.8179.7172.5128.314121.9
220E27.8Very low31.6Very low127 Ų127130.5 Ų130.559%0.59378%0.776SS**  trans70.9164.1152.9-116.237.398.600118.4
221P47.7Very low31.9Very low118 Ų118133.5 Ų133.577%0.76678%0.777SS**  cis-131-177.4-0.637.6-17.5000117.7
222Q29.4Very low32Very low165 Ų165138.5 Ų138.577%0.77178%0.78SS**  trans-81.4171178.7-56.2-177.419.800116.5
223T30.1Very low32.2Very low148 Ų148139.6 Ų139.691%0.90878%0.775SS**  -166.6159.6118.913.80000114
224G29.1Very low31.8Very low67 Ų67140.3 Ų140.369%0.69178%0.775SS**  trans-96.2-158.2-178.200000115
225P53Low31.9Very low123 Ų123142.3 Ų142.380%0.79978%0.775SS**  cis-147.8170.636.943.1-24000119.7
226V33.8Very low32.1Very low132 Ų132135.8 Ų135.880%0.877%0.767SS**  trans62.1132.4148.9145.50000119.8
227T29.7Very low33Very low130 Ų130136.4 Ų136.480%0.79877%0.772SS**  cis-151.5173.7-5.624.30000109
228G31.1Very low34.9Very low71 Ų71133.5 Ų133.573%0.73277%0.769SS**  cis122.963.8-10.300000118.2
229D29.8Very low35.9Very low169 Ų169131 Ų13190%0.90477%0.771SS**  trans-156.3155.4168.8-139.3-26.3000113.9
230G31Very low37.5Very low67 Ų67127.4 Ų127.469%0.69177%0.772SS**  trans104.585.9157.900000122.4
231M35.1Very low37.9Very low153 Ų153129.2 Ų129.275%0.75479%0.785SS**  trans-46.3141.4171.2-78.276.576.900120.7
232W30.7Very low38.4Very low248 Ų248129 Ų12994%0.93978%0.784SS**  160.6170.4101.1-94.8-24.5000116.3
233S32.9Very low40.1Very low103 Ų103126.5 Ų126.572%0.7278%0.781SS**  trans-122.6156.9-166.5-46.20000115.4
234S27.7Very low39.9Very low108 Ų108124.9 Ų124.976%0.75578%0.776SS**  trans-169.3128.5146.3-820000110.3
235H30.3Very low39.8Very low168 Ų168130 Ų13078%0.77878%0.782SS**  71.912965.6-61.5-50.2000112.8
236S32.3Very low38.7Very low107 Ų107131.7 Ų131.775%0.74878%0.779SS**  cis-157.8-151.5-1.7-1480000112
237P50.1Low38.3Very low115 Ų115130.1 Ų130.175%0.74777%0.774SS**  trans-118.9-177.8-134.933.5-9.5000117.7
238P65.9Low38.2Very low121 Ų121134.1 Ų134.179%0.78678%0.775SS**  trans-106.5176.6-167.241.7-36.3000116.5
239P48.8Very low38.1Very low124 Ų124136.2 Ų136.281%0.80577%0.773SS**  -145.2176.9128.539.5-24.5000115.7
240P60.8Low38Very low111 Ų111133.2 Ų133.272%0.72177%0.766SS**  trans-128.1149.8-169.139.9-24.5000119
241L37.6Very low37.9Very low165 Ų165139.1 Ų139.186%0.86477%0.772SS**  trans65.6167.6153.9-61.8169.2000119.8
242P58.1Low37.7Very low115 Ų115137.2 Ų137.275%0.74777%0.77SS**  cis-120.8-106.1-34.824.7-1.3000117.1
243P63.6Low37.7Very low111 Ų111130 Ų13072%0.72176%0.763SS**  -136.1165.8-124.342.9-23.5000120.4
244S26.7Very low37.6Very low115 Ų115131.6 Ų131.680%0.80476%0.763SS**  trans-165.4148.9157.3-15.10000108.5
245Q27.7Very low37.8Very low175 Ų175132 Ų13282%0.81876%0.762SS**  58135.560.5-68.9-151.48000113
246E28.9Very low39Very low158 Ų158128.8 Ų128.874%0.73876%0.756SS**  cis-169.3-163.310.351.3-170.898.400110.9
247S26.4Very low40.4Very low98 Ų98129.4 Ų129.469%0.68576%0.757SS**  trans108.2101.2149.6-1550000123.3
248W26.2Very low39.4Very low214 Ų214129.1 Ų129.181%0.81176%0.758SS**  49.8104.8128.6-59.2100.4000125.7
249V30Very low37.7Very low116 Ų116128.4 Ų128.470%0.70376%0.756SS**  trans39.6128.8132.6-62.50000126.6
250S27.7Very low36.9Very low106 Ų106128.6 Ų128.674%0.74175%0.754SS**  55.6128.1125.9-54.20000125
251F28.4Very low35.5Very low190 Ų190130.5 Ų130.583%0.83376%0.758SS**  -163.9122.7129.6-132.7-117.5000116.7
252T30.3Very low36Very low114 Ų114128.2 Ų128.270%0.69975%0.753SS**  trans60.8149146.654.90000126.2
253A32.3Very low34.7Very low97 Ų97126.8 Ų126.880%0.80275%0.751SS**  trans68.4134.617300000116.5
254D29Very low33.2Very low135 Ų135129.4 Ų129.472%0.72276%0.755SS**  cis83.2140.725.9-150.656.1000113.8
255T32.8Very low33.7Very low118 Ų118131.9 Ų131.972%0.72475%0.754SS**  cis-144.8147.925.9-41.80000114.3
256P56.4Low35.1Very low100 Ų100128 Ų12865%0.64974%0.744SS**  trans-87.9-165.5172.239.5-39.9000112.9
257P60.9Low35Very low120 Ų120125.6 Ų125.678%0.77975%0.745SS**  cis-139.7-147.15.645.8-24.5000115.5
258S29Very low35.5Very low109 Ų109126.2 Ų126.276%0.76275%0.749SS**  trans74.2139.9178.8-95.10000116.7
259S30.1Very low35.8Very low106 Ų106122.3 Ų122.374%0.74175%0.748SS**  cis-170.4168.31.3-112.90000108.6
260T31.7Very low36Very low127 Ų127125 Ų12578%0.77975%0.753SS**  cis-160.1-139.90.8-177.80000110.6
261L32.1Very low36.1Very low152 Ų152128.7 Ų128.780%0.79676%0.759SS**  trans-119.8-175.5-173.1-60.6176000111.6
262P47.9Very low36.3Very low117 Ų117124.3 Ų124.376%0.7675%0.752SS**  cis-147.7168.610.245.9-25.9000120.9
263A30.9Very low36.4Very low84 Ų84125.1 Ų125.169%0.69476%0.757SS**  trans51.4118.6134.700000126.4
264M31.6Very low36.5Very low166 Ų166126.8 Ų126.882%0.81876%0.757SS**  74.8139.9120.4-67.6179.762.400125.6
265H36.9Very low37Very low167 Ų167127.6 Ų127.677%0.77376%0.76SS**  trans92.7165.2143.7-110.7-134.3000119.7
266P57.4Low37.2Very low93 Ų93133.8 Ų133.860%0.60477%0.77SS**  -141.9-164-107.745.3-24.8000117.2
267S28.2Very low36.3Very low109 Ų109135.1 Ų135.176%0.76278%0.776SS**  trans81.7106.5150.6-66.40000122.6
268S35.6Very low35.1Very low110 Ų110136.4 Ų136.477%0.76978%0.782SS**  41.1111120.8179.60000122.5
269V32.6Very low35.3Very low133 Ų133135.6 Ų135.681%0.80678%0.781SS**  trans-151.8129.3138.5-91.60000106.1
270Q34.1Very low35.5Very low173 Ų173136.4 Ų136.481%0.80879%0.787SS**  85.114758.7-80.2-161.8-27.900115.4
271E29.9Very low35.7Very low183 Ų183135.4 Ų135.486%0.85579%0.792SS**  trans73.5153.8175.4-53.8-163.8116.200118.8
272S32.1Very low35.7Very low98 Ų98131.9 Ų131.969%0.68579%0.785SS**  cis-169.2147.1-34-95.70000111.4
273T33Very low35.4Very low130 Ų130133.3 Ų133.380%0.79879%0.791SS**  trans58.9120.7151.6-54.80000121.7
274T33.7Very low35.9Very low133 Ų133135.1 Ų135.182%0.81679%0.794SS**  -178.1141.7122.2-76.60000111.5
275I40.1Very low36.2Very low151 Ų151133.9 Ų133.977%0.77479%0.791SS**  trans-97.2140.4178.5-64.8173.1000111.2
276R36.8Very low36Very low249 Ų249133 Ų13394%0.9479%0.787SS**  trans-155.2139.6150.1-112.8167.6-167169.25.1112.6
277T37.9Very low35.2Very low127 Ų127135.9 Ų135.978%0.77980%0.796SS**  trans-93.2131.6-175.6-51.80000112.1
278V35.9Very low35.9Very low148 Ų148138 Ų13890%0.89779%0.793SS**  trans-156.7152.8141.5-94.70000108.3
279A33.3Very low36.1Very low91 Ų91142.9 Ų142.975%0.75280%0.795SS**  trans-118.5170.2-17900000111.9
280S33.3Very low36Very low123 Ų123144.8 Ų144.886%0.8680%0.795SS**  trans72.980.9160.5-53.50000118.6
281A36.5Very low36Very low107 Ų107141 Ų14188%0.88479%0.787SS**  trans-161.755.4153.100000113.2
282A32.4Very low36.3Very low78 Ų78137.5 Ų137.565%0.64578%0.783SS**  trans-145.91-177.200000117.2T284A282-T284 VanDerWaalsContact C-N 3.26Å; A282-T284 PolarHBondContact O-N 3.48Å
283T41.5Very low36.5Very low146 Ų146136.4 Ų136.490%0.89679%0.788SS**THydrogen-bonded Turntrans-78.867.8-178.351.30000112.3
284T41Very low36.8Very low122 Ų122140.6 Ų140.675%0.74879%0.791SS**THydrogen-bonded Turntrans-151-6.2179.7164.40000115A282A282-T284 VanDerWaalsContact C-N 3.26Å; A282-T284 PolarHBondContact O-N 3.48Å
285N39Very low37.4Very low141 Ų141139.7 Ų139.775%0.75478%0.781SS**SBendtrans-121.54.9-176.1-110.3-26.4000115.9
286E31.6Very low38.6Very low148 Ų148135.5 Ų135.569%0.69276%0.76SS**SBendtrans-94.5-6-179.2-70.8-168.8102.300115
287I41.5Very low40.2Very low153 Ų153125.3 Ų125.379%0.78573%0.726SS**G310 helixtrans-73.9-26.5178.6-91.558.9000112.4R289I287-R289 PolarHBondContact O-N 3.03Å
288Q41.5Very low42.1Very low154 Ų154121.4 Ų121.472%0.7270%0.697SS**G310 helixtrans-90.15.5-167.7-157.657.432.800115.1
289R40.3Very low44.2Very low213 Ų213118.8 Ų118.880%0.80467%0.674SS**G310 helixtrans-136.336.6-176.6-58.8-161.282.1-99.7-1.4115.1I287I287-R289 PolarHBondContact O-N 3.03Å
290Q31.7Very low46.6Very low172 Ų172116.6 Ų116.680%0.80465%0.649SS**SBendtrans-125.638.6173.3-63.1-166.82.600113.2
291S33Very low49Very low93 Ų93112.7 Ų112.765%0.6562%0.62SS**  trans-147.182.6175.458.60000110.6
292S36.3Very low50.9Low110 Ų110114 Ų11477%0.76961%0.612SS**  trans-153.138.817870.40000113
293G36.2Very low53.4Low76 Ų76116.9 Ų116.978%0.78461%0.612SS**SBendtrans-112.7-0.8168.500000113.7
294Y40Very low55.6Low217 Ų217113.2 Ų113.285%0.85159%0.585SS**SBendtrans-128.7-2.3-171.1-87.7-82.9000114.3D296Y294-D296 VanDerWaalsContact C-N 3.34Å; Y294-D296 PolarHBondContact O-N 2.79Å; Y294-D296 VanDerWaalsContact O-N 3.13Å
295D46.3Very low57.9Low114 Ų114112.3 Ų112.361%0.6157%0.568SS**  trans-87.273.8175.3-86.6-78.8000111.4Y376D295-Y376 PolarHBondContact OD1-OH 3.21Å
296D65.1Low60.3Low63 Ų63110 Ų11034%0.33755%0.553SS.*  trans-102.5103.8143.4-179.1-9.5000106.1Y294 W298 K299Y294-D296 VanDerWaalsContact C-N 3.34Å; Y294-D296 PolarHBondContact O-N 2.79Å; Y294-D296 VanDerWaalsContact O-N 3.13Å; D296-W298 PolarHBondContact O-N 3.33Å; D296-W298 PolarHBondContact OD1-N 2.75Å; D296-K299 HydrophobicContact CB-CB 4.28Å; D296-K299 HydrophobicContact CB-CD 3.85Å; D296-K299 HydrophobicContact CB-CG 3.98Å; D296-K299 PolarHBondContact O-N 2.77Å; D296-K299 WeakPolarHBondContact OD2-CE 3.22Å; D296-K299 WeakPolarHBondContact OD2-CG 3.27Å
297P69Low63.3Low35 Ų35109 Ų10923%0.22754%0.543CS..THydrogen-bonded Turntrans-60.2-5.5-175.7-26.836.7000115.5H367 Y376P297-H367 PolarHBondContact O-NE2 2.82Å; P297-Y376 HydrophobicContact CB-CD1 4.12Å; P297-Y376 HydrophobicContact CB-CD2 3.87Å; P297-Y376 HydrophobicContact CB-CE1 4.03Å; P297-Y376 HydrophobicContact CB-CE2 3.75Å; P297-Y376 HydrophobicContact CB-CG 4.05Å; P297-Y376 HydrophobicContact CG-CD1 4.02Å; P297-Y376 HydrophobicContact CG-CD2 4.43Å; P297-Y376 HydrophobicContact CG-CE1 3.55Å; P297-Y376 HydrophobicContact CG-CE2 3.99Å; P297-Y376 HydrophobicContact CG-CG 4.44Å
298W79Confident65.8Low46 Ų46102 Ų10217%0.17451%0.507CS..THydrogen-bonded Turntrans-114.915.1-178.5-45.8108.4000113D296 L368 A371 D377 P379 P383 S385 L386D296-W298 PolarHBondContact O-N 3.33Å; D296-W298 PolarHBondContact OD1-N 2.75Å; W298-L368 HydrophobicContact CE3-CD2 3.93Å; W298-L368 HydrophobicContact CZ3-CD2 3.61Å; W298-A371 HydrophobicContact CE3-CB 4.26Å; W298-A371 HydrophobicContact CH2-CB 4.11Å; W298-A371 HydrophobicContact CZ3-CB 3.62Å; W298-D377 VanDerWaalsContact CH2-O 3.24Å; W298-D377 WeakPolarHBondContact CH2-O 3.42Å; W298-D377 WeakPolarHBondContact CZ2-O 3.48Å; W298-P379 HydrophobicContact CZ3-CG 4.48Å; W298-P383 HydrophobicContact CB-CB 4.1Å; W298-P383 HydrophobicContact CB-CG 3.88Å; W298-P383 HydrophobicContact CD2-CG 4.23Å; W298-P383 HydrophobicContact CG-CG 3.83Å; W298-S385 VanDerWaalsContact O-CB 3.32Å; W298-S385 WeakPolarHBondContact O-CB 3.27Å; W298-S385 PolarHBondContact O-OG 3.35Å; W298-L386 HydrophobicContact CB-CD1 4.3Å; W298-L386 HydrophobicContact CE3-CD1 4.26Å; W298-L386 VanDerWaalsContact O-CD2 3.29Å; W298-L386 WeakPolarHBondContact O-CD2 3.29Å; W298-L386 WeakPolarHBondContact O-CG 3.39Å
299K79.5Confident68.2Low92 Ų9296 Ų9640%0.448%0.479SS..  trans-104.9119170.7-78.8-179.1-175-710111.2D296 T301 Q304 H367D296-K299 HydrophobicContact CB-CB 4.28Å; D296-K299 HydrophobicContact CB-CD 3.85Å; D296-K299 HydrophobicContact CB-CG 3.98Å; D296-K299 PolarHBondContact O-N 2.77Å; D296-K299 WeakPolarHBondContact OD2-CE 3.22Å; D296-K299 WeakPolarHBondContact OD2-CG 3.27Å; K299-T301 PolarHBondContact O-N 3.17Å; K299-Q304 PolarHBondContact O-OE1 3.35Å; K299-H367 PolarHBondContact O-CE1 2.93Å
300I83.4Confident70.7Confident46 Ų4689.4 Ų89.424%0.23646%0.46CS..  trans-74.9119.7167.9-50.6179.6000108.8Q304 R305 Y308 C363 H367 L386I300-Q304 HydrophobicContact CG2-CB 3.87Å; I300-R305 HydrophobicContact CG2-CB 3.72Å; I300-R305 HydrophobicContact CG2-CG 4.37Å; I300-Y308 HydrophobicContact CB-CE2 4.45Å; I300-Y308 HydrophobicContact CD1-CD2 4.23Å; I300-Y308 HydrophobicContact CD1-CE2 4.05Å; I300-Y308 HydrophobicContact CG1-CE2 4.07Å; I300-Y308 HydrophobicContact CG2-CD2 3.91Å; I300-Y308 HydrophobicContact CG2-CE2 3.62Å; I300-C363 HydrophobicContact CD1-CB 4Å; I300-H367 HydrophobicContact CD1-CB 4.02Å; I300-H367 HydrophobicContact CG1-CB 3.98Å; I300-L386 HydrophobicContact CD1-CD2 3.8Å; I300-L386 HydrophobicContact CG1-CD2 3.61Å
301T84.4Confident73.8Confident40 Ų4083.3 Ų83.325%0.24543%0.432CS..  trans-76.7162170.482.20000111.3K299 E303 Q304 R305K299-T301 PolarHBondContact O-N 3.17Å; T301-E303 WeakPolarHBondContact CB-OE2 3.43Å; T301-E303 PolarHBondContact O-N 3.09Å; T301-E303 PolarHBondContact OG1-OE2 3.2Å; T301-Q304 HydrophobicContact CG2-CG 4.47Å; T301-Q304 VanDerWaalsContact N-OE1 3.11Å; T301-Q304 WeakPolarHBondContact O-CB 3.45Å; T301-Q304 PolarHBondContact O-N 3.01Å; T301-Q304 VanDerWaalsContact O-N 3.12Å; T301-Q304 WeakPolarHBondContact OG1-CG 3.49Å; T301-Q304 PolarHBondContact OG1-N 2.77Å; T301-R305 PolarHBondContact O-N 2.92Å
302D76.2Confident76.7Confident134 Ų13478.9 Ų78.972%0.71740%0.401SS*.Hα-helixtrans-60.2-34.7179.2-74.4-42.9000112.3Q306D302-Q306 WeakPolarHBondContact O-CB 3.45Å; D302-Q306 PolarHBondContact O-N 2.98Å
303E84.2Confident79.4Confident140 Ų14078 Ų7865%0.65438%0.383SS*.Hα-helixtrans-68.5-42175.1-51.276.5-167.800111.7T301 Q306 Y307T301-E303 WeakPolarHBondContact CB-OE2 3.43Å; T301-E303 PolarHBondContact O-N 3.09Å; T301-E303 PolarHBondContact OG1-OE2 3.2Å; E303-Q306 PolarHBondContact O-N 2.83Å; E303-Y307 PolarHBondContact O-N 2.93Å
304Q88.4Confident82.1Confident69 Ų6979 Ų7932%0.32237%0.374SS..Hα-helixtrans-64-46174.5-69.9174.7-4.100110.8K299 I300 T301 Q306 Y307 Y308K299-Q304 PolarHBondContact O-OE1 3.35Å; I300-Q304 HydrophobicContact CG2-CB 3.87Å; T301-Q304 HydrophobicContact CG2-CG 4.47Å; T301-Q304 VanDerWaalsContact N-OE1 3.11Å; T301-Q304 WeakPolarHBondContact O-CB 3.45Å; T301-Q304 PolarHBondContact O-N 3.01Å; T301-Q304 VanDerWaalsContact O-N 3.12Å; T301-Q304 WeakPolarHBondContact OG1-CG 3.49Å; T301-Q304 PolarHBondContact OG1-N 2.77Å; Q304-Q306 VanDerWaalsContact C-N 3.3Å; Q304-Q306 PolarHBondContact O-N 2.98Å; Q304-Y307 CarbonylContact O-C 3.58Å; Q304-Y307 WeakPolarHBondContact O-CB 3.07Å; Q304-Y307 PolarHBondContact O-N 3.3Å; Q304-Y307 VanDerWaalsContact O-N 3.1Å; Q304-Y308 HydrophobicContact CB-CE1 4.35Å; Q304-Y308 HydrophobicContact CB-CE2 4.22Å; Q304-Y308 WeakPolarHBondContact O-CD1 3.38Å; Q304-Y308 PolarHBondContact O-N 3.3Å
305R89.1Confident84.6Confident102 Ų10270.9 Ų70.939%0.38535%0.345SS..Hα-helixtrans-60.1-41.9176.5-161.1178-173.6-178.51.9110.7I300 T301 Y307 Y308 I309 D360I300-R305 HydrophobicContact CG2-CB 3.72Å; I300-R305 HydrophobicContact CG2-CG 4.37Å; T301-R305 PolarHBondContact O-N 2.92Å; R305-Y307 VanDerWaalsContact C-N 3.33Å; R305-Y307 PolarHBondContact O-N 3.22Å; R305-Y308 PolarHBondContact O-N 2.99Å; R305-I309 HydrophobicContact CG-CD1 4.11Å; R305-I309 WeakPolarHBondContact O-CB 3.44Å; R305-I309 WeakPolarHBondContact O-CD1 3.26Å; R305-I309 VanDerWaalsContact O-CG1 3.22Å; R305-I309 WeakPolarHBondContact O-CG1 3.11Å; R305-I309 PolarHBondContact O-N 2.98Å; R305-D360 IonicContact CZ-OD1 3.84Å; R305-D360 IonicContact NE-OD1 2.65Å; R305-D360 VanDerWaalsContact NH2-CG 3.33Å; R305-D360 IonicContact NH2-OD1 3.74Å; R305-D360 PolarHBondContact NH2-OD1 2.86Å; R305-D360 IonicContact NH2-OD2 3.09Å; R305-D360 PolarHBondContact NH2-OD2 3.01Å
306Q90.1Very high86.7Confident94 Ų9468 Ų6844%0.43933%0.328SS..Hα-helixtrans-65.1-35.6176.2-1735688.900112.6D302 E303 Q304 N310D302-Q306 WeakPolarHBondContact O-CB 3.45Å; D302-Q306 PolarHBondContact O-N 2.98Å; E303-Q306 PolarHBondContact O-N 2.83Å; Q304-Q306 VanDerWaalsContact C-N 3.3Å; Q304-Q306 PolarHBondContact O-N 2.98Å; Q306-N310 PolarHBondContact NE2-OD1 3.25Å; Q306-N310 PolarHBondContact O-N 3.42Å; Q306-N310 VanDerWaalsContact O-N 3.16Å; Q306-N310 PolarHBondContact O-ND2 3.4Å
307Y93.5Very high87.9Confident125 Ų12569.9 Ų69.949%0.4934%0.343SS..Hα-helixtrans-66.4-42170.6176.5-109.7000112E303 Q304 R305 N310 Q311 F366E303-Y307 PolarHBondContact O-N 2.93Å; Q304-Y307 CarbonylContact O-C 3.58Å; Q304-Y307 WeakPolarHBondContact O-CB 3.07Å; Q304-Y307 PolarHBondContact O-N 3.3Å; Q304-Y307 VanDerWaalsContact O-N 3.1Å; R305-Y307 VanDerWaalsContact C-N 3.33Å; R305-Y307 PolarHBondContact O-N 3.22Å; Y307-N310 CarbonylContact O-C 3.58Å; Y307-N310 WeakPolarHBondContact O-CA 3.27Å; Y307-N310 WeakPolarHBondContact O-CB 3.18Å; Y307-N310 PolarHBondContact O-N 3.45Å; Y307-N310 VanDerWaalsContact O-N 3.11Å; Y307-Q311 HydrophobicContact CD1-CG 4.46Å; Y307-Q311 HydrophobicContact CE1-CG 4Å; Y307-Q311 HydrophobicContact CE2-CG 4.28Å; Y307-Q311 PolarHBondContact O-N 3.31Å; Y307-F366 HydrophobicContact CD1-CE1 4.35Å; Y307-F366 AromaticContact CE1-CE1 3.9Å; Y307-F366 HydrophobicContact CE1-CE1 3.9Å; Y307-F366 HydrophobicContact CE1-CZ 4.12Å
308Y93.8Very high88.9Confident6 Ų672.1 Ų72.12%0.02435%0.353CS..Hα-helixtrans-66.8-41.5178.6-56.1-13.4000111.8I300 Q304 R305 N310 Q311 F312 C363 F366 H367I300-Y308 HydrophobicContact CB-CE2 4.45Å; I300-Y308 HydrophobicContact CD1-CD2 4.23Å; I300-Y308 HydrophobicContact CD1-CE2 4.05Å; I300-Y308 HydrophobicContact CG1-CE2 4.07Å; I300-Y308 HydrophobicContact CG2-CD2 3.91Å; I300-Y308 HydrophobicContact CG2-CE2 3.62Å; Q304-Y308 HydrophobicContact CB-CE1 4.35Å; Q304-Y308 HydrophobicContact CB-CE2 4.22Å; Q304-Y308 WeakPolarHBondContact O-CD1 3.38Å; Q304-Y308 PolarHBondContact O-N 3.3Å; R305-Y308 PolarHBondContact O-N 2.99Å; Y308-N310 PolarHBondContact O-N 3.47Å; Y308-Q311 PolarHBondContact O-N 3.2Å; Y308-F312 WeakPolarHBondContact O-CB 3.26Å; Y308-F312 PolarHBondContact O-N 3.29Å; Y308-C363 HydrophobicContact CD2-CB 4.29Å; Y308-F366 AromaticContact CD1-CD1 3.26Å; Y308-F366 HydrophobicContact CD1-CD1 3.26Å; Y308-F366 AromaticContact CD1-CE1 3.5Å; Y308-F366 HydrophobicContact CD1-CE1 3.5Å; Y308-F366 VanDerWaalsContact CD1-CE1 3.5Å; Y308-F366 HydrophobicContact CD1-CG 4.39Å; Y308-F366 HydrophobicContact CD2-CD1 4.46Å; Y308-F366 AromaticContact CE1-CD1 3.4Å; Y308-F366 HydrophobicContact CE1-CD1 3.4Å; Y308-F366 VanDerWaalsContact CE1-CD1 3.4Å; Y308-F366 AromaticContact CE1-CE1 3.55Å; Y308-F366 HydrophobicContact CE1-CE1 3.55Å; Y308-F366 AromaticContact CG-CD1 3.86Å; Y308-F366 HydrophobicContact CG-CD1 3.86Å; Y308-F366 HydrophobicContact CG-CE1 4.48Å; Y308-H367 HydrophobicContact CE2-CB 3.79Å; Y308-H367 AromaticContact CE2-ND1 3.73Å; Y308-H367 AromaticContact CZ-ND1 3.77Å; Y308-H367 PolarHBondContact OH-ND1 3.21Å
309I92.3Very high89.3Confident28 Ų2873.2 Ų73.214%0.14436%0.362CS..Hα-helixtrans-55.8-38.6169.7-71.1162.2000110.9R305 K313 L319 L359R305-I309 HydrophobicContact CG-CD1 4.11Å; R305-I309 WeakPolarHBondContact O-CB 3.44Å; R305-I309 WeakPolarHBondContact O-CD1 3.26Å; R305-I309 VanDerWaalsContact O-CG1 3.22Å; R305-I309 WeakPolarHBondContact O-CG1 3.11Å; R305-I309 PolarHBondContact O-N 2.98Å; I309-K313 HydrophobicContact CG2-CD 4.46Å; I309-K313 VanDerWaalsContact O-CG 3.29Å; I309-K313 WeakPolarHBondContact O-CG 3.14Å; I309-K313 PolarHBondContact O-N 2.9Å; I309-K313 VanDerWaalsContact O-N 3.15Å; I309-L319 HydrophobicContact CG2-CD1 4.44Å; I309-L319 HydrophobicContact CG2-CD2 4.1Å; I309-L359 HydrophobicContact CG1-CD1 4.07Å; I309-L359 HydrophobicContact CG1-CD2 4.34Å
310N94.1Very high89.6Confident75 Ų7574.7 Ų74.740%0.40138%0.379SS..Hα-helixtrans-74.3-30.2177.3-68.7-18.8000112.7Q306 Y307 Y308Q306-N310 PolarHBondContact NE2-OD1 3.25Å; Q306-N310 PolarHBondContact O-N 3.42Å; Q306-N310 VanDerWaalsContact O-N 3.16Å; Q306-N310 PolarHBondContact O-ND2 3.4Å; Y307-N310 CarbonylContact O-C 3.58Å; Y307-N310 WeakPolarHBondContact O-CA 3.27Å; Y307-N310 WeakPolarHBondContact O-CB 3.18Å; Y307-N310 PolarHBondContact O-N 3.45Å; Y307-N310 VanDerWaalsContact O-N 3.11Å; Y308-N310 PolarHBondContact O-N 3.47Å
311Q95Very high89.8Confident44 Ų4473.2 Ų73.221%0.20638%0.375CS..Hα-helixtrans-69.6-45.8170-66.3-53.2-74.800111.7Y307 Y308 K313 T314 F331 F362 F366Y307-Q311 HydrophobicContact CD1-CG 4.46Å; Y307-Q311 HydrophobicContact CE1-CG 4Å; Y307-Q311 HydrophobicContact CE2-CG 4.28Å; Y307-Q311 PolarHBondContact O-N 3.31Å; Y308-Q311 PolarHBondContact O-N 3.2Å; Q311-K313 VanDerWaalsContact C-N 3.28Å; Q311-K313 PolarHBondContact O-N 2.62Å; Q311-T314 WeakPolarHBondContact O-CB 3.11Å; Q311-T314 PolarHBondContact O-N 3.12Å; Q311-T314 PolarHBondContact O-OG1 3.26Å; Q311-F331 HydrophobicContact CB-CZ 4.14Å; Q311-F362 HydrophobicContact CB-CE1 4.15Å; Q311-F362 HydrophobicContact CB-CZ 4.18Å; Q311-F366 HydrophobicContact CG-CE1 4.46Å; Q311-F366 HydrophobicContact CG-CE2 4.4Å; Q311-F366 HydrophobicContact CG-CZ 4.02Å
312F93.8Very high90.2Very high0 Ų074.8 Ų74.80%038%0.382CS..Hα-helixtrans-51-49175.6-177.2-82.4000111.1Y308 T314 I315 Q316 D318 L319 G321 I323 L359 F362Y308-F312 WeakPolarHBondContact O-CB 3.26Å; Y308-F312 PolarHBondContact O-N 3.29Å; F312-T314 PolarHBondContact O-N 3.12Å; F312-I315 PolarHBondContact O-N 2.74Å; F312-Q316 HydrophobicContact CD1-CB 4.37Å; F312-Q316 VanDerWaalsContact CD1-O 3.27Å; F312-Q316 WeakPolarHBondContact CD1-O 3.22Å; F312-Q316 HydrophobicContact CE1-CB 3.81Å; F312-Q316 HydrophobicContact CE1-CG 3.79Å; F312-Q316 VanDerWaalsContact CE1-O 3.32Å; F312-Q316 WeakPolarHBondContact CE1-O 3.4Å; F312-Q316 HydrophobicContact CZ-CB 4.03Å; F312-Q316 HydrophobicContact CZ-CG 3.92Å; F312-Q316 PolarHBondContact O-N 3.41Å; F312-D318 WeakPolarHBondContact CE1-O 3.48Å; F312-L319 HydrophobicContact CD1-CD2 3.86Å; F312-L319 HydrophobicContact CE1-CD2 4.21Å; F312-G321 WeakPolarHBondContact CZ-O 3.29Å; F312-I323 HydrophobicContact CD2-CD1 3.39Å; F312-I323 HydrophobicContact CD2-CG1 4.23Å; F312-I323 HydrophobicContact CE2-CD1 3.39Å; F312-I323 HydrophobicContact CE2-CG1 3.73Å; F312-I323 HydrophobicContact CG-CD1 4.12Å; F312-I323 HydrophobicContact CZ-CD1 4.13Å; F312-I323 HydrophobicContact CZ-CG1 4.09Å; F312-L359 HydrophobicContact CB-CD1 3.81Å; F312-L359 HydrophobicContact CD1-CD1 3.85Å; F312-L359 HydrophobicContact CD2-CB 4.47Å; F312-L359 HydrophobicContact CD2-CD1 3.67Å; F312-L359 HydrophobicContact CE1-CD1 4.33Å; F312-L359 HydrophobicContact CE2-CB 4.17Å; F312-L359 HydrophobicContact CE2-CD1 4.17Å; F312-L359 HydrophobicContact CG-CD1 3.49Å; F312-L359 VanDerWaalsContact CG-CD1 3.49Å; F312-L359 HydrophobicContact CZ-CB 4.3Å; F312-L359 HydrophobicContact CZ-CD1 4.47Å; F312-F362 HydrophobicContact CB-CD1 3.8Å; F312-F362 HydrophobicContact CB-CE1 3.81Å; F312-F362 HydrophobicContact CD2-CB 3.7Å; F312-F362 AromaticContact CD2-CD1 3.73Å; F312-F362 HydrophobicContact CD2-CD1 3.73Å; F312-F362 HydrophobicContact CD2-CD2 4.39Å; F312-F362 HydrophobicContact CD2-CE1 4.45Å; F312-F362 AromaticContact CD2-CG 3.68Å; F312-F362 HydrophobicContact CD2-CG 3.68Å; F312-F362 HydrophobicContact CE2-CB 4.11Å; F312-F362 HydrophobicContact CE2-CG 4.47Å; F312-F362 HydrophobicContact CG-CD1 4.27Å
313K93.3Very high91Very high93 Ų9368.4 Ų68.440%0.40435%0.348SS..Hα-helixtrans-57.9-17.1176.7-75173.7-176.4179.30115.6I309 Q311 Q316 L319I309-K313 HydrophobicContact CG2-CD 4.46Å; I309-K313 VanDerWaalsContact O-CG 3.29Å; I309-K313 WeakPolarHBondContact O-CG 3.14Å; I309-K313 PolarHBondContact O-N 2.9Å; I309-K313 VanDerWaalsContact O-N 3.15Å; Q311-K313 VanDerWaalsContact C-N 3.28Å; Q311-K313 PolarHBondContact O-N 2.62Å; K313-Q316 WeakPolarHBondContact CA-O 3.48Å; K313-L319 HydrophobicContact CD-CD2 4.47Å; K313-L319 HydrophobicContact CG-CD2 3.94Å
314T93.4Very high91.5Very high97 Ų9764.7 Ų64.760%0.59534%0.336SS*.Hα-helixtrans-81.5-17.6173.870.50000113.4Q311 F312Q311-T314 WeakPolarHBondContact O-CB 3.11Å; Q311-T314 PolarHBondContact O-N 3.12Å; Q311-T314 PolarHBondContact O-OG1 3.26Å; F312-T314 PolarHBondContact O-N 3.12Å
315I92.5Very high91.7Very high46 Ų4661.5 Ų61.524%0.23632%0.321CS..Hα-helixtrans-105.8-46.8-179-46.9162.9000109.5F312 I323 A327 F331 F362F312-I315 PolarHBondContact O-N 2.74Å; I315-I323 HydrophobicContact CB-CD1 4.07Å; I315-I323 HydrophobicContact CD1-CD1 3.94Å; I315-I323 HydrophobicContact CG2-CD1 4.16Å; I315-I323 HydrophobicContact CG2-CG1 4.26Å; I315-I323 HydrophobicContact CG2-CG2 3.88Å; I315-A327 HydrophobicContact CG2-CB 4.14Å; I315-F331 HydrophobicContact CD1-CB 3.87Å; I315-F331 HydrophobicContact CD1-CD1 3.66Å; I315-F331 HydrophobicContact CD1-CD2 3.53Å; I315-F331 HydrophobicContact CD1-CE1 4Å; I315-F331 HydrophobicContact CD1-CE2 3.9Å; I315-F331 HydrophobicContact CD1-CG 3.4Å; I315-F331 HydrophobicContact CD1-CZ 4.13Å; I315-F331 HydrophobicContact CG1-CD2 3.75Å; I315-F331 HydrophobicContact CG1-CE2 4.1Å; I315-F331 HydrophobicContact CG1-CG 4.1Å; I315-F362 HydrophobicContact CD1-CD2 4.4Å; I315-F362 HydrophobicContact CD1-CE2 3.45Å; I315-F362 VanDerWaalsContact CD1-CE2 3.45Å; I315-F362 HydrophobicContact CD1-CZ 3.79Å
316Q91.3Very high91.8Very high53 Ų5360 Ų6025%0.24833%0.326CS..  trans-135.8104.4-177.6177.862.7-80.100108.5F312 K313 D318 L322 I323F312-Q316 HydrophobicContact CD1-CB 4.37Å; F312-Q316 VanDerWaalsContact CD1-O 3.27Å; F312-Q316 WeakPolarHBondContact CD1-O 3.22Å; F312-Q316 HydrophobicContact CE1-CB 3.81Å; F312-Q316 HydrophobicContact CE1-CG 3.79Å; F312-Q316 VanDerWaalsContact CE1-O 3.32Å; F312-Q316 WeakPolarHBondContact CE1-O 3.4Å; F312-Q316 HydrophobicContact CZ-CB 4.03Å; F312-Q316 HydrophobicContact CZ-CG 3.92Å; F312-Q316 PolarHBondContact O-N 3.41Å; K313-Q316 WeakPolarHBondContact CA-O 3.48Å; Q316-D318 VanDerWaalsContact C-N 3.28Å; Q316-D318 WeakPolarHBondContact CG-O 3.42Å; Q316-D318 PolarHBondContact O-N 2.88Å; Q316-L322 PolarHBondContact NE2-O 2.86Å; Q316-I323 HydrophobicContact CB-CD1 4.29Å; Q316-I323 HydrophobicContact CB-CG1 3.66Å; Q316-I323 HydrophobicContact CG-CG1 4.4Å
317P89Confident92Very high102 Ų10256.9 Ų56.966%0.66232%0.317SS*.SBendtrans-70.7-22.3-17627.6-35.5000113.7
318D89.6Confident92Very high82 Ų8250.9 Ų50.944%0.43929%0.293SS..  trans-84.8114.2175-178-5000110.7F312 Q316 T320 G321F312-D318 WeakPolarHBondContact CE1-O 3.48Å; Q316-D318 VanDerWaalsContact C-N 3.28Å; Q316-D318 WeakPolarHBondContact CG-O 3.42Å; Q316-D318 PolarHBondContact O-N 2.88Å; D318-T320 PolarHBondContact O-N 3.46Å; D318-T320 VanDerWaalsContact O-N 3.17Å; D318-T320 WeakPolarHBondContact OD1-CA 3.48Å; D318-T320 PolarHBondContact OD1-N 3.42Å; D318-T320 PolarHBondContact OD1-OG1 3.13Å; D318-T320 PolarHBondContact OD2-OG1 3.44Å; D318-G321 PolarHBondContact O-N 3.11Å; D318-G321 PolarHBondContact OD1-N 3.43Å
319L87.8Confident91.9Very high69 Ų6952 Ų5236%0.36130%0.298SS..THydrogen-bonded Turntrans-67.3-10.6178.8-63.9-178.2000114.6I309 F312 K313 L359I309-L319 HydrophobicContact CG2-CD1 4.44Å; I309-L319 HydrophobicContact CG2-CD2 4.1Å; F312-L319 HydrophobicContact CD1-CD2 3.86Å; F312-L319 HydrophobicContact CE1-CD2 4.21Å; K313-L319 HydrophobicContact CD-CD2 4.47Å; K313-L319 HydrophobicContact CG-CD2 3.94Å; L319-L359 HydrophobicContact CB-CD2 4.3Å; L319-L359 HydrophobicContact CD2-CD1 4.12Å; L319-L359 HydrophobicContact CD2-CD2 4.1Å
320T86.2Confident91.9Very high124 Ų12457 Ų5776%0.76132%0.321SS*.THydrogen-bonded Turntrans-102.1-4.8171.162.50000113D318D318-T320 PolarHBondContact O-N 3.46Å; D318-T320 VanDerWaalsContact O-N 3.17Å; D318-T320 WeakPolarHBondContact OD1-CA 3.48Å; D318-T320 PolarHBondContact OD1-N 3.42Å; D318-T320 PolarHBondContact OD1-OG1 3.13Å; D318-T320 PolarHBondContact OD2-OG1 3.44Å
321G87.8Confident91.9Very high14 Ų1454.9 Ų54.914%0.14431%0.308CS..SBendtrans-77.5160.1173.200000112.4F312 D318F312-G321 WeakPolarHBondContact CZ-O 3.29Å; D318-G321 PolarHBondContact O-N 3.11Å; D318-G321 PolarHBondContact OD1-N 3.43Å
322L92.1Very high91.9Very high73 Ų7353.2 Ų53.238%0.38230%0.3SS..  trans-97.5147.2175-56.7174.7000110.4Q316 D354 A356 T358Q316-L322 PolarHBondContact NE2-O 2.86Å; L322-D354 WeakPolarHBondContact CD1-OD2 3.36Å; L322-A356 HydrophobicContact CB-CB 3.83Å; L322-A356 HydrophobicContact CD1-CB 4.35Å; L322-T358 HydrophobicContact CD2-CG2 3.45Å; L322-T358 VanDerWaalsContact CD2-CG2 3.45Å
323I94.2Very high91.9Very high1 Ų155.5 Ų55.51%0.00531%0.314CS..EExtended strand (participates in β ladder)trans-96.5109.9168.5-63.1174.6000108.2F312 I315 Q316 A327 A328 A356 L357 F362F312-I323 HydrophobicContact CD2-CD1 3.39Å; F312-I323 HydrophobicContact CD2-CG1 4.23Å; F312-I323 HydrophobicContact CE2-CD1 3.39Å; F312-I323 HydrophobicContact CE2-CG1 3.73Å; F312-I323 HydrophobicContact CG-CD1 4.12Å; F312-I323 HydrophobicContact CZ-CD1 4.13Å; F312-I323 HydrophobicContact CZ-CG1 4.09Å; I315-I323 HydrophobicContact CB-CD1 4.07Å; I315-I323 HydrophobicContact CD1-CD1 3.94Å; I315-I323 HydrophobicContact CG2-CD1 4.16Å; I315-I323 HydrophobicContact CG2-CG1 4.26Å; I315-I323 HydrophobicContact CG2-CG2 3.88Å; Q316-I323 HydrophobicContact CB-CD1 4.29Å; Q316-I323 HydrophobicContact CB-CG1 3.66Å; Q316-I323 HydrophobicContact CG-CG1 4.4Å; I323-A327 HydrophobicContact CG2-CB 4.02Å; I323-A328 HydrophobicContact CG2-CB 3.88Å; I323-A356 CarbonylContact O-C 3.59Å; I323-A356 WeakPolarHBondContact O-CA 3.46Å; I323-A356 WeakPolarHBondContact O-CB 3.23Å; I323-L357 PolarHBondContact N-O 2.77Å; I323-L357 PolarHBondContact O-N 2.96Å; I323-F362 HydrophobicContact CD1-CB 4.46Å; I323-F362 HydrophobicContact CD1-CD2 3.65Å; I323-F362 HydrophobicContact CD1-CE2 4.08Å; I323-F362 HydrophobicContact CD1-CG 4.11Å
324P94.5Very high91.8Very high62 Ų6258 Ų5840%0.40333%0.325SS..EExtended strand (participates in β ladder)trans-65148.9178.727.9-34.9000111.5S326 A327 A328P324-S326 PolarHBondContact O-N 3.11Å; P324-A327 HydrophobicContact CG-CB 4.15Å; P324-A327 PolarHBondContact O-N 2.92Å; P324-A328 PolarHBondContact O-N 3.27Å; P324-A328 VanDerWaalsContact O-N 3.08Å
325G92Very high91.7Very high2 Ų254.7 Ų54.72%0.02131%0.306CS..Hα-helixtrans-54-28.1-174.100000115.6K329 G355G325-K329 WeakPolarHBondContact O-CB 3.36Å; G325-K329 PolarHBondContact O-N 2.75Å; G325-G355 PolarHBondContact N-O 3.22Å
326S92.4Very high91.7Very high69 Ų6961.7 Ų61.748%0.48334%0.335SS..Hα-helixtrans-63.3-49.8171.751.50000112.9P324 K329 E330P324-S326 PolarHBondContact O-N 3.11Å; S326-K329 PolarHBondContact O-N 3.03Å; S326-E330 PolarHBondContact O-N 3.43Å
327A93.3Very high91.7Very high29 Ų2960.3 Ų60.324%0.2433%0.328CS..Hα-helixtrans-68-38.3178.800000111.7I315 I323 P324 E330 F331I315-A327 HydrophobicContact CG2-CB 4.14Å; I323-A327 HydrophobicContact CG2-CB 4.02Å; P324-A327 HydrophobicContact CG-CB 4.15Å; P324-A327 PolarHBondContact O-N 2.92Å; A327-E330 PolarHBondContact O-N 3.29Å; A327-F331 WeakPolarHBondContact O-CB 3.3Å; A327-F331 PolarHBondContact O-N 2.9Å
328A93.9Very high91.9Very high0 Ų058.6 Ų58.60%032%0.318CS..Hα-helixtrans-62.9-45.3172.900000111.9I323 P324 F331 F332 W346 L357I323-A328 HydrophobicContact CG2-CB 3.88Å; P324-A328 PolarHBondContact O-N 3.27Å; P324-A328 VanDerWaalsContact O-N 3.08Å; A328-F331 CarbonylContact O-C 3.6Å; A328-F331 WeakPolarHBondContact O-CB 3.28Å; A328-F331 PolarHBondContact O-N 2.64Å; A328-F331 VanDerWaalsContact O-N 3.08Å; A328-F332 HydrophobicContact CB-CD2 4.15Å; A328-F332 HydrophobicContact CB-CE2 3.94Å; A328-F332 WeakPolarHBondContact O-CD2 3.24Å; A328-F332 WeakPolarHBondContact O-CG 3.41Å; A328-F332 PolarHBondContact O-N 3.43Å; A328-W346 HydrophobicContact CB-CE3 4.26Å; A328-W346 HydrophobicContact CB-CH2 4.42Å; A328-W346 HydrophobicContact CB-CZ3 3.5Å; A328-L357 HydrophobicContact CB-CD1 4.09Å
329K90.5Very high91.9Very high30 Ų3056.9 Ų56.913%0.1331%0.308CS..Hα-helixtrans-60.4-46175173.1174.5172.6-170.20111.9G325 S326 F331 T333 D653 F654G325-K329 WeakPolarHBondContact O-CB 3.36Å; G325-K329 PolarHBondContact O-N 2.75Å; S326-K329 PolarHBondContact O-N 3.03Å; K329-F331 PolarHBondContact O-N 2.8Å; K329-T333 HydrophobicContact CG-CG2 4.41Å; K329-T333 WeakPolarHBondContact O-CB 3.48Å; K329-T333 VanDerWaalsContact O-CG2 3.24Å; K329-T333 WeakPolarHBondContact O-CG2 3.16Å; K329-T333 PolarHBondContact O-N 2.89Å; K329-T333 PolarHBondContact O-OG1 3.08Å; K329-D653 PolarHBondContact NZ-O 2.77Å; K329-F654 HydrophobicContact CB-CE1 4.13Å; K329-F654 HydrophobicContact CB-CZ 4.21Å; K329-F654 HydrophobicContact CD-CD1 4.19Å; K329-F654 HydrophobicContact CD-CE1 4.16Å; K329-F654 HydrophobicContact CG-CD1 4.13Å; K329-F654 HydrophobicContact CG-CE1 3.68Å; K329-F654 HydrophobicContact CG-CZ 4.22Å
330E93Very high92Very high132 Ų13260.5 Ų60.562%0.61733%0.327SS*.Hα-helixtrans-61.4-27.6173.3-78.1-177.2-148.800113.1S326 A327 T333 K334S326-E330 PolarHBondContact O-N 3.43Å; A327-E330 PolarHBondContact O-N 3.29Å; E330-T333 PolarHBondContact O-OG1 2.92Å; E330-K334 WeakPolarHBondContact O-CE 3.41Å; E330-K334 PolarHBondContact O-NZ 2.92Å
331F94.6Very high92.3Very high30 Ų3056.5 Ų56.513%0.13230%0.299CS..Hα-helixtrans-81.5-53.9175.7-172.8-102.1000112.2Q311 I315 A327 A328 K329 T333 K334 F362 F366Q311-F331 HydrophobicContact CB-CZ 4.14Å; I315-F331 HydrophobicContact CD1-CB 3.87Å; I315-F331 HydrophobicContact CD1-CD1 3.66Å; I315-F331 HydrophobicContact CD1-CD2 3.53Å; I315-F331 HydrophobicContact CD1-CE1 4Å; I315-F331 HydrophobicContact CD1-CE2 3.9Å; I315-F331 HydrophobicContact CD1-CG 3.4Å; I315-F331 HydrophobicContact CD1-CZ 4.13Å; I315-F331 HydrophobicContact CG1-CD2 3.75Å; I315-F331 HydrophobicContact CG1-CE2 4.1Å; I315-F331 HydrophobicContact CG1-CG 4.1Å; A327-F331 WeakPolarHBondContact O-CB 3.3Å; A327-F331 PolarHBondContact O-N 2.9Å; A328-F331 CarbonylContact O-C 3.6Å; A328-F331 WeakPolarHBondContact O-CB 3.28Å; A328-F331 PolarHBondContact O-N 2.64Å; A328-F331 VanDerWaalsContact O-N 3.08Å; K329-F331 PolarHBondContact O-N 2.8Å; F331-T333 PolarHBondContact O-N 2.86Å; F331-K334 VanDerWaalsContact O-CB 3.24Å; F331-K334 WeakPolarHBondContact O-CB 3.18Å; F331-K334 WeakPolarHBondContact O-CG 3.25Å; F331-K334 PolarHBondContact O-N 3.06Å; F331-K334 VanDerWaalsContact O-N 3.14Å; F331-F362 AromaticContact CD1-CE2 3.85Å; F331-F362 HydrophobicContact CD1-CE2 3.85Å; F331-F362 HydrophobicContact CD1-CZ 4.09Å; F331-F362 AromaticContact CE1-CE2 3.87Å; F331-F362 HydrophobicContact CE1-CE2 3.87Å; F331-F362 AromaticContact CE1-CZ 3.61Å; F331-F362 HydrophobicContact CE1-CZ 3.61Å; F331-F362 HydrophobicContact CZ-CZ 4.26Å; F331-F366 AromaticContact CE1-CD2 3.68Å; F331-F366 HydrophobicContact CE1-CD2 3.68Å; F331-F366 AromaticContact CE1-CE2 3.61Å; F331-F366 HydrophobicContact CE1-CE2 3.61Å; F331-F366 HydrophobicContact CZ-CD2 4.48Å; F331-F366 HydrophobicContact CZ-CE2 4.03Å
332F94.4Very high92.6Very high10 Ų1056 Ų564%0.04429%0.294CS..Hα-helixtrans-69.2-28.2-175.5-63.4-54000113.6A328 K334 S335 L342 L357 F362 A365 F366 V369A328-F332 HydrophobicContact CB-CD2 4.15Å; A328-F332 HydrophobicContact CB-CE2 3.94Å; A328-F332 WeakPolarHBondContact O-CD2 3.24Å; A328-F332 WeakPolarHBondContact O-CG 3.41Å; A328-F332 PolarHBondContact O-N 3.43Å; F332-K334 PolarHBondContact O-N 2.86Å; F332-S335 WeakPolarHBondContact O-CB 3.36Å; F332-S335 PolarHBondContact O-N 3.48Å; F332-S335 PolarHBondContact O-OG 3.42Å; F332-L342 HydrophobicContact CB-CD2 4.02Å; F332-L357 HydrophobicContact CE2-CD1 3.8Å; F332-L357 HydrophobicContact CZ-CD1 4.2Å; F332-F362 HydrophobicContact CE1-CD2 4.4Å; F332-F362 HydrophobicContact CE1-CE2 4.06Å; F332-F362 AromaticContact CZ-CD2 3.79Å; F332-F362 HydrophobicContact CZ-CD2 3.79Å; F332-F362 AromaticContact CZ-CE2 3.86Å; F332-F362 HydrophobicContact CZ-CE2 3.86Å; F332-A365 HydrophobicContact CE1-CB 4.24Å; F332-A365 HydrophobicContact CE2-CB 3.96Å; F332-A365 HydrophobicContact CZ-CB 3.51Å; F332-F366 HydrophobicContact CE1-CB 4.1Å; F332-F366 HydrophobicContact CE1-CD2 4.04Å; F332-V369 HydrophobicContact CD1-CG2 3.84Å; F332-V369 HydrophobicContact CE1-CG2 4.37Å; F332-V369 HydrophobicContact CG-CG2 4.37Å
333T93.9Very high92.6Very high47 Ų4753.8 Ų53.829%0.28828%0.284SS..G310 helixtrans-59.3-25.817245.30000113.1K329 E330 F331 S335 K336 L342K329-T333 HydrophobicContact CG-CG2 4.41Å; K329-T333 WeakPolarHBondContact O-CB 3.48Å; K329-T333 VanDerWaalsContact O-CG2 3.24Å; K329-T333 WeakPolarHBondContact O-CG2 3.16Å; K329-T333 PolarHBondContact O-N 2.89Å; K329-T333 PolarHBondContact O-OG1 3.08Å; E330-T333 PolarHBondContact O-OG1 2.92Å; F331-T333 PolarHBondContact O-N 2.86Å; T333-S335 PolarHBondContact O-N 3.28Å; T333-S335 VanDerWaalsContact O-N 3.16Å; T333-K336 PolarHBondContact O-N 3.02Å; T333-K336 VanDerWaalsContact O-N 3.1Å; T333-L342 HydrophobicContact CG2-CD1 3.94Å
334K91.6Very high92.4Very high147 Ų14756.7 Ų56.764%0.63930%0.297SS*.G310 helixtrans-64.4-16.4173.9-56176.2173.297.40113.2E330 F331 F332 K336E330-K334 WeakPolarHBondContact O-CE 3.41Å; E330-K334 PolarHBondContact O-NZ 2.92Å; F331-K334 VanDerWaalsContact O-CB 3.24Å; F331-K334 WeakPolarHBondContact O-CB 3.18Å; F331-K334 WeakPolarHBondContact O-CG 3.25Å; F331-K334 PolarHBondContact O-N 3.06Å; F331-K334 VanDerWaalsContact O-N 3.14Å; F332-K334 PolarHBondContact O-N 2.86Å; K334-K336 PolarHBondContact O-N 2.68Å
335S91.3Very high92.3Very high27 Ų2753.8 Ų53.819%0.18928%0.279CS..G310 helixtrans-68.8-20173.170.70000114.1F332 T333 L337 V369F332-S335 WeakPolarHBondContact O-CB 3.36Å; F332-S335 PolarHBondContact O-N 3.48Å; F332-S335 PolarHBondContact O-OG 3.42Å; T333-S335 PolarHBondContact O-N 3.28Å; T333-S335 VanDerWaalsContact O-N 3.16Å; S335-L337 PolarHBondContact O-N 3.08Å; S335-L337 PolarHBondContact OG-N 3.4Å; S335-V369 VanDerWaalsContact CB-CG1 3.45Å
336K92.9Very high92.4Very high193 Ų19354.3 Ų54.384%0.83928%0.28SS*.  trans62.818.8-171.4-51.4-173.9178.9-1730115.3T333 K334T333-K336 PolarHBondContact O-N 3.02Å; T333-K336 VanDerWaalsContact O-N 3.1Å; K334-K336 PolarHBondContact O-N 2.68Å
337L91.3Very high92.4Very high23 Ų2356.5 Ų56.512%0.1228%0.282CS..  trans-68.4152.5168-66.2-177.8000111.5S335 L342 I345 V369 R372 K373S335-L337 PolarHBondContact O-N 3.08Å; S335-L337 PolarHBondContact OG-N 3.4Å; L337-L342 HydrophobicContact CB-CD2 3.92Å; L337-L342 HydrophobicContact CB-CG 4.14Å; L337-L342 HydrophobicContact CD1-CD2 4.24Å; L337-I345 HydrophobicContact CD1-CD1 3.98Å; L337-V369 HydrophobicContact CD1-CB 4.27Å; L337-V369 HydrophobicContact CD1-CG1 4.01Å; L337-V369 HydrophobicContact CD1-CG2 4.26Å; L337-R372 HydrophobicContact CD1-CB 3.96Å; L337-R372 HydrophobicContact CD1-CG 3.88Å; L337-R372 HydrophobicContact CD2-CG 3.89Å; L337-K373 HydrophobicContact CD2-CB 4.29Å
338P93Very high92.2Very high67 Ų6756 Ų5644%0.43528%0.276SS..  trans-54143.3174.3-26.334.4000113.4L340 E341 L342P338-L340 PolarHBondContact O-N 3.41Å; P338-E341 HydrophobicContact CB-CB 4.36Å; P338-E341 HydrophobicContact CB-CG 4.1Å; P338-E341 WeakPolarHBondContact CD-OE2 3.33Å; P338-E341 HydrophobicContact CG-CG 4.21Å; P338-E341 WeakPolarHBondContact O-CB 3.41Å; P338-E341 PolarHBondContact O-N 2.67Å; P338-L342 PolarHBondContact O-N 3.17Å
339I89.5Confident92.1Very high45 Ų4556 Ų5623%0.23128%0.276CS..Hα-helixtrans-51.4-41.3179.3-65.5173.2000112.1L342 S343 F654 F657 Q658I339-L342 PolarHBondContact O-N 2.82Å; I339-S343 PolarHBondContact O-N 3.31Å; I339-S343 VanDerWaalsContact O-N 3.12Å; I339-F654 HydrophobicContact CG2-CB 3.69Å; I339-F654 VanDerWaalsContact CG2-O 3.23Å; I339-F654 WeakPolarHBondContact CG2-O 3.16Å; I339-F657 HydrophobicContact CD1-CB 3.68Å; I339-F657 HydrophobicContact CG1-CB 4.36Å; I339-Q658 HydrophobicContact CD1-CB 4.5Å
340L89.9Confident92.1Very high146 Ų14655.1 Ų55.176%0.76427%0.273SS*.Hα-helixtrans-69-36.8178.1-61.7174.3000112.8P338 S343 H344P338-L340 PolarHBondContact O-N 3.41Å; L340-S343 PolarHBondContact O-N 3.07Å; L340-H344 PolarHBondContact O-N 2.92Å
341E92.7Very high91.8Very high39 Ų3952.2 Ų52.218%0.18226%0.258CS..Hα-helixtrans-70.5-35.6177-66.9-176.8-173.200111P338 H344 I345 R372 L378P338-E341 HydrophobicContact CB-CB 4.36Å; P338-E341 HydrophobicContact CB-CG 4.1Å; P338-E341 WeakPolarHBondContact CD-OE2 3.33Å; P338-E341 HydrophobicContact CG-CG 4.21Å; P338-E341 WeakPolarHBondContact O-CB 3.41Å; P338-E341 PolarHBondContact O-N 2.67Å; E341-H344 PolarHBondContact O-N 3.07Å; E341-I345 WeakPolarHBondContact O-CB 3.18Å; E341-I345 WeakPolarHBondContact O-CG1 3.44Å; E341-I345 PolarHBondContact O-N 3.46Å; E341-R372 IonicContact OE1-CZ 3.37Å; E341-R372 IonicContact OE1-NE 3.84Å; E341-R372 PolarHBondContact OE1-NE 3.44Å; E341-R372 IonicContact OE1-NH2 3.74Å; E341-R372 PolarHBondContact OE1-NH2 3.37Å; E341-R372 WeakPolarHBondContact OE2-CG 3.26Å; E341-R372 IonicContact OE2-CZ 2.73Å; E341-R372 IonicContact OE2-NE 3.38Å; E341-R372 PolarHBondContact OE2-NE 3.42Å; E341-R372 IonicContact OE2-NH2 2.85Å; E341-L378 HydrophobicContact CB-CD1 3.89Å; E341-L378 HydrophobicContact CG-CD1 4.2Å
342L93.1Very high91.4Very high5 Ų556.3 Ų56.33%0.02628%0.281CS..Hα-helixtrans-67.9-33.5173.4-64.8-178.4000112.8F332 T333 L337 P338 I339 I345 W346 V369 F654F332-L342 HydrophobicContact CB-CD2 4.02Å; T333-L342 HydrophobicContact CG2-CD1 3.94Å; L337-L342 HydrophobicContact CB-CD2 3.92Å; L337-L342 HydrophobicContact CB-CG 4.14Å; L337-L342 HydrophobicContact CD1-CD2 4.24Å; P338-L342 PolarHBondContact O-N 3.17Å; I339-L342 PolarHBondContact O-N 2.82Å; L342-I345 HydrophobicContact CD2-CD1 4.4Å; L342-W346 WeakPolarHBondContact O-CB 3.43Å; L342-W346 PolarHBondContact O-N 2.94Å; L342-V369 HydrophobicContact CD2-CG2 4.17Å; L342-F654 HydrophobicContact CB-CD1 4Å; L342-F654 HydrophobicContact CB-CE1 3.53Å; L342-F654 HydrophobicContact CB-CZ 3.86Å; L342-F654 HydrophobicContact CD1-CE1 4.24Å
343S92.1Very high91.2Very high25 Ų2563.1 Ų63.118%0.17531%0.311CS..Hα-helixtrans-64.2-50.1170-158.30000111.1I339 L340 I345 W346 E347I339-S343 PolarHBondContact O-N 3.31Å; I339-S343 VanDerWaalsContact O-N 3.12Å; L340-S343 PolarHBondContact O-N 3.07Å; S343-I345 VanDerWaalsContact C-N 3.33Å; S343-I345 PolarHBondContact O-N 2.67Å; S343-W346 WeakPolarHBondContact O-CA 3.44Å; S343-W346 WeakPolarHBondContact O-CB 3.43Å; S343-W346 PolarHBondContact O-N 3.47Å; S343-E347 WeakPolarHBondContact CB-OE1 3.31Å; S343-E347 WeakPolarHBondContact O-CB 3.42Å; S343-E347 VanDerWaalsContact O-CG 3.3Å; S343-E347 WeakPolarHBondContact O-CG 3.3Å; S343-E347 PolarHBondContact O-N 3.3Å; S343-E347 PolarHBondContact OG-OE1 2.81Å
344H90.4Very high91Very high62 Ų6264.9 Ų64.929%0.28732%0.318SS..Hα-helixtrans-61.1-40.1178.1-170.865.3000112.3L340 E341 W346 E347 L348 P379L340-H344 PolarHBondContact O-N 2.92Å; E341-H344 PolarHBondContact O-N 3.07Å; H344-W346 PolarHBondContact O-N 3.35Å; H344-E347 PolarHBondContact O-N 3.23Å; H344-L348 WeakPolarHBondContact NE2-CD1 3.49Å; H344-L348 WeakPolarHBondContact O-CB 3.29Å; H344-L348 WeakPolarHBondContact O-CG 3.48Å; H344-L348 PolarHBondContact O-N 2.83Å; H344-P379 PolarHBondContact NE2-O 3.43Å
345I93.3Very high91Very high2 Ų258.6 Ų58.61%0.0130%0.296CS..Hα-helixtrans-61.9-41.8173.5-71.5168.1000111.6L337 E341 L342 S343 L348 S349 A365 L368 V369 L378L337-I345 HydrophobicContact CD1-CD1 3.98Å; E341-I345 WeakPolarHBondContact O-CB 3.18Å; E341-I345 WeakPolarHBondContact O-CG1 3.44Å; E341-I345 PolarHBondContact O-N 3.46Å; L342-I345 HydrophobicContact CD2-CD1 4.4Å; S343-I345 VanDerWaalsContact C-N 3.33Å; S343-I345 PolarHBondContact O-N 2.67Å; I345-L348 PolarHBondContact O-N 3.3Å; I345-S349 WeakPolarHBondContact O-CB 3.3Å; I345-S349 PolarHBondContact O-N 3.19Å; I345-S349 PolarHBondContact O-OG 2.84Å; I345-A365 HydrophobicContact CG2-CB 4.12Å; I345-L368 HydrophobicContact CB-CD1 4.43Å; I345-L368 HydrophobicContact CD1-CB 4.31Å; I345-L368 HydrophobicContact CG1-CB 3.97Å; I345-L368 HydrophobicContact CG1-CD1 4.29Å; I345-L368 HydrophobicContact CG2-CB 4.01Å; I345-L368 HydrophobicContact CG2-CD1 4.11Å; I345-V369 HydrophobicContact CD1-CG2 3.76Å; I345-V369 HydrophobicContact CG2-CG2 4.16Å; I345-L378 HydrophobicContact CD1-CD1 3.99Å; I345-L378 HydrophobicContact CD1-CD2 3.91Å; I345-L378 HydrophobicContact CG1-CD1 3.73Å; I345-L378 HydrophobicContact CG1-CD2 3.61Å; I345-L378 HydrophobicContact CG1-CG 4.34Å
346W93.4Very high91.1Very high13 Ų1357.8 Ų57.85%0.04929%0.29CS..Hα-helixtrans-60.6-53.5174.3178.6-81.9000110.8A328 L342 S343 H344 L348 S349 D350 A356 L357 A652 F654A328-W346 HydrophobicContact CB-CE3 4.26Å; A328-W346 HydrophobicContact CB-CH2 4.42Å; A328-W346 HydrophobicContact CB-CZ3 3.5Å; L342-W346 WeakPolarHBondContact O-CB 3.43Å; L342-W346 PolarHBondContact O-N 2.94Å; S343-W346 WeakPolarHBondContact O-CA 3.44Å; S343-W346 WeakPolarHBondContact O-CB 3.43Å; S343-W346 PolarHBondContact O-N 3.47Å; H344-W346 PolarHBondContact O-N 3.35Å; W346-L348 PolarHBondContact O-N 3.06Å; W346-L348 VanDerWaalsContact O-N 3.14Å; W346-S349 PolarHBondContact O-N 3.48Å; W346-D350 HydrophobicContact CD2-CB 4.46Å; W346-D350 HydrophobicContact CZ2-CB 4.04Å; W346-D350 WeakPolarHBondContact CZ2-OD2 3.25Å; W346-D350 PolarHBondContact NE1-OD2 3.45Å; W346-D350 WeakPolarHBondContact O-CB 3.24Å; W346-D350 PolarHBondContact O-N 2.92Å; W346-A356 WeakPolarHBondContact CH2-O 3.48Å; W346-L357 HydrophobicContact CE3-CD1 4.16Å; W346-L357 HydrophobicContact CE3-CD2 4.41Å; W346-L357 HydrophobicContact CE3-CG 4.34Å; W346-L357 HydrophobicContact CH2-CD1 4.27Å; W346-L357 HydrophobicContact CH2-CD2 4.06Å; W346-L357 HydrophobicContact CH2-CG 3.7Å; W346-L357 HydrophobicContact CZ3-CD1 3.58Å; W346-L357 HydrophobicContact CZ3-CD2 3.98Å; W346-L357 HydrophobicContact CZ3-CG 3.53Å; W346-A652 HydrophobicContact CD2-CB 3.93Å; W346-A652 HydrophobicContact CG-CB 3.9Å; W346-F654 HydrophobicContact CB-CE2 3.99Å; W346-F654 HydrophobicContact CG-CE2 4.45Å
347E92.1Very high91.2Very high114 Ų11448.6 Ų48.653%0.53325%0.25SS..Hα-helixtrans-62.7-20.9-177.9-67.6165-121.600114S343 H344S343-E347 WeakPolarHBondContact CB-OE1 3.31Å; S343-E347 WeakPolarHBondContact O-CB 3.42Å; S343-E347 VanDerWaalsContact O-CG 3.3Å; S343-E347 WeakPolarHBondContact O-CG 3.3Å; S343-E347 PolarHBondContact O-N 3.3Å; S343-E347 PolarHBondContact OG-OE1 2.81Å; H344-E347 PolarHBondContact O-N 3.23Å
348L89.5Confident91.3Very high18 Ų1849.9 Ų49.99%0.09426%0.259CS..Hα-helixtrans-85.6-18.4171.9-75.8174.6000114.6H344 I345 W346 L368 P379 L382H344-L348 WeakPolarHBondContact NE2-CD1 3.49Å; H344-L348 WeakPolarHBondContact O-CB 3.29Å; H344-L348 WeakPolarHBondContact O-CG 3.48Å; H344-L348 PolarHBondContact O-N 2.83Å; I345-L348 PolarHBondContact O-N 3.3Å; W346-L348 PolarHBondContact O-N 3.06Å; W346-L348 VanDerWaalsContact O-N 3.14Å; L348-L368 HydrophobicContact CB-CD1 3.92Å; L348-L368 HydrophobicContact CD1-CD1 3.76Å; L348-P379 HydrophobicContact CD1-CG 4.3Å; L348-P379 WeakPolarHBondContact CD1-O 3.41Å; L348-L382 HydrophobicContact CB-CD1 4.27Å; L348-L382 HydrophobicContact CD2-CB 4.37Å
349S91.1Very high91.2Very high0 Ų048.2 Ų48.20%025%0.246CC..Hα-helixtrans-118.4-20.9-168-47.80000114.2I345 W346 F351 E361 A365I345-S349 WeakPolarHBondContact O-CB 3.3Å; I345-S349 PolarHBondContact O-N 3.19Å; I345-S349 PolarHBondContact O-OG 2.84Å; W346-S349 PolarHBondContact O-N 3.48Å; S349-F351 WeakPolarHBondContact O-CD2 3.36Å; S349-F351 WeakPolarHBondContact O-CE2 3.44Å; S349-F351 PolarHBondContact O-N 3.1Å; S349-E361 VanDerWaalsContact O-CB 3.27Å; S349-E361 WeakPolarHBondContact O-CB 3.43Å; S349-E361 VanDerWaalsContact O-CG 3.26Å; S349-E361 WeakPolarHBondContact O-CG 3.48Å; S349-A365 VanDerWaalsContact OG-CA 3.3Å; S349-A365 WeakPolarHBondContact OG-CA 3.31Å; S349-A365 WeakPolarHBondContact OG-CB 3.36Å; S349-A365 PolarHBondContact OG-N 3.11Å
350D91.5Very high91.3Very high13 Ų1348 Ų487%0.0725%0.246CC..  trans-87.490.2169.5174.712.1000107.7W346 K353 D354 L357W346-D350 HydrophobicContact CD2-CB 4.46Å; W346-D350 HydrophobicContact CZ2-CB 4.04Å; W346-D350 WeakPolarHBondContact CZ2-OD2 3.25Å; W346-D350 PolarHBondContact NE1-OD2 3.45Å; W346-D350 WeakPolarHBondContact O-CB 3.24Å; W346-D350 PolarHBondContact O-N 2.92Å; D350-K353 WeakPolarHBondContact OD1-CA 3.16Å; D350-K353 PolarHBondContact OD1-N 2.95Å; D350-K353 VanDerWaalsContact OD1-N 3.1Å; D350-D354 PolarHBondContact OD1-N 3.03Å; D350-L357 HydrophobicContact CB-CD2 4.2Å
351F86.8Confident91.5Very high71 Ų7141.5 Ų41.531%0.31121%0.212SC..SBendtrans-83.9-40.9-167-60.7-97.7000113S349 E361 L382 M387 P388S349-F351 WeakPolarHBondContact O-CD2 3.36Å; S349-F351 WeakPolarHBondContact O-CE2 3.44Å; S349-F351 PolarHBondContact O-N 3.1Å; F351-E361 HydrophobicContact CD2-CG 3.67Å; F351-E361 WeakPolarHBondContact CD2-OE1 3.46Å; F351-E361 HydrophobicContact CE2-CG 3.8Å; F351-E361 PolarHBondContact N-OE1 3.41Å; F351-L382 HydrophobicContact CE1-CD2 3.52Å; F351-L382 HydrophobicContact CE2-CD2 4.38Å; F351-L382 HydrophobicContact CZ-CD2 3.2Å; F351-M387 HydrophobicContact CE1-CG 4.08Å; F351-P388 HydrophobicContact CD2-CG 3.96Å; F351-P388 HydrophobicContact CE2-CG 3.54Å; F351-P388 HydrophobicContact CZ-CG 4.12Å
352D86.3Confident91.6Very high115 Ų11539.7 Ų39.762%0.61520%0.203SC*.SBendtrans-86-14.1179.270.91.6000112.8D354D352-D354 PolarHBondContact OD1-N 3.39Å
353K89.9Confident91.6Very high154 Ų15439.5 Ų39.567%0.6720%0.202SC*.  trans7134.7173.7-49.5-165.1178.4-1560112.6D350 G355D350-K353 WeakPolarHBondContact OD1-CA 3.16Å; D350-K353 PolarHBondContact OD1-N 2.95Å; D350-K353 VanDerWaalsContact OD1-N 3.1Å; K353-G355 VanDerWaalsContact C-N 3.32Å
354D89.8Confident91.6Very high83 Ų8338.4 Ų38.444%0.44419%0.194SC..SBendtrans-75.8-18175.699.4-32.3000113.5L322 D350 D352 A356L322-D354 WeakPolarHBondContact CD1-OD2 3.36Å; D350-D354 PolarHBondContact OD1-N 3.03Å; D352-D354 PolarHBondContact OD1-N 3.39Å; D354-A356 WeakPolarHBondContact OD1-CA 2.9Å; D354-A356 VanDerWaalsContact OD1-CB 3.31Å; D354-A356 WeakPolarHBondContact OD1-CB 3.42Å; D354-A356 PolarHBondContact OD1-N 3.33Å
355G91.3Very high91.8Very high16 Ų1635.4 Ų35.417%0.16518%0.181CC..SBendtrans90.813.2-179.900000114.7G325 K353G325-G355 PolarHBondContact N-O 3.22Å; K353-G355 VanDerWaalsContact C-N 3.32Å
356A93.7Very high91.8Very high9 Ų936.4 Ų36.47%0.07419%0.185CC..EExtended strand (participates in β ladder)trans-127.8-170.317200000110.7L322 I323 W346 D354L322-A356 HydrophobicContact CB-CB 3.83Å; L322-A356 HydrophobicContact CD1-CB 4.35Å; I323-A356 CarbonylContact O-C 3.59Å; I323-A356 WeakPolarHBondContact O-CA 3.46Å; I323-A356 WeakPolarHBondContact O-CB 3.23Å; W346-A356 WeakPolarHBondContact CH2-O 3.48Å; D354-A356 WeakPolarHBondContact OD1-CA 2.9Å; D354-A356 VanDerWaalsContact OD1-CB 3.31Å; D354-A356 WeakPolarHBondContact OD1-CB 3.42Å; D354-A356 PolarHBondContact OD1-N 3.33Å
357L94.1Very high91.8Very high0 Ų036.2 Ų36.20%019%0.185CC..EExtended strand (participates in β ladder)trans-138.7128.5171.9-60.4171.2000109.4I323 A328 F332 W346 D350 E361 F362 A365I323-L357 PolarHBondContact N-O 2.77Å; I323-L357 PolarHBondContact O-N 2.96Å; A328-L357 HydrophobicContact CB-CD1 4.09Å; F332-L357 HydrophobicContact CE2-CD1 3.8Å; F332-L357 HydrophobicContact CZ-CD1 4.2Å; W346-L357 HydrophobicContact CE3-CD1 4.16Å; W346-L357 HydrophobicContact CE3-CD2 4.41Å; W346-L357 HydrophobicContact CE3-CG 4.34Å; W346-L357 HydrophobicContact CH2-CD1 4.27Å; W346-L357 HydrophobicContact CH2-CD2 4.06Å; W346-L357 HydrophobicContact CH2-CG 3.7Å; W346-L357 HydrophobicContact CZ3-CD1 3.58Å; W346-L357 HydrophobicContact CZ3-CD2 3.98Å; W346-L357 HydrophobicContact CZ3-CG 3.53Å; D350-L357 HydrophobicContact CB-CD2 4.2Å; L357-E361 HydrophobicContact CB-CB 4.04Å; L357-E361 HydrophobicContact CD2-CB 3.85Å; L357-F362 HydrophobicContact CB-CB 4.39Å; L357-A365 HydrophobicContact CD1-CB 4.25Å
358T93.8Very high91.8Very high51 Ų5130.8 Ų30.831%0.31316%0.159SC..  trans-66.8175.8161.562.50000111.5L322 D360 E361 F362L322-T358 HydrophobicContact CD2-CG2 3.45Å; L322-T358 VanDerWaalsContact CD2-CG2 3.45Å; T358-D360 VanDerWaalsContact C-N 3.35Å; T358-D360 PolarHBondContact O-N 2.68Å; T358-E361 VanDerWaalsContact CB-OE2 3.25Å; T358-E361 WeakPolarHBondContact CB-OE2 3.35Å; T358-E361 VanDerWaalsContact CG2-OE2 3.24Å; T358-E361 WeakPolarHBondContact CG2-OE2 3.24Å; T358-E361 PolarHBondContact N-OE2 2.91Å; T358-E361 PolarHBondContact O-N 3.26Å; T358-E361 VanDerWaalsContact OG1-CD 3.32Å; T358-E361 WeakPolarHBondContact OG1-CG 3.43Å; T358-E361 PolarHBondContact OG1-N 2.91Å; T358-E361 PolarHBondContact OG1-OE2 3.44Å; T358-F362 WeakPolarHBondContact O-CB 3.26Å; T358-F362 PolarHBondContact O-N 3.03Å
359L92.3Very high92Very high31 Ų3130.2 Ų30.216%0.16216%0.157CC..Hα-helixtrans-57.6-42.3175.9178.462.2000113.6I309 F312 L319 C363I309-L359 HydrophobicContact CG1-CD1 4.07Å; I309-L359 HydrophobicContact CG1-CD2 4.34Å; F312-L359 HydrophobicContact CB-CD1 3.81Å; F312-L359 HydrophobicContact CD1-CD1 3.85Å; F312-L359 HydrophobicContact CD2-CB 4.47Å; F312-L359 HydrophobicContact CD2-CD1 3.67Å; F312-L359 HydrophobicContact CE1-CD1 4.33Å; F312-L359 HydrophobicContact CE2-CB 4.17Å; F312-L359 HydrophobicContact CE2-CD1 4.17Å; F312-L359 HydrophobicContact CG-CD1 3.49Å; F312-L359 VanDerWaalsContact CG-CD1 3.49Å; F312-L359 HydrophobicContact CZ-CB 4.3Å; F312-L359 HydrophobicContact CZ-CD1 4.47Å; L319-L359 HydrophobicContact CB-CD2 4.3Å; L319-L359 HydrophobicContact CD2-CD1 4.12Å; L319-L359 HydrophobicContact CD2-CD2 4.1Å; L359-C363 PolarHBondContact O-N 2.92Å; L359-C363 PolarHBondContact O-SG 3.41Å
360D90.8Very high92Very high40 Ų4032 Ų3221%0.21417%0.167CC..Hα-helixtrans-77.5-33.6-176.5-79.1-16.4000111.9R305 T358 C363 A364 P388R305-D360 IonicContact CZ-OD1 3.84Å; R305-D360 IonicContact NE-OD1 2.65Å; R305-D360 VanDerWaalsContact NH2-CG 3.33Å; R305-D360 IonicContact NH2-OD1 3.74Å; R305-D360 PolarHBondContact NH2-OD1 2.86Å; R305-D360 IonicContact NH2-OD2 3.09Å; R305-D360 PolarHBondContact NH2-OD2 3.01Å; T358-D360 VanDerWaalsContact C-N 3.35Å; T358-D360 PolarHBondContact O-N 2.68Å; D360-C363 WeakPolarHBondContact O-CB 3.37Å; D360-C363 PolarHBondContact O-N 2.95Å; D360-A364 PolarHBondContact O-N 2.97Å; D360-P388 HydrophobicContact CB-CB 3.98Å; D360-P388 HydrophobicContact CB-CG 4.03Å
361E93.3Very high91.9Very high11 Ų1131.6 Ų31.65%0.05117%0.166CC..Hα-helixtrans-66.4-42171.7-68175.8124.500112S349 F351 L357 T358 C363 A364 A365 P388S349-E361 VanDerWaalsContact O-CB 3.27Å; S349-E361 WeakPolarHBondContact O-CB 3.43Å; S349-E361 VanDerWaalsContact O-CG 3.26Å; S349-E361 WeakPolarHBondContact O-CG 3.48Å; F351-E361 HydrophobicContact CD2-CG 3.67Å; F351-E361 WeakPolarHBondContact CD2-OE1 3.46Å; F351-E361 HydrophobicContact CE2-CG 3.8Å; F351-E361 PolarHBondContact N-OE1 3.41Å; L357-E361 HydrophobicContact CB-CB 4.04Å; L357-E361 HydrophobicContact CD2-CB 3.85Å; T358-E361 VanDerWaalsContact CB-OE2 3.25Å; T358-E361 WeakPolarHBondContact CB-OE2 3.35Å; T358-E361 VanDerWaalsContact CG2-OE2 3.24Å; T358-E361 WeakPolarHBondContact CG2-OE2 3.24Å; T358-E361 PolarHBondContact N-OE2 2.91Å; T358-E361 PolarHBondContact O-N 3.26Å; T358-E361 VanDerWaalsContact OG1-CD 3.32Å; T358-E361 WeakPolarHBondContact OG1-CG 3.43Å; T358-E361 PolarHBondContact OG1-N 2.91Å; T358-E361 PolarHBondContact OG1-OE2 3.44Å; E361-C363 VanDerWaalsContact C-N 3.31Å; E361-C363 PolarHBondContact O-N 3.23Å; E361-A364 PolarHBondContact O-N 3.06Å; E361-A365 WeakPolarHBondContact O-CB 3.49Å; E361-A365 PolarHBondContact O-N 3.42Å; E361-P388 HydrophobicContact CG-CG 3.9Å
362F94.6Very high92.1Very high0 Ų030.9 Ų30.90%016%0.161CC..Hα-helixtrans-62.8-37.5170.2177.5-90.2000112Q311 F312 I315 I323 F331 F332 L357 T358 F366Q311-F362 HydrophobicContact CB-CE1 4.15Å; Q311-F362 HydrophobicContact CB-CZ 4.18Å; F312-F362 HydrophobicContact CB-CD1 3.8Å; F312-F362 HydrophobicContact CB-CE1 3.81Å; F312-F362 HydrophobicContact CD2-CB 3.7Å; F312-F362 AromaticContact CD2-CD1 3.73Å; F312-F362 HydrophobicContact CD2-CD1 3.73Å; F312-F362 HydrophobicContact CD2-CD2 4.39Å; F312-F362 HydrophobicContact CD2-CE1 4.45Å; F312-F362 AromaticContact CD2-CG 3.68Å; F312-F362 HydrophobicContact CD2-CG 3.68Å; F312-F362 HydrophobicContact CE2-CB 4.11Å; F312-F362 HydrophobicContact CE2-CG 4.47Å; F312-F362 HydrophobicContact CG-CD1 4.27Å; I315-F362 HydrophobicContact CD1-CD2 4.4Å; I315-F362 HydrophobicContact CD1-CE2 3.45Å; I315-F362 VanDerWaalsContact CD1-CE2 3.45Å; I315-F362 HydrophobicContact CD1-CZ 3.79Å; I323-F362 HydrophobicContact CD1-CB 4.46Å; I323-F362 HydrophobicContact CD1-CD2 3.65Å; I323-F362 HydrophobicContact CD1-CE2 4.08Å; I323-F362 HydrophobicContact CD1-CG 4.11Å; F331-F362 AromaticContact CD1-CE2 3.85Å; F331-F362 HydrophobicContact CD1-CE2 3.85Å; F331-F362 HydrophobicContact CD1-CZ 4.09Å; F331-F362 AromaticContact CE1-CE2 3.87Å; F331-F362 HydrophobicContact CE1-CE2 3.87Å; F331-F362 AromaticContact CE1-CZ 3.61Å; F331-F362 HydrophobicContact CE1-CZ 3.61Å; F331-F362 HydrophobicContact CZ-CZ 4.26Å; F332-F362 HydrophobicContact CE1-CD2 4.4Å; F332-F362 HydrophobicContact CE1-CE2 4.06Å; F332-F362 AromaticContact CZ-CD2 3.79Å; F332-F362 HydrophobicContact CZ-CD2 3.79Å; F332-F362 AromaticContact CZ-CE2 3.86Å; F332-F362 HydrophobicContact CZ-CE2 3.86Å; L357-F362 HydrophobicContact CB-CB 4.39Å; T358-F362 WeakPolarHBondContact O-CB 3.26Å; T358-F362 PolarHBondContact O-N 3.03Å; F362-F366 HydrophobicContact CE1-CB 4.26Å; F362-F366 HydrophobicContact CZ-CB 4.44Å; F362-F366 HydrophobicContact CZ-CD2 4.19Å; F362-F366 WeakPolarHBondContact O-CB 3.46Å; F362-F366 PolarHBondContact O-N 2.93Å
363C93.3Very high92.3Very high2 Ų231.6 Ų31.61%0.01416%0.159CC..Hα-helixtrans-63.3-41.6174-73.10000111.7I300 Y308 L359 D360 E361 H367I300-C363 HydrophobicContact CD1-CB 4Å; Y308-C363 HydrophobicContact CD2-CB 4.29Å; L359-C363 PolarHBondContact O-N 2.92Å; L359-C363 PolarHBondContact O-SG 3.41Å; D360-C363 WeakPolarHBondContact O-CB 3.37Å; D360-C363 PolarHBondContact O-N 2.95Å; E361-C363 VanDerWaalsContact C-N 3.31Å; E361-C363 PolarHBondContact O-N 3.23Å; C363-H367 VanDerWaalsContact O-CB 3.25Å; C363-H367 WeakPolarHBondContact O-CB 3.45Å; C363-H367 PolarHBondContact O-N 3.48Å
364A92.4Very high92.2Very high1 Ų129.4 Ų29.41%0.00815%0.154CC..Hα-helixtrans-62.3-54.5173.700000111.5D360 E361 F366 H367 L368 L382 L386D360-A364 PolarHBondContact O-N 2.97Å; E361-A364 PolarHBondContact O-N 3.06Å; A364-F366 PolarHBondContact O-N 3.42Å; A364-H367 PolarHBondContact O-N 2.84Å; A364-L368 WeakPolarHBondContact O-CG 3.4Å; A364-L368 PolarHBondContact O-N 2.92Å; A364-L382 HydrophobicContact CB-CD2 4.31Å; A364-L386 HydrophobicContact CB-CB 4.28Å
365A94.2Very high91.9Very high0 Ų028.2 Ų28.20%016%0.162CC..Hα-helixtrans-57.2-46.1179.900000112.4F332 I345 S349 L357 E361 L368 V369F332-A365 HydrophobicContact CE1-CB 4.24Å; F332-A365 HydrophobicContact CE2-CB 3.96Å; F332-A365 HydrophobicContact CZ-CB 3.51Å; I345-A365 HydrophobicContact CG2-CB 4.12Å; S349-A365 VanDerWaalsContact OG-CA 3.3Å; S349-A365 WeakPolarHBondContact OG-CA 3.31Å; S349-A365 WeakPolarHBondContact OG-CB 3.36Å; S349-A365 PolarHBondContact OG-N 3.11Å; L357-A365 HydrophobicContact CD1-CB 4.25Å; E361-A365 WeakPolarHBondContact O-CB 3.49Å; E361-A365 PolarHBondContact O-N 3.42Å; A365-L368 PolarHBondContact O-N 3.48Å; A365-V369 WeakPolarHBondContact O-CG2 3.43Å; A365-V369 PolarHBondContact O-N 3.38Å
366F94.6Very high91.6Very high22 Ų2231.7 Ų31.710%0.09617%0.17CC..Hα-helixtrans-69.2-35.2179.5-168.3-92000112.3Y307 Y308 Q311 F331 F332 F362 A364 V369 V370Y307-F366 HydrophobicContact CD1-CE1 4.35Å; Y307-F366 AromaticContact CE1-CE1 3.9Å; Y307-F366 HydrophobicContact CE1-CE1 3.9Å; Y307-F366 HydrophobicContact CE1-CZ 4.12Å; Y308-F366 AromaticContact CD1-CD1 3.26Å; Y308-F366 HydrophobicContact CD1-CD1 3.26Å; Y308-F366 AromaticContact CD1-CE1 3.5Å; Y308-F366 HydrophobicContact CD1-CE1 3.5Å; Y308-F366 VanDerWaalsContact CD1-CE1 3.5Å; Y308-F366 HydrophobicContact CD1-CG 4.39Å; Y308-F366 HydrophobicContact CD2-CD1 4.46Å; Y308-F366 AromaticContact CE1-CD1 3.4Å; Y308-F366 HydrophobicContact CE1-CD1 3.4Å; Y308-F366 VanDerWaalsContact CE1-CD1 3.4Å; Y308-F366 AromaticContact CE1-CE1 3.55Å; Y308-F366 HydrophobicContact CE1-CE1 3.55Å; Y308-F366 AromaticContact CG-CD1 3.86Å; Y308-F366 HydrophobicContact CG-CD1 3.86Å; Y308-F366 HydrophobicContact CG-CE1 4.48Å; Q311-F366 HydrophobicContact CG-CE1 4.46Å; Q311-F366 HydrophobicContact CG-CE2 4.4Å; Q311-F366 HydrophobicContact CG-CZ 4.02Å; F331-F366 AromaticContact CE1-CD2 3.68Å; F331-F366 HydrophobicContact CE1-CD2 3.68Å; F331-F366 AromaticContact CE1-CE2 3.61Å; F331-F366 HydrophobicContact CE1-CE2 3.61Å; F331-F366 HydrophobicContact CZ-CD2 4.48Å; F331-F366 HydrophobicContact CZ-CE2 4.03Å; F332-F366 HydrophobicContact CE1-CB 4.1Å; F332-F366 HydrophobicContact CE1-CD2 4.04Å; F362-F366 HydrophobicContact CE1-CB 4.26Å; F362-F366 HydrophobicContact CZ-CB 4.44Å; F362-F366 HydrophobicContact CZ-CD2 4.19Å; F362-F366 WeakPolarHBondContact O-CB 3.46Å; F362-F366 PolarHBondContact O-N 2.93Å; A364-F366 PolarHBondContact O-N 3.42Å; F366-V369 PolarHBondContact O-N 2.83Å; F366-V370 HydrophobicContact CD1-CG2 3.95Å; F366-V370 HydrophobicContact CE1-CG2 3.65Å; F366-V370 HydrophobicContact CZ-CG2 4.26Å; F366-V370 WeakPolarHBondContact O-CG2 3.22Å; F366-V370 PolarHBondContact O-N 3.08Å
367H93.1Very high91.2Very high9 Ų937.1 Ų37.14%0.04220%0.198CC..Hα-helixtrans-65.5-42.9173-167.375.9000111.6P297 K299 I300 Y308 C363 A364 V369 V370 A371 L386P297-H367 PolarHBondContact O-NE2 2.82Å; K299-H367 PolarHBondContact O-CE1 2.93Å; I300-H367 HydrophobicContact CD1-CB 4.02Å; I300-H367 HydrophobicContact CG1-CB 3.98Å; Y308-H367 HydrophobicContact CE2-CB 3.79Å; Y308-H367 AromaticContact CE2-ND1 3.73Å; Y308-H367 AromaticContact CZ-ND1 3.77Å; Y308-H367 PolarHBondContact OH-ND1 3.21Å; C363-H367 VanDerWaalsContact O-CB 3.25Å; C363-H367 WeakPolarHBondContact O-CB 3.45Å; C363-H367 PolarHBondContact O-N 3.48Å; A364-H367 PolarHBondContact O-N 2.84Å; H367-V369 PolarHBondContact O-N 2.89Å; H367-V370 PolarHBondContact O-N 3.33Å; H367-A371 WeakPolarHBondContact O-CB 3.36Å; H367-A371 PolarHBondContact O-N 3.17Å; H367-L386 HydrophobicContact CB-CD2 4.39Å
368L92.2Very high90.7Very high0 Ų038.8 Ų38.80%021%0.207CC..Hα-helixtrans-58.8-43.9172.8-68.8-178.6000111.9W298 I345 L348 A364 A365 V370 A371 R372 L378 P379 L382 L386W298-L368 HydrophobicContact CE3-CD2 3.93Å; W298-L368 HydrophobicContact CZ3-CD2 3.61Å; I345-L368 HydrophobicContact CB-CD1 4.43Å; I345-L368 HydrophobicContact CD1-CB 4.31Å; I345-L368 HydrophobicContact CG1-CB 3.97Å; I345-L368 HydrophobicContact CG1-CD1 4.29Å; I345-L368 HydrophobicContact CG2-CB 4.01Å; I345-L368 HydrophobicContact CG2-CD1 4.11Å; L348-L368 HydrophobicContact CB-CD1 3.92Å; L348-L368 HydrophobicContact CD1-CD1 3.76Å; A364-L368 WeakPolarHBondContact O-CG 3.4Å; A364-L368 PolarHBondContact O-N 2.92Å; A365-L368 PolarHBondContact O-N 3.48Å; L368-V370 VanDerWaalsContact C-N 3.34Å; L368-V370 PolarHBondContact O-N 3.36Å; L368-A371 PolarHBondContact O-N 3.12Å; L368-R372 VanDerWaalsContact O-CB 3.25Å; L368-R372 WeakPolarHBondContact O-CB 3.45Å; L368-R372 PolarHBondContact O-N 2.81Å; L368-L378 HydrophobicContact CB-CD2 4.09Å; L368-L378 HydrophobicContact CD2-CD2 4.35Å; L368-P379 HydrophobicContact CD2-CG 4.14Å; L368-L382 HydrophobicContact CD1-CD1 3.7Å; L368-L382 HydrophobicContact CD2-CD1 3.99Å; L368-L382 HydrophobicContact CG-CD1 4.08Å; L368-L386 HydrophobicContact CD2-CD1 3.99Å; L368-L386 HydrophobicContact CG-CD1 4.49Å
369V93.8Very high90Very high7 Ų737.5 Ų37.54%0.04220%0.2CC..Hα-helixtrans-59.9-43174.4168.10000111.6F332 S335 L337 L342 I345 A365 F366 H367 K373F332-V369 HydrophobicContact CD1-CG2 3.84Å; F332-V369 HydrophobicContact CE1-CG2 4.37Å; F332-V369 HydrophobicContact CG-CG2 4.37Å; S335-V369 VanDerWaalsContact CB-CG1 3.45Å; L337-V369 HydrophobicContact CD1-CB 4.27Å; L337-V369 HydrophobicContact CD1-CG1 4.01Å; L337-V369 HydrophobicContact CD1-CG2 4.26Å; L342-V369 HydrophobicContact CD2-CG2 4.17Å; I345-V369 HydrophobicContact CD1-CG2 3.76Å; I345-V369 HydrophobicContact CG2-CG2 4.16Å; A365-V369 WeakPolarHBondContact O-CG2 3.43Å; A365-V369 PolarHBondContact O-N 3.38Å; F366-V369 PolarHBondContact O-N 2.83Å; H367-V369 PolarHBondContact O-N 2.89Å; V369-K373 VanDerWaalsContact O-CB 3.23Å; V369-K373 WeakPolarHBondContact O-CB 3.43Å; V369-K373 PolarHBondContact O-N 3.02Å
370V91.6Very high89Confident36 Ų3643.9 Ų43.922%0.21823%0.229CC..Hα-helixtrans-67.5-47.4178.5169.60000111.3F366 H367 L368 R372 K373 N374F366-V370 HydrophobicContact CD1-CG2 3.95Å; F366-V370 HydrophobicContact CE1-CG2 3.65Å; F366-V370 HydrophobicContact CZ-CG2 4.26Å; F366-V370 WeakPolarHBondContact O-CG2 3.22Å; F366-V370 PolarHBondContact O-N 3.08Å; H367-V370 PolarHBondContact O-N 3.33Å; L368-V370 VanDerWaalsContact C-N 3.34Å; L368-V370 PolarHBondContact O-N 3.36Å; V370-R372 PolarHBondContact O-N 3.15Å; V370-K373 PolarHBondContact O-N 3.13Å; V370-N374 WeakPolarHBondContact O-CB 3.29Å; V370-N374 PolarHBondContact O-N 2.88Å; V370-N374 PolarHBondContact O-ND2 2.96Å; V370-N374 PolarHBondContact O-OD1 3.49Å
371A89.1Confident88Confident5 Ų549.6 Ų49.64%0.04125%0.252CS..Hα-helixtrans-59-47.4177.100000111.1W298 H367 L368 K373 N374 G375 Y376W298-A371 HydrophobicContact CE3-CB 4.26Å; W298-A371 HydrophobicContact CH2-CB 4.11Å; W298-A371 HydrophobicContact CZ3-CB 3.62Å; H367-A371 WeakPolarHBondContact O-CB 3.36Å; H367-A371 PolarHBondContact O-N 3.17Å; L368-A371 PolarHBondContact O-N 3.12Å; A371-K373 PolarHBondContact O-N 2.87Å; A371-N374 WeakPolarHBondContact O-CB 3.32Å; A371-N374 PolarHBondContact O-N 3.17Å; A371-N374 VanDerWaalsContact O-N 3.11Å; A371-G375 PolarHBondContact O-N 3.03Å; A371-Y376 HydrophobicContact CB-CD2 4.25Å; A371-Y376 WeakPolarHBondContact O-CB 3.47Å; A371-Y376 WeakPolarHBondContact O-CD2 3.47Å; A371-Y376 PolarHBondContact O-N 3.35Å; A371-Y376 VanDerWaalsContact O-N 3.14Å
372R90.2Very high86.9Confident57 Ų5750.3 Ų50.322%0.21526%0.256CS..Hα-helixtrans-63.6-43.7179.1-179.350.7-175.1169.7-6.1112.7L337 E341 L368 V370 N374 G375 Y376 D377 L378L337-R372 HydrophobicContact CD1-CB 3.96Å; L337-R372 HydrophobicContact CD1-CG 3.88Å; L337-R372 HydrophobicContact CD2-CG 3.89Å; E341-R372 IonicContact OE1-CZ 3.37Å; E341-R372 IonicContact OE1-NE 3.84Å; E341-R372 PolarHBondContact OE1-NE 3.44Å; E341-R372 IonicContact OE1-NH2 3.74Å; E341-R372 PolarHBondContact OE1-NH2 3.37Å; E341-R372 WeakPolarHBondContact OE2-CG 3.26Å; E341-R372 IonicContact OE2-CZ 2.73Å; E341-R372 IonicContact OE2-NE 3.38Å; E341-R372 PolarHBondContact OE2-NE 3.42Å; E341-R372 IonicContact OE2-NH2 2.85Å; L368-R372 VanDerWaalsContact O-CB 3.25Å; L368-R372 WeakPolarHBondContact O-CB 3.45Å; L368-R372 PolarHBondContact O-N 2.81Å; V370-R372 PolarHBondContact O-N 3.15Å; R372-N374 PolarHBondContact O-N 2.9Å; R372-G375 PolarHBondContact O-N 2.98Å; R372-Y376 WeakPolarHBondContact CA-O 3.43Å; R372-Y376 WeakPolarHBondContact CD-O 3.38Å; R372-Y376 PolarHBondContact NH1-O 3.16Å; R372-D377 IonicContact CZ-OD1 3.49Å; R372-D377 IonicContact NH1-OD1 2.93Å; R372-D377 PolarHBondContact NH1-OD1 3.46Å; R372-L378 HydrophobicContact CB-CD2 3.95Å; R372-L378 HydrophobicContact CB-CG 4.15Å; R372-L378 HydrophobicContact CG-CD1 4.27Å; R372-L378 HydrophobicContact CG-CD2 4.43Å; R372-L378 HydrophobicContact CG-CG 4.1Å
373K89.8Confident85.8Confident130 Ų13051.7 Ų51.757%0.56527%0.265SS*.Hα-helixtrans-64.8-24.4175.4-166.1-169.371.1-177.30112.9L337 V369 V370 A371 G375L337-K373 HydrophobicContact CD2-CB 4.29Å; V369-K373 VanDerWaalsContact O-CB 3.23Å; V369-K373 WeakPolarHBondContact O-CB 3.43Å; V369-K373 PolarHBondContact O-N 3.02Å; V370-K373 PolarHBondContact O-N 3.13Å; A371-K373 PolarHBondContact O-N 2.87Å; K373-G375 VanDerWaalsContact C-N 3.26Å
374N87.9Confident84.2Confident108 Ų10858.7 Ų58.758%0.57830%0.297SS*.THydrogen-bonded Turntrans-82.60.9173.3-66.2-12.4000113.4V370 A371 R372 Y376V370-N374 WeakPolarHBondContact O-CB 3.29Å; V370-N374 PolarHBondContact O-N 2.88Å; V370-N374 PolarHBondContact O-ND2 2.96Å; V370-N374 PolarHBondContact O-OD1 3.49Å; A371-N374 WeakPolarHBondContact O-CB 3.32Å; A371-N374 PolarHBondContact O-N 3.17Å; A371-N374 VanDerWaalsContact O-N 3.11Å; R372-N374 PolarHBondContact O-N 2.9Å; N374-Y376 HydrophobicContact CB-CD2 4.32Å; N374-Y376 HydrophobicContact CB-CE2 4.48Å
375G84.1Confident82.8Confident58 Ų5861 Ų6160%0.59831%0.313SS*.THydrogen-bonded Turntrans95.16.6176.300000115.4A371 R372 K373A371-G375 PolarHBondContact O-N 3.03Å; R372-G375 PolarHBondContact O-N 2.98Å; K373-G375 VanDerWaalsContact C-N 3.26Å
376Y85.7Confident81.5Confident88 Ų8861.4 Ų61.435%0.34532%0.315SS..PPolyproline II helixtrans-75.8144169.4-63.3-66000110.4D295 P297 A371 R372 N374D295-Y376 PolarHBondContact OD1-OH 3.21Å; P297-Y376 HydrophobicContact CB-CD1 4.12Å; P297-Y376 HydrophobicContact CB-CD2 3.87Å; P297-Y376 HydrophobicContact CB-CE1 4.03Å; P297-Y376 HydrophobicContact CB-CE2 3.75Å; P297-Y376 HydrophobicContact CB-CG 4.05Å; P297-Y376 HydrophobicContact CG-CD1 4.02Å; P297-Y376 HydrophobicContact CG-CD2 4.43Å; P297-Y376 HydrophobicContact CG-CE1 3.55Å; P297-Y376 HydrophobicContact CG-CE2 3.99Å; P297-Y376 HydrophobicContact CG-CG 4.44Å; A371-Y376 HydrophobicContact CB-CD2 4.25Å; A371-Y376 WeakPolarHBondContact O-CB 3.47Å; A371-Y376 WeakPolarHBondContact O-CD2 3.47Å; A371-Y376 PolarHBondContact O-N 3.35Å; A371-Y376 VanDerWaalsContact O-N 3.14Å; R372-Y376 WeakPolarHBondContact CA-O 3.43Å; R372-Y376 WeakPolarHBondContact CD-O 3.38Å; R372-Y376 PolarHBondContact NH1-O 3.16Å; N374-Y376 HydrophobicContact CB-CD2 4.32Å; N374-Y376 HydrophobicContact CB-CE2 4.48Å
377D84.1Confident80.2Confident124 Ų12465 Ų6566%0.66333%0.333SS*.PPolyproline II helixtrans-80.5142.9174.1-69-44.1000110.8W298 R372W298-D377 VanDerWaalsContact CH2-O 3.24Å; W298-D377 WeakPolarHBondContact CH2-O 3.42Å; W298-D377 WeakPolarHBondContact CZ2-O 3.48Å; R372-D377 IonicContact CZ-OD1 3.49Å; R372-D377 IonicContact NH1-OD1 2.93Å; R372-D377 PolarHBondContact NH1-OD1 3.46Å
378L84.8Confident78.6Confident35 Ų3566.8 Ų66.818%0.18335%0.346CS..PPolyproline II helixtrans-68.6139.3-178.6-72168.5000110.9E341 I345 L368 R372E341-L378 HydrophobicContact CB-CD1 3.89Å; E341-L378 HydrophobicContact CG-CD1 4.2Å; I345-L378 HydrophobicContact CD1-CD1 3.99Å; I345-L378 HydrophobicContact CD1-CD2 3.91Å; I345-L378 HydrophobicContact CG1-CD1 3.73Å; I345-L378 HydrophobicContact CG1-CD2 3.61Å; I345-L378 HydrophobicContact CG1-CG 4.34Å; L368-L378 HydrophobicContact CB-CD2 4.09Å; L368-L378 HydrophobicContact CD2-CD2 4.35Å; R372-L378 HydrophobicContact CB-CD2 3.95Å; R372-L378 HydrophobicContact CB-CG 4.15Å; R372-L378 HydrophobicContact CG-CD1 4.27Å; R372-L378 HydrophobicContact CG-CD2 4.43Å; R372-L378 HydrophobicContact CG-CG 4.1Å
379P78.9Confident76.5Confident24 Ų2473.6 Ų73.616%0.15638%0.375CS..PPolyproline II helixtrans-74.5148.7-179.933.2-35.5000110.6W298 H344 L348 L368 K381 P383W298-P379 HydrophobicContact CZ3-CG 4.48Å; H344-P379 PolarHBondContact NE2-O 3.43Å; L348-P379 HydrophobicContact CD1-CG 4.3Å; L348-P379 WeakPolarHBondContact CD1-O 3.41Å; L368-P379 HydrophobicContact CD2-CG 4.14Å; P379-K381 WeakPolarHBondContact CB-O 3.43Å; P379-K381 PolarHBondContact O-N 3.14Å; P379-P383 HydrophobicContact CG-CG 4.36Å
380E71.9Confident73.9Confident165 Ų16581.3 Ų81.377%0.77142%0.415SS*.SBendtrans-68.4-26.2176.8-165.1-166.6151.700112.2
381K69Low71.4Confident160 Ų16085.7 Ų85.770%0.69644%0.436SS*.SBendtrans-141.4142178.5-61.9176.1-174170.80108.1P379 P383P379-K381 WeakPolarHBondContact CB-O 3.43Å; P379-K381 PolarHBondContact O-N 3.14Å; K381-P383 WeakPolarHBondContact O-CD 3.32Å
382L70.3Confident68.8Low26 Ų2693.1 Ų93.114%0.13648%0.476CS..  trans-65.2132-174.5-164.379.7000111.2L348 F351 A364 L368 L386 M387L348-L382 HydrophobicContact CB-CD1 4.27Å; L348-L382 HydrophobicContact CD2-CB 4.37Å; F351-L382 HydrophobicContact CE1-CD2 3.52Å; F351-L382 HydrophobicContact CE2-CD2 4.38Å; F351-L382 HydrophobicContact CZ-CD2 3.2Å; A364-L382 HydrophobicContact CB-CD2 4.31Å; L368-L382 HydrophobicContact CD1-CD1 3.7Å; L368-L382 HydrophobicContact CD2-CD1 3.99Å; L368-L382 HydrophobicContact CG-CD1 4.08Å; L382-L386 HydrophobicContact CD1-CB 4.05Å; L382-L386 HydrophobicContact CD1-CD1 3.96Å; L382-L386 HydrophobicContact CD2-CB 3.66Å; L382-L386 HydrophobicContact CG-CB 3.82Å; L382-L386 HydrophobicContact CG-CD1 4.49Å; L382-M387 HydrophobicContact CD2-CG 4.42Å
383P70.8Confident66.4Low29 Ų2998 Ų9819%0.18851%0.505CS..  trans-56.3143.6173.8-29.537.4000113.6W298 P379 K381 S385 L386W298-P383 HydrophobicContact CB-CB 4.1Å; W298-P383 HydrophobicContact CB-CG 3.88Å; W298-P383 HydrophobicContact CD2-CG 4.23Å; W298-P383 HydrophobicContact CG-CG 3.83Å; P379-P383 HydrophobicContact CG-CG 4.36Å; K381-P383 WeakPolarHBondContact O-CD 3.32Å; P383-S385 WeakPolarHBondContact CB-OG 3.29Å; P383-S385 PolarHBondContact O-N 2.88Å; P383-L386 PolarHBondContact O-N 3.07Å
384E61Low63.8Low148 Ų14899.4 Ų99.469%0.69252%0.518SS*.THydrogen-bonded Turntrans-55.8-17.4175.4-65.5-174.1173.900113K94K94-E384 IonicContact NZ-OE1 2.74Å; K94-E384 IonicContact NZ-OE2 3.81Å
385S62.3Low61.2Low49 Ų49101 Ų10134%0.34353%0.527SS..THydrogen-bonded Turntrans-76.7-20175.452.50000115W298 P383W298-S385 VanDerWaalsContact O-CB 3.32Å; W298-S385 WeakPolarHBondContact O-CB 3.27Å; W298-S385 PolarHBondContact O-OG 3.35Å; P383-S385 WeakPolarHBondContact CB-OG 3.29Å; P383-S385 PolarHBondContact O-N 2.88Å
386L67.4Low58.8Low9 Ų9104.3 Ų104.35%0.04754%0.541CS..THydrogen-bonded Turntrans-109.8-4.7-176.8-60.8178000113.3W298 I300 A364 H367 L368 L382 P383W298-L386 HydrophobicContact CB-CD1 4.3Å; W298-L386 HydrophobicContact CE3-CD1 4.26Å; W298-L386 VanDerWaalsContact O-CD2 3.29Å; W298-L386 WeakPolarHBondContact O-CD2 3.29Å; W298-L386 WeakPolarHBondContact O-CG 3.39Å; I300-L386 HydrophobicContact CD1-CD2 3.8Å; I300-L386 HydrophobicContact CG1-CD2 3.61Å; A364-L386 HydrophobicContact CB-CB 4.28Å; H367-L386 HydrophobicContact CB-CD2 4.39Å; L368-L386 HydrophobicContact CD2-CD1 3.99Å; L368-L386 HydrophobicContact CG-CD1 4.49Å; L382-L386 HydrophobicContact CD1-CB 4.05Å; L382-L386 HydrophobicContact CD1-CD1 3.96Å; L382-L386 HydrophobicContact CD2-CB 3.66Å; L382-L386 HydrophobicContact CG-CB 3.82Å; L382-L386 HydrophobicContact CG-CD1 4.49Å; P383-L386 PolarHBondContact O-N 3.07Å
387M66.8Low56.4Low98 Ų98104.4 Ų104.448%0.48356%0.56SS.*SBendtrans-68.2132.1173.7-65.8-175.468.200111F351 L382 K389F351-M387 HydrophobicContact CE1-CG 4.08Å; L382-M387 HydrophobicContact CD2-CG 4.42Å; M387-K389 PolarHBondContact O-N 3.26Å; M387-K389 VanDerWaalsContact O-N 3.16Å
388P58.8Low53.8Low46 Ų46107.3 Ų107.330%0.29957%0.57SS.*  trans-52.6119.8168.7-27.734.4000110.7F351 D360 E361 L390F351-P388 HydrophobicContact CD2-CG 3.96Å; F351-P388 HydrophobicContact CE2-CG 3.54Å; F351-P388 HydrophobicContact CZ-CG 4.12Å; D360-P388 HydrophobicContact CB-CB 3.98Å; D360-P388 HydrophobicContact CB-CG 4.03Å; E361-P388 HydrophobicContact CG-CG 3.9Å; P388-L390 PolarHBondContact O-N 3.32Å
389K48.7Very low51.6Low143 Ų143112 Ų11262%0.62260%0.599SS**  trans-79.999.9172.8-69.4-179.8-178.9175.70107.3M387 I391M387-K389 PolarHBondContact O-N 3.26Å; M387-K389 VanDerWaalsContact O-N 3.16Å; K389-I391 WeakPolarHBondContact O-CG1 3.39Å; K389-I391 PolarHBondContact O-N 2.79Å
390L39.3Very low49.8Very low169 Ų169116.1 Ų116.189%0.88563%0.626SS**  trans-50.2117.5170.2-164.372.8000108P388 D392P388-L390 PolarHBondContact O-N 3.32Å; L390-D392 PolarHBondContact O-N 3.05Å
391I39.5Very low48Very low129 Ų129115.9 Ų115.966%0.66263%0.625SS**  trans-82.1120.2-171.8-57.2175.9000107.8K389 L393K389-I391 WeakPolarHBondContact O-CG1 3.39Å; K389-I391 PolarHBondContact O-N 2.79Å; I391-L393 PolarHBondContact O-N 2.93Å
392D33.4Very low47Very low161 Ų161113.9 Ų113.986%0.86163%0.629SS**  trans-58.8101.1173.8-70.8-49.2000110.4L390L390-D392 PolarHBondContact O-N 3.05Å
393L40.6Very low45.2Very low160 Ų160116.3 Ų116.384%0.83865%0.653SS**  trans-100.239.8176.7-89.3167.8000111.3I391I391-L393 PolarHBondContact O-N 2.93Å
394D35.8Very low43.4Very low158 Ų158119.5 Ų119.585%0.84568%0.681SS**  trans-148.990.8173.9-105-35.9000112.6
395D31.7Very low42Very low141 Ų141120.7 Ų120.775%0.75469%0.687SS**  trans-159.1105.8135.5-177.617.9000110.5
396S35.2Very low40.8Very low128 Ų128124.8 Ų124.890%0.89571%0.709SS**  trans-160.849.5164-80.80000111.1
397A35.2Very low38.9Very low90 Ų90128 Ų12874%0.74475%0.745SS**  trans-148.243.4-177.300000115.2V399A397-V399 PolarHBondContact O-N 3.28Å
398E29.4Very low37.4Very low185 Ų185134.4 Ų134.486%0.86477%0.765SS**  trans-73.4108.9173.7-169.8-177.4-159.400112.2
399V36.8Very low36.3Very low133 Ų133137.7 Ų137.781%0.80679%0.79SS**  trans-136.9135.8158.3-179.70000108.3A397A397-V399 PolarHBondContact O-N 3.28Å
400P43Very low35.4Very low112 Ų112135.7 Ų135.773%0.72780%0.8SS**  trans-87.4151.1-157.7-13.632.1000117.5
401E33.4Very low34.9Very low159 Ų159133 Ų13374%0.74380%0.795SS**  trans-47.7155.3157.1-103.4-91.8133.800113.5A403E401-A403 PolarHBondContact OE2-N 3.04Å
402P46.9Very low35.4Very low119 Ų119132.2 Ų132.277%0.77380%0.798SS**  -150.6132.682.636.8-16.5000119.5
403A33.9Very low35.2Very low77 Ų77131.5 Ų131.564%0.63680%0.799SS**  trans63.3128.7131.300000122.7E401E401-A403 PolarHBondContact OE2-N 3.04Å
404A32.5Very low34.7Very low95 Ų95132.2 Ų132.279%0.78580%0.799SS**  -176131.3106.300000115.9
405E31.7Very low34.7Very low174 Ų174131.2 Ų131.281%0.81380%0.798SS**  trans49.8124.4143.6-64.9-137.3119.900125.8
406V35.9Very low34.7Very low135 Ų135130.5 Ų130.582%0.81880%0.798SS**  trans59.1138.4138-50.40000123.7
407G29.1Very low35Very low77 Ų77129.7 Ų129.779%0.79479%0.79SS**  trans162.1114.615800000117.5
408Y34.6Very low34.7Very low231 Ų231133.1 Ų133.191%0.90680%0.796SS**  trans-57.1135.9-178.2-79.1-106.5000118.4
409S36.8Very low34.9Very low116 Ų116134 Ų13481%0.81180%0.797SS**  53150.7124.4-149.60000124
410A28.4Very low34.8Very low101 Ų101133 Ų13384%0.83580%0.796SS**  trans91.7151.8163.300000119.7
411S29.8Very low34.6Very low112 Ų112133.6 Ų133.678%0.78380%0.8SS**  trans-171163.6-169.5179.90000107.9
412P49.1Very low34.4Very low112 Ų112131.9 Ų131.973%0.72781%0.806SS**  cis-120.9168.9-15.436.8-23.2000113.5
413V30.3Very low33.8Very low147 Ų147134.8 Ų134.889%0.89181%0.811SS**  trans-142.6142.8154.3177.40000109.7
414E29.8Very low34.1Very low175 Ų175137.3 Ų137.382%0.81882%0.821SS**  trans-108.7129.7-174.6177.1-165.4137.300112
415V34.8Very low34.1Very low136 Ų136138.3 Ų138.382%0.82482%0.822SS**  trans-156.2143.6153.8-120.10000112.4
416T33.2Very low34.2Very low126 Ų126137.3 Ų137.377%0.77382%0.821SS**  trans-125.616416870.20000107.4
417P40.2Very low33.8Very low112 Ų112137 Ų13773%0.72782%0.815SS**  cis-146.5166.249.540.1-19000118.8
418N29.8Very low33.9Very low162 Ų162142.1 Ų142.187%0.86682%0.818SS**  trans21.4126.3151.4-66-16.3000121.1
419K32.9Very low33.5Very low203 Ų203135.1 Ų135.188%0.88381%0.809SS**  -176.9141.492.2-165.3161.6-174.3172.20113.1
420S35.9Very low33.2Very low113 Ų113141.6 Ų141.679%0.7982%0.815SS**  trans-83.6154.3-178-28.30000114.6
421P38.5Very low33.6Very low124 Ų124142.1 Ų142.181%0.80581%0.81SS**  trans-114.5147.3153.136.3-26.8000112.7
422S29Very low33.4Very low123 Ų123144.5 Ų144.586%0.8681%0.809SS**PPolyproline II helixtrans-91.2165-179.2-56.40000113.6
423M34.3Very low32.3Very low179 Ų179146.5 Ų146.588%0.88281%0.811SS**PPolyproline II helixtrans-64.6148.4177-60-159-59.900113.7
424P40.2Very low32.3Very low131 Ų131145.1 Ų145.185%0.85180%0.798SS**PPolyproline II helixtrans-82.5151.316634.9-33.7000111.9
425S31.6Very low32.3Very low115 Ų115143.9 Ų143.980%0.80479%0.792SS**  trans-142.2126.4168.1174.70000109.7
426L34.5Very low32.1Very low153 Ų153142.2 Ų142.280%0.80179%0.787SS**  trans-159.7145148.1-157.364.6000112.7
427N28Very low31.7Very low128 Ų128143.9 Ų143.968%0.68479%0.791SS**  trans-61.3153.2177.5-40.4-78.3000114.5
428Q30.6Very low31.2Very low185 Ų185147.3 Ų147.386%0.86480%0.798SS**  -165.2120.3116-108.2159.8106.800116
429A26.3Very low31Very low85 Ų85146.3 Ų146.370%0.70279%0.788SS**  trans25123.4147.900000122.6
430W29.5Very low30.8Very low251 Ų251147.7 Ų147.795%0.95179%0.788SS**  -125.8144.9128.3-84.396.5000109.1
431P37.4Very low30.6Very low112 Ų112150.7 Ų150.773%0.72779%0.789SS**  trans-90.5150.9-171.5-8.628.4000116.1
432E25.9Very low30.1Very low162 Ų162150.5 Ų150.576%0.75779%0.785SS**  trans-7.1149.9146.6-85.1178.4107.900120
433M26.8Very low29.9Very low155 Ų155154.4 Ų154.476%0.76479%0.787SS**  cis-135.515220.8-96.3142.5-77.400110.4
434N28.7Very low29.5Very low118 Ų118151.3 Ų151.363%0.63178%0.784SS**  70.4142.752.8-142.720.2000112.9
435Q31.6Very low29Very low148 Ų148153 Ų15369%0.69278%0.78SS**  cis-150.9174.1-2.5-148.5158.817.400106.1
436S29.3Very low28.8Very low102 Ų102157.1 Ų157.171%0.71378%0.778SS**  cis-157.3154.612.7-34.20000111
437N25.9Very low28.4Very low161 Ų161154.9 Ų154.986%0.86178%0.775SS**  trans-157.677.5141.8-174.187.6000110.5
438E28.2Very low28.5Very low184 Ų184154 Ų15486%0.8678%0.779SS**  trans-133.5107.6169.2-69.9-176127.200108.7
439Q26.6Very low28.3Very low141 Ų141149.8 Ų149.866%0.65977%0.77SS**  trans-163.892.3161.4-176.6177.8-3100108.8
440W28Very low28.6Very low232 Ų232151.4 Ų151.488%0.87978%0.776SS**  trans-175.672.7140.8-83.6127.6000108.5
441E32.7Very low28.7Very low176 Ų176148.3 Ų148.382%0.82277%0.772SS**  trans-144.9160.9156-97.6-49.4153.100109.6
442T27.5Very low28.4Very low119 Ų119149.3 Ų149.373%0.7378%0.776SS**  trans69.989.9-172-44.70000115.2
443F23.9Very low28.5Very low205 Ų205149 Ų14990%0.89978%0.779SS**  -161.288.6125.8-113.2-67.9000110.9
444S27.5Very low28.9Very low115 Ų115147.9 Ų147.980%0.80478%0.781SS**  trans-157.8145.2161.5-900000110.8
445E27.8Very low29Very low165 Ų165150.3 Ų150.377%0.77179%0.789SS**  trans62.3143.8-173.1-55.8-144.9-174.500115.8
446R27.5Very low29.2Very low203 Ų203152.3 Ų152.377%0.76680%0.795SS**  cis-144.6141.57.9-137.5156.3-174.4-104.7-0.9110.1
447S27.3Very low29.1Very low106 Ų106155.2 Ų155.274%0.74180%0.803SS**  -169.6134.387.5-69.20000109.6
448S29.4Very low29.4Very low108 Ų108151.2 Ų151.276%0.75579%0.788SS**  64129.794.3-150.30000113.1
449S26.9Very low29.5Very low98 Ų98150.8 Ų150.869%0.68579%0.791SS**  -163.6159.55252.90000114.9
450S32.1Very low29.9Very low118 Ų118151.2 Ų151.283%0.82580%0.796SS**  trans-84.1154.7159.1-53.30000111.2
451Q31.2Very low30.1Very low187 Ų187144.5 Ų144.587%0.87479%0.79SS**  trans-118.2131.7163.1-73-166.81.600110.8
452T31.3Very low30.8Very low132 Ų132141.9 Ų141.981%0.8179%0.788SS**  trans-116.7141.2162.4-61.50000107.3
453L28.7Very low31.1Very low157 Ų157140.6 Ų140.682%0.82279%0.79SS**  trans-69.9139.3-176.5-178.5152.2000111.1
454T35.7Very low31.5Very low130 Ų130138.3 Ų138.380%0.79879%0.787SS**  trans-134.9151.8167.7-32.50000110.1
455Q30.1Very low32.3Very low170 Ų170137.6 Ų137.679%0.79478%0.78SS**  trans-91.4152-161.4-167.5167.3-12.700113.1
456F34.8Very low32.4Very low190 Ų190136.9 Ų136.983%0.83378%0.781SS**  trans-81.4151.1-179.4-16.4-89000111.9
457D28.1Very low33.1Very low163 Ų163134.5 Ų134.587%0.87279%0.789SS**  trans-138.9161.3158.1-149.1-20.5000110.4
458S31.5Very low33.7Very low77 Ų77133.4 Ų133.454%0.53879%0.787SS.*  trans-120.4154.5-150.4-56.20000114.6
459N30.3Very low34.1Very low175 Ų175135.7 Ų135.794%0.93679%0.789SS**  trans-149.7138.4148.5-99.1-72.9000109
460I34.7Very low34.5Very low150 Ų150137.4 Ų137.477%0.76980%0.795SS**  trans-138140.1-157.9-66.5170.1000111.3
461A33.4Very low34.9Very low90 Ų90139.7 Ų139.774%0.74479%0.792SS**  trans173.9155.3144.300000111.9
462P47.9Very low35.5Very low121 Ų121136.8 Ų136.879%0.78679%0.79SS**  cis-138.8-171.9-37.440-23.2000114.1
463A32.5Very low35.7Very low93 Ų93136.3 Ų136.377%0.76979%0.786SS**  trans84102.1170.400000117.3
464D33.2Very low36.2Very low156 Ų156134.6 Ų134.683%0.83478%0.784SS**  70.4140.557.8-154.952.1000113.8
465P43.8Very low36.4Very low100 Ų100135.4 Ų135.465%0.64978%0.782SS**  cis-129.3174.9-0.223.21.6000116.9
466D30.7Very low37Very low151 Ų151138.4 Ų138.481%0.80779%0.787SS**  trans34.1111.6154-82.7-35.4000121.9
467T42.3Very low37Very low152 Ų152136.8 Ų136.893%0.93378%0.783SS**  -151.3145.8122.2-25.30000111
468A38.4Very low37.8Very low84 Ų84134.3 Ų134.369%0.69477%0.774SS**  trans-85.7142.7-166.400000115.9
469I38Very low38.2Very low156 Ų156136.9 Ų136.980%0.879%0.789SS**  trans24.4102136.5-45.6171.2000117.2
470V36.6Very low38.3Very low133 Ų133133.6 Ų133.681%0.80678%0.78SS**  trans-148.3129.8138.6179.60000109
471H39.2Very low38.3Very low167 Ų167135.6 Ų135.677%0.77378%0.783SS**  trans-79.3126.2166.1-63.3-79.2000110.1V473H471-V473 PolarHBondContact O-N 3.26Å; H471-V473 VanDerWaalsContact O-N 3.16Å
472P43.4Very low38.5Very low126 Ų126138.5 Ų138.582%0.81878%0.784SS**  trans-69.6112.8175.227-32.5000110.9
473V36.4Very low37.8Very low121 Ų121140.5 Ų140.573%0.73378%0.783SS**  trans-58.6141175.9174.70000110.8H471 I475H471-V473 PolarHBondContact O-N 3.26Å; H471-V473 VanDerWaalsContact O-N 3.16Å; V473-I475 PolarHBondContact O-N 3.13Å
474P40Very low37.8Very low121 Ų121144.8 Ų144.879%0.78679%0.789SS**  trans-58.8111.8175-24.634.7000112.3R476P474-R476 PolarHBondContact O-N 2.82Å; P474-R476 VanDerWaalsContact O-N 3.13Å
475I39.4Very low37.9Very low147 Ų147145 Ų14575%0.75479%0.785SS**  trans-75.2105.6177.5-57-178.3000109.1V473 M477V473-I475 PolarHBondContact O-N 3.13Å; I475-M477 HydrophobicContact CG2-CE 4.28Å; I475-M477 HydrophobicContact CG2-CG 4.21Å; I475-M477 PolarHBondContact O-N 3.22Å
476R41.4Very low37.6Very low234 Ų234148.3 Ų148.388%0.88379%0.792SS**  trans-70.6105.2174.4-169.7-175.5-168-164.45.8110.2P474P474-R476 PolarHBondContact O-N 2.82Å; P474-R476 VanDerWaalsContact O-N 3.13Å
477M35.7Very low37.9Very low156 Ų156149.8 Ų149.877%0.76880%0.796SS**  trans-106.5150.2172.2-81.2-70.1106.600112.5I475I475-M477 HydrophobicContact CG2-CE 4.28Å; I475-M477 HydrophobicContact CG2-CG 4.21Å; I475-M477 PolarHBondContact O-N 3.22Å
478T44.7Very low37.7Very low111 Ų111149.7 Ų149.768%0.68179%0.785SS**  trans-90.7157-168.4450000113.3S480T478-S480 PolarHBondContact O-N 3.19Å; T478-S480 VanDerWaalsContact O-N 3.12Å
479P41.2Very low37.6Very low131 Ų131152.6 Ų152.685%0.85179%0.788SS**  trans-74.9101.5-178.729.8-35000112.3K481P479-K481 PolarHBondContact O-N 3.31Å
480S31.4Very low37.4Very low106 Ų106152.9 Ų152.974%0.74178%0.784SS**  trans-93.189.1175.9-730000112.4T478 I482T478-S480 PolarHBondContact O-N 3.19Å; T478-S480 VanDerWaalsContact O-N 3.12Å; S480-I482 PolarHBondContact O-N 2.66Å
481K35.5Very low37.4Very low191 Ų191157 Ų15783%0.8379%0.785SS**  trans-6106.6158.5-168.4171.2-172.4171.60116.2P479P479-K481 PolarHBondContact O-N 3.31Å
482I37.1Very low37.1Very low151 Ų151155.9 Ų155.977%0.77479%0.79SS**  trans-75.9126.2170.3-55.9170.4000109.3S480S480-I482 PolarHBondContact O-N 2.66Å
483H33.5Very low36.5Very low164 Ų164153.6 Ų153.676%0.75979%0.789SS**  trans-142.193.3165.4-13261.3000108.2
484M32.9Very low36.2Very low182 Ų182152.9 Ų152.990%0.89779%0.789SS**  trans-104109.5171.9-88.4-178.858.900108.5
485Q34.9Very low35.8Very low161 Ų161153.1 Ų153.175%0.75278%0.784SS**  trans-141128.9166-171.9146.5-9.400110.4
486E37.3Very low35.7Very low169 Ų169153.4 Ų153.479%0.7978%0.782SS**  trans70.2135.6162.7-151.2158.9167.100118.5
487M37.4Very low35.3Very low182 Ų182148.4 Ų148.490%0.89777%0.773SS**  trans-137129.4155.7-164.6-177.9-65.300107
488E37.1Very low35.2Very low150 Ų150149.3 Ų149.370%0.70178%0.775SS**  trans-71.3162.6-158.8-56.6161.764.900115.3
489L37.6Very low36Very low145 Ų145148.9 Ų148.976%0.75977%0.774SS**  trans-121.793.7144.7-82.689.5000112.1
490K33Very low35.4Very low163 Ų163148.2 Ų148.271%0.70977%0.768SS**  trans100101.9145.3-49.6139.1-171.3154.20119.3
491R35.4Very low35.2Very low220 Ų220148.2 Ų148.283%0.8377%0.767SS**  95.1130.2122.1-73.7-175.1176.4-164.6-1120.9
492T32.9Very low36.2Very low143 Ų143144 Ų14488%0.87776%0.759SS**  trans72.2117.8153.856.90000120.8
493G31.5Very low35.8Very low77 Ų77144.1 Ų144.179%0.79476%0.761SS**  trans14981.2146.600000119.2
494S29.4Very low35.8Very low106 Ų106143.8 Ų143.874%0.74176%0.764SS**  trans33.1115.4150.8-79.30000124.6
495D33Very low35.6Very low126 Ų126140 Ų14067%0.67476%0.761SS**  80.8119.5111.8-65.5-60.7000125.6
496H37.5Very low35.2Very low154 Ų154141.6 Ų141.671%0.71377%0.766SS**  80.7111.3128-81.271000124.3
497N33.4Very low36.4Very low128 Ų128138.4 Ų138.468%0.68476%0.76SS**  71.1104.2130-72.5-4000124.9
498H32.5Very low36.9Very low176 Ų176135 Ų13582%0.81575%0.752SS**  68.5166.3108.4-96.8-54000121.1
499P61.8Low36.3Very low101 Ų101136.2 Ų136.266%0.65676%0.757SS**  -129.7-167.7-123.245-28000115.1
500T28.6Very low36Very low118 Ų118136.5 Ų136.572%0.72476%0.759SS**  151.3124.2130-59.90000114
501S27.5Very low36Very low105 Ų105132.9 Ų132.973%0.73475%0.754SS**  trans-6.9-177.3136.5-43.90000121.2
502P55Low35.9Very low103 Ų103131 Ų13167%0.66975%0.754SS**  cis-138.6-159.5-3327.6-2.4000113.6
503L29.1Very low35.9Very low154 Ų154131.6 Ų131.681%0.80675%0.747SS**  trans74167.7155.3-63.1168.6000118.1
504L33.3Very low35.8Very low157 Ų157133.5 Ų133.582%0.82274%0.744SS**  cis177.3109.7-40.7172.878.3000107.7
505A29.6Very low35.8Very low102 Ų102138 Ų13884%0.84375%0.75SS**  trans-166.9166.5164.200000112.5
506K26.2Very low35.8Very low194 Ų194139.7 Ų139.784%0.84376%0.758SS**  trans-138.5177.4170.7-143.5-160.4168.6-178.40109.3
507P62.1Low36.8Very low102 Ų102138 Ų13866%0.66276%0.76SS**  -99.3-159.4-115.945.4-27.7000111.6
508P48.8Very low38.1Very low112 Ų112137 Ų13773%0.72776%0.761SS**  -155.2-172.164.740.8-16.8000117.6
509E24.3Very low38.2Very low175 Ų175133.1 Ų133.182%0.81875%0.754SS**  trans84.2168.7151.3-62.2-114.890.200122.9
510L30.6Very low36.8Very low151 Ų151135.5 Ų135.579%0.79176%0.758SS**  trans-104.7-171-152.6-57.6157.9000112.3
511S33.5Very low37.1Very low86 Ų86137.4 Ų137.460%0.60176%0.756SS**  cis-161166.916.1-480000112.7
512E32.9Very low37.2Very low181 Ų181141.1 Ų141.185%0.84676%0.759SS**  trans57.4170.4142.3-71.1164.9137.200121.9
513E33.1Very low35.8Very low155 Ų155143 Ų14372%0.72477%0.769SS**  cis-164.8157.7-46.1-161-137.581.900109.4
514T30.6Very low35.8Very low118 Ų118140.1 Ų140.172%0.72477%0.768SS**  trans148.6141.6133.952.20000118.8
515K27.5Very low35.5Very low199 Ų199137.5 Ų137.587%0.86577%0.768SS**  trans88156.8144.1-96.5176.5177.8173.30125
516L34.6Very low35.5Very low163 Ų163139.9 Ų139.985%0.85377%0.767SS**  trans-123.9-161.7-165.9-47.5164.3000110
517P57.9Low35.6Very low117 Ų117136.7 Ų136.776%0.7676%0.764SS**  cis-135.8-136.5-12.343.7-21.8000111.6
518P61.3Low34.1Very low108 Ų108138.8 Ų138.870%0.70177%0.774SS**  cis-136.9174.7-32.640.5-22.7000118.3
519S33.8Very low33.2Very low94 Ų94136.8 Ų136.866%0.65777%0.774SS**  trans82.9122.1135.8-820000128.9
520M33.1Very low33.4Very low151 Ų151136.3 Ų136.374%0.74478%0.778SS**  66.3160.3125.2-61.5-164.9-166.800123.6
521K33.4Very low33.4Very low158 Ų158132.7 Ų132.769%0.68778%0.776SS**  cis-173.1146.6-24.6-103.4175.9-179176.20113.9
522F30.3Very low33.5Very low183 Ų183139.6 Ų139.680%0.80379%0.791SS**  trans68.4148.2140-89.1-58.5000129.1
523V26.7Very low33.4Very low142 Ų142135.9 Ų135.986%0.86179%0.785SS**  trans89.6153.6144.5165.10000121.7
524A28.1Very low33.3Very low95 Ų95134.2 Ų134.279%0.78579%0.791SS**  trans-122.5170.7-158.100000115.8
525A28.1Very low33.3Very low101 Ų101133.2 Ų133.284%0.83579%0.788SS**  trans-168.4173.5159.100000113.2
526N28.6Very low33.3Very low152 Ų152130.4 Ų130.481%0.81378%0.783SS**  trans-111.4175.8-173.1-72.7-12000114.8
527T28.6Very low33.3Very low128 Ų128127 Ų12779%0.78577%0.772SS**  trans102.1123.5147.3660000122.5
528V29.8Very low32Very low145 Ų145130.7 Ų130.788%0.87978%0.777SS**  trans60.2133.3133.9-179.80000121.5
529G29.8Very low30.5Very low71 Ų71132.2 Ų132.273%0.73278%0.784SS**  trans160.6119.916000000115.2
530D29.8Very low30.4Very low165 Ų165133.1 Ų133.188%0.88279%0.79SS**  trans-69.3160.4-175.7-58.9-100.3000116.6
531G30.6Very low30.5Very low74 Ų74133.2 Ų133.276%0.76379%0.794SS**  trans175.4100169.500000118.8
532Y34.9Very low30.3Very low231 Ų231134.3 Ų134.391%0.90680%0.802SS**  trans-30.8163153.5-66.6-90.2000116.9
533S30.7Very low30.4Very low103 Ų103133.5 Ų133.572%0.7280%0.8SS**  cis-173170.5-11178.10000108.5
534S31.3Very low31.1Very low121 Ų121132.5 Ų132.585%0.84680%0.797SS**  trans144.3144.9138.9-75.90000115.1
535S29.5Very low31.2Very low96 Ų96134.8 Ų134.867%0.67179%0.794SS**  trans-149.2158.5163.5-169.10000108.6
536D29Very low31.3Very low141 Ų141135.4 Ų135.475%0.75479%0.788SS**  trans66161.5163.1-57.8-58000117.6
537S33.9Very low31.4Very low91 Ų91139 Ų13964%0.63679%0.79SS**  cis-164.1174.2-28.7-104.20000109
538F31.1Very low31.4Very low195 Ų195141.2 Ų141.286%0.85579%0.792SS**  trans64.6148.5165.2-94.1-85.1000120
539T30.2Very low31.3Very low140 Ų140145.7 Ų145.786%0.85979%0.793SS**  -147.2149.7122.349.40000110.7
540S30Very low31.5Very low112 Ų112146.9 Ų146.978%0.78379%0.79SS**  trans-145.1161.2155.1-161.50000107.9
541D36.6Very low31.7Very low153 Ų153148 Ų14882%0.81879%0.789SS**  trans-20149.3-172.5-129.1-81.1000122.1
542Q28Very low31.9Very low182 Ų182150 Ų15085%0.8579%0.792SS**  trans150.8134.4131.7-171.2153.391.500114
543E33.8Very low31.6Very low166 Ų166142.4 Ų142.478%0.77678%0.784SS**  trans-79.5162.5173.3-57-172.479.700113
544P40.5Very low31.7Very low121 Ų121142.6 Ų142.679%0.78679%0.792SS**  -151.1139.393.336.5-17.7000118.4
545I31.4Very low31.6Very low143 Ų143142.1 Ų142.173%0.73379%0.789SS**  trans11.3130.5139.6-20.9176.2000120.3
546T29.2Very low32.4Very low113 Ų113143 Ų14369%0.69379%0.792SS**  148.1120.8118.6-59.30000116.4
547R30.2Very low32.5Very low227 Ų227143.8 Ų143.886%0.85780%0.796SS**  trans22.7133.9152.5-53.8171.1162.6-128.9-1.7122
548Q28.9Very low32.6Very low176 Ų176143.2 Ų143.282%0.82280%0.797SS**  148.6113.896.1-173.9166.8-22.100115.4
549R27.6Very low33.1Very low239 Ų239142.3 Ų142.390%0.90280%0.8SS**  -161.6162.5125.3-153.3161.2-176.7172.91.4110.2
550S34.4Very low33.5Very low96 Ų96144.8 Ų144.867%0.67180%0.799SS**  trans-156.3167.2-170.6-49.80000112.2
551Q34Very low33.9Very low187 Ų187144.4 Ų144.487%0.87480%0.803SS**  trans72143.4165.3-63.4178.44200115.9
552S33.9Very low34.3Very low116 Ų116143.2 Ų143.281%0.81180%0.801SS**  cis-166.5154.9-4.942.30000111.1
553G29.3Very low35.7Very low73 Ų73138.5 Ų138.575%0.75379%0.793SS**  trans175.5111.8166.300000116.1
554A33.1Very low36.7Very low107 Ų107136.2 Ų136.288%0.88479%0.793SS**  trans50.6119.8156.600000121.3
555S29.2Very low37.7Very low110 Ų110136.1 Ų136.177%0.76979%0.792SS**  trans-117.7153.6136.9-1780000106.6
556P47.1Very low39.2Very low115 Ų115134.8 Ų134.875%0.74779%0.792SS**  -144.2167102.839.8-27000115.7
557D30.3Very low40.5Very low158 Ų158135 Ų13585%0.84580%0.796SS**  trans76.7166.4153.7-122.5-47.6000120.4
558A36.1Very low42.1Very low79 Ų79129.9 Ų129.965%0.65379%0.792SS**  trans-84.4147-149.100000115.7
559L41.5Very low43.1Very low175 Ų175127.5 Ų127.592%0.91679%0.792SS**  -165.9161.4112-99165.9000110.9A561L559-A561 PolarHBondContact O-N 3.02Å
560K38.9Very low44.2Very low192 Ų192127.1 Ų127.184%0.83579%0.79SS**  trans-70.2123.3-170.6-72.2175.7177.6170.80113.1
561A37.4Very low44.8Very low105 Ų105128.3 Ų128.387%0.86880%0.796SS**  trans-71133.2155.500000110.1L559L559-A561 PolarHBondContact O-N 3.02Å
562V46.1Very low44.8Very low128 Ų128128.3 Ų128.378%0.77680%0.796SS**  trans-118.7116.5174175.50000108.1
563A56.7Low45.2Very low82 Ų82131.1 Ų131.168%0.67880%0.796SS**PPolyproline II helixtrans-71.1146.9172.800000110.8
564P54.7Low45.6Very low119 Ų119132.8 Ų132.877%0.77380%0.796SS**PPolyproline II helixtrans-63.9144.9175.727.4-34.5000111.3
565P61.4Low46.1Very low118 Ų118135.2 Ų135.277%0.76679%0.789SS**PPolyproline II helixtrans-75.3150.1-173.930.4-35.7000113
566P63.8Low46.5Very low115 Ų115135.2 Ų135.275%0.74779%0.789SS**PPolyproline II helixtrans-70.6156.5171.531-35.5000112.1
567P56.3Low46.1Very low119 Ų119141.4 Ų141.477%0.77380%0.797SS**PPolyproline II helixtrans-67.7154.5-18028.2-35.4000113.2
568P62.6Low46.2Very low119 Ų119139.8 Ų139.877%0.77380%0.798SS**PPolyproline II helixtrans-76.4152-173.130.8-36.2000113.9
569P50.7Low46.2Very low126 Ų126141.7 Ų141.782%0.81881%0.807SS**PPolyproline II helixtrans-74.3144.317731.3-35.3000112.6
570R50.4Low45.9Very low230 Ų230138.2 Ų138.287%0.86880%0.797SS**PPolyproline II helixtrans-80.4137.8174-171.5176.2-69.4178.4-2110.5
571P47.6Very low46.1Very low121 Ų121137.4 Ų137.479%0.78680%0.801SS**PPolyproline II helixtrans-63.8150.2178.9-23.434.6000114
572Q33.8Very low46.3Very low187 Ų187139.4 Ų139.487%0.87480%0.798SS**PPolyproline II helixtrans-89.5142.8171.4-70-70.1-18.500110.5
573Q41.6Very low46.1Very low176 Ų176141.8 Ų141.882%0.82280%0.802SS**  trans-98.3111-179.3-166.5163.1-4.800109.9
574S39.1Very low45Very low108 Ų108145.4 Ų145.476%0.75581%0.81SS**  trans-89.2113.4-173.5-170.20000111.4
575H42.1Very low44Very low158 Ų158150.3 Ų150.373%0.73181%0.813SS**  trans-72.1144.6164-69.9-93.6000110.6
576S37.8Very low42.7Very low110 Ų110150.7 Ų150.777%0.76981%0.814SS**  trans-152.6145.9170.1-75.70000108.9
577R39Very low41.1Very low244 Ų244154.9 Ų154.992%0.92182%0.82SS**  trans-84.6154.2-153-70.3158.368.2171.32.6112.8
578S33Very low39.9Very low124 Ų124154 Ų15487%0.86782%0.824SS**  trans-23.2134.6167.5-37.70000116.2
579S35.1Very low38.6Very low120 Ų120152.8 Ų152.884%0.83982%0.823SS**  trans-125.8120149.2-174.90000108.9
580S35.5Very low38.6Very low101 Ų101152.2 Ų152.271%0.70682%0.82SS**  trans-41.7150168-44.40000114
581L43.5Very low37.7Very low175 Ų175146.2 Ų146.292%0.91682%0.819SS**  trans-109123.5156.1-101.5171.6000108.5
582D41.9Very low37.4Very low148 Ų148145 Ų14579%0.79182%0.82SS**  trans-68.9142.8178.5-65.9-89.5000112.6
583M42.4Very low37.7Very low178 Ų178142.5 Ų142.588%0.87782%0.819SS**  trans-95.2102.3152.5-72.7-147.9-61.500109.2
584N33.3Very low37.3Very low158 Ų158137.8 Ų137.885%0.84582%0.818SS**  trans179.5144.4133.9-105-69.4000114.9
585R34.2Very low37.4Very low222 Ų222141.8 Ų141.884%0.83883%0.825SS**  trans107.6139.6142.3-156.1-177.7-80.2-90.3-3.2119.6
586T33Very low37.3Very low125 Ų125139.8 Ų139.877%0.76783%0.826SS**  trans8292.5157.615.40000120.4
587F30.2Very low37.1Very low203 Ų203142.3 Ų142.389%0.8983%0.826SS**  trans-32.8168.1138.1-79.9-101.9000117.7
588A31.6Very low37.4Very low102 Ų102136.6 Ų136.684%0.84382%0.82SS**  trans82.4135159.400000115.6
589A34.7Very low37.4Very low92 Ų92136.4 Ų136.476%0.7682%0.819SS**  cis-160.3-167.5-0.900000108.3
590P50.2Low37.2Very low115 Ų115135.3 Ų135.375%0.74782%0.817SS**  cis-138.9167-4.342.1-24.8000117.6
591A32.7Very low37.2Very low103 Ų103138.2 Ų138.285%0.85182%0.823SS**  trans58.9152.1154.800000119.1
592A40.2Very low36.6Very low97 Ų97134.4 Ų134.480%0.80282%0.816SS**  cis-140-172.817.500000111.3
593P40.2Very low36.4Very low133 Ų133136.9 Ų136.986%0.86482%0.821SS**  trans-111.9163.4-141.741.7-38.8000119
594G34.7Very low36.5Very low78 Ų78134.2 Ų134.280%0.80482%0.817SS**  trans-171.9146.3166.200000113.3
595Q39.8Very low37.2Very low191 Ų191132.9 Ų132.989%0.89382%0.817SS**  trans-114.1178-178.2-67.4176-96.700111.1
596P40.5Very low37.5Very low116 Ų116126.6 Ų126.675%0.75381%0.812SS**  cis-128.3-177.9-44.835.8-19.1000113.1
597Q34.1Very low37.4Very low164 Ų164127.3 Ų127.377%0.76682%0.816SS**  trans-84.5162.5170.4-73-76-4.900112.7
598P44Very low38Very low123 Ų123123.2 Ų123.280%0.79981%0.81SS**  -142.4173.7100.139-24.5000116.3
599S33.3Very low39.1Very low120 Ų120124.1 Ų124.184%0.83981%0.807SS**  trans-102.9155.3-152.5-34.70000118.5
600A32.1Very low38.9Very low98 Ų98131.3 Ų131.381%0.8182%0.815SS**  trans-164.8167.1161.800000112.4
601I35.5Very low38.6Very low162 Ų162131 Ų13183%0.83181%0.813SS**  -159.9150.5-53.7-141.6169.3000112
602A31.2Very low38.6Very low94 Ų94134.1 Ų134.178%0.77781%0.814SS**  trans60.1151.1161.500000123.3
603F37.2Very low38.7Very low200 Ų200135.2 Ų135.288%0.87781%0.813SS**  trans-103.5170.9167.6-63.7-98.9000110.5
604P43.8Very low38.3Very low122 Ų122135.8 Ų135.879%0.79281%0.814SS**  -149.3-140.794.643-20.9000114.8
605P49.2Very low38.2Very low130 Ų130141.6 Ų141.684%0.84482%0.82SS**  -130.5-154.1-126.239.2-13.7000116.8
606A38.7Very low37.7Very low91 Ų91138.1 Ų138.175%0.75282%0.818SS**  trans-140.4-170.2-169.100000115.6
607V31.2Very low37.2Very low139 Ų139138 Ų13884%0.84282%0.819SS**  trans85.7154.5171.2-175.40000115.6
608P42.5Very low37Very low117 Ų117136.7 Ų136.776%0.7682%0.822SS**  cis-129-170.4-17.434-12.5000116.5
609P55.5Low37.3Very low121 Ų121135.6 Ų135.679%0.78682%0.815SS**  trans-123.916217541.6-30.4000118.4
610R31Very low37.2Very low243 Ų243137.8 Ų137.892%0.91782%0.816SS**  trans174.8178165.2-108.4-176.7-164.8-117.3-0.3112.1
611P43.7Very low37.2Very low110 Ų110139.7 Ų139.771%0.71482%0.818SS**  cis-136-165.8-31.840.9-22.2000114.3
612L31.5Very low36.8Very low167 Ų167135 Ų13587%0.87481%0.811SS**  trans-99.6163.8169-8479.5000113.5
613P43.8Very low36.8Very low120 Ų120139.3 Ų139.378%0.77981%0.814SS**  trans-102.4165.7176.139.6-34.7000115.7
614T31.4Very low36.3Very low145 Ų145139 Ų13989%0.8981%0.807SS**  trans-146.1167.1167450000110.2
615Q31.5Very low35.7Very low200 Ų200138.2 Ų138.294%0.93580%0.8SS**  trans-128.1165.2173.9-75.6-152.376.100112.4
616S29.3Very low34.8Very low119 Ų119138.6 Ų138.683%0.83279%0.79SS**  trans-142.7171.1-167.2580000114
617S30.4Very low34.4Very low112 Ų112139 Ų13978%0.78379%0.794SS**  trans-146.2153.2-177.557.80000112.9
618V29.5Very low34.3Very low137 Ų137142 Ų14283%0.8380%0.798SS**  trans-169.6165.1-171.7-980000110.5
619P50.5Low33.7Very low101 Ų101139.7 Ų139.766%0.65680%0.796SS**  cis-145.5-170.1-35.542.1-23.5000115.7
620L31.3Very low32.7Very low165 Ų165140.7 Ų140.786%0.86480%0.8SS**  trans73.7138158.2-67167000118.6
621T31.6Very low33.5Very low138 Ų138134.7 Ų134.785%0.84779%0.792SS**  cis-143.3-166.86.967.10000110
622G28.7Very low33Very low65 Ų65134 Ų13467%0.6780%0.796SS**  cis157.7146.5-7.200000114.5
623H30.6Very low32.9Very low184 Ų184130.2 Ų130.285%0.85280%0.797SS**  trans62.1134.7174.5-116.48.4000117.4
624R26.1Very low32.1Very low193 Ų193128.2 Ų128.273%0.72880%0.798SS**  cis87.8115.410.4-156.7-153.7162.4167.8-4.2118.6E626R624-E626 IonicContact CZ-OE2 3.21Å; R624-E626 IonicContact NE-OE2 2.7Å; R624-E626 PolarHBondContact NE-OE2 2.7Å; R624-E626 IonicContact NH2-OE2 3.02Å; R624-E626 PolarHBondContact NH2-OE2 3.18Å
625V31.4Very low32.2Very low105 Ų105126.7 Ų126.764%0.63680%0.8SS**  162.5109.6121.7164.40000113.3
626E30.1Very low32.1Very low139 Ų139120.9 Ų120.965%0.6579%0.794SS**  trans33.8150.4135.8-61.1157.585.800126.4R624R624-E626 IonicContact CZ-OE2 3.21Å; R624-E626 IonicContact NE-OE2 2.7Å; R624-E626 PolarHBondContact NE-OE2 2.7Å; R624-E626 IonicContact NH2-OE2 3.02Å; R624-E626 PolarHBondContact NH2-OE2 3.18Å
627A31.1Very low32.3Very low100 Ų100123.3 Ų123.383%0.82680%0.797SS**  trans72.8149.615100000120.4
628E28.8Very low32.2Very low201 Ų201125.3 Ų125.394%0.93980%0.804SS**  cis-162.5166.7-28.4-156-143.1151.500107.9
629G29.8Very low32.1Very low69 Ų69125.2 Ų125.271%0.71181%0.805SS**  trans133.3121.6164.300000117.8
630V34.8Very low31.1Very low142 Ų142126.7 Ų126.786%0.86181%0.812SS**  trans-119.6160176.6156.50000107.2
631P47.5Very low31Very low116 Ų116124.3 Ų124.375%0.75381%0.809SS**  cis-132.4172.212.832.6-11.6000117.3
632A32.4Very low32Very low96 Ų96122.1 Ų122.179%0.79380%0.797SS**  161.7115.911000000115.7
633G29.4Very low32Very low88 Ų88128.1 Ų128.191%0.90781%0.808SS**  trans76117142.100000121.5
634G28Very low32.1Very low77 Ų77128.2 Ų128.279%0.79481%0.809SS**  trans131.282.314100000119.8
635A32.8Very low32.5Very low114 Ų114126.3 Ų126.394%0.94281%0.811SS**  trans56.5131.6150.100000121.7
636G30Very low32.6Very low78 Ų78127.1 Ų127.180%0.80482%0.819SS**  trans157.5124.4167.600000111.9
637L32.7Very low32.7Very low169 Ų169129.8 Ų129.889%0.88583%0.831SS**  trans-104.9143.3-177.1-66.6168.8000111.5
638T28.3Very low32.8Very low154 Ų154132.8 Ų132.895%0.94583%0.828SS**  trans-169.5175.7134.4130000111.6
639T27.8Very low33.5Very low136 Ų136127.4 Ų127.483%0.83481%0.811SS**  trans-104.3165.9-154.4-167.10000115.5
640T30Very low34.5Very low132 Ų132129.4 Ų129.481%0.8181%0.805SS**  trans-98.5142.3-173.753.60000114.1
641S28.1Very low35.2Very low114 Ų114128.8 Ų128.880%0.79779%0.791SS**  trans-100.7-179.8160-143.90000108.5
642P52.8Low35.7Very low93 Ų93123.5 Ų123.560%0.60476%0.757SS**  cis-140.2176.41.743.4-26.5000116.4
643Q29.5Very low37.1Very low190 Ų190120.7 Ų120.789%0.88873%0.728SS**  trans-155153.2139.2-132.880.69100110.3
644Q32.9Very low38.6Very low187 Ų187116.9 Ų116.987%0.87469%0.687SS**  trans-103.3144.4-169.6-70.1167.6-10200113.5
645I33.3Very low39.8Very low153 Ų153117 Ų11779%0.78568%0.676SS**  trans-114.5142.9154.7-63.3175.5000106.5Q647I645-Q647 PolarHBondContact O-N 2.84Å
646P34.8Very low40.7Very low122 Ų122117.8 Ų117.879%0.79266%0.66SS**PPolyproline II helixtrans-63125.5177.8-20.433.1000111.1
647Q32.1Very low41.5Very low194 Ų194118.8 Ų118.891%0.90764%0.642SS**PPolyproline II helixtrans-73.7130.2170.3-66.9-156.761.200109.7I645I645-Q647 PolarHBondContact O-N 2.84Å
648Q32.3Very low42.3Very low164 Ų164118 Ų11877%0.76663%0.634SS**PPolyproline II helixtrans-70.2151.7166.7-62.8-14857.300109.7
649P44.4Very low42.9Very low88 Ų88114.3 Ų114.357%0.57162%0.62SS**PPolyproline II helixtrans-65.1143.2174.928.8-34.7000110.4F651P649-F651 HydrophobicContact CG-CD2 4.37Å; P649-F651 HydrophobicContact CG-CE1 4.34Å; P649-F651 HydrophobicContact CG-CE2 3.78Å; P649-F651 HydrophobicContact CG-CZ 3.76Å; P649-F651 VanDerWaalsContact O-CD2 3.3Å; P649-F651 WeakPolarHBondContact O-CD2 3.45Å; P649-F651 PolarHBondContact O-N 2.77Å
650N51.6Low43.3Very low111 Ų111114.8 Ų114.859%0.59461%0.61SS**  trans-70.792.9174.7-177.26.4000110.2A652 D653N650-A652 PolarHBondContact O-N 3.41Å; N650-A652 PolarHBondContact OD1-N 3.26Å; N650-D653 HydrophobicContact CB-CB 4.31Å; N650-D653 WeakPolarHBondContact O-CB 3.45Å; N650-D653 PolarHBondContact O-N 3.46Å; N650-D653 VanDerWaalsContact O-N 3.14Å; N650-D653 PolarHBondContact OD1-N 2.88Å
651F48.6Very low43.8Very low129 Ų129112.3 Ų112.357%0.56660%0.603SS**THydrogen-bonded Turntrans-63.3-23.9179.6-74.3-76.3000113.3P649P649-F651 HydrophobicContact CG-CD2 4.37Å; P649-F651 HydrophobicContact CG-CE1 4.34Å; P649-F651 HydrophobicContact CG-CE2 3.78Å; P649-F651 HydrophobicContact CG-CZ 3.76Å; P649-F651 VanDerWaalsContact O-CD2 3.3Å; P649-F651 WeakPolarHBondContact O-CD2 3.45Å; P649-F651 PolarHBondContact O-N 2.77Å
652A58.5Low44.3Very low5 Ų5111.1 Ų111.14%0.04160%0.6CS.*THydrogen-bonded Turntrans-99.328175.500000112.7W346 N650 F654W346-A652 HydrophobicContact CD2-CB 3.93Å; W346-A652 HydrophobicContact CG-CB 3.9Å; N650-A652 PolarHBondContact O-N 3.41Å; N650-A652 PolarHBondContact OD1-N 3.26Å; A652-F654 HydrophobicContact CB-CE2 4.36Å; A652-F654 WeakPolarHBondContact O-CD2 3.23Å; A652-F654 PolarHBondContact O-N 2.9Å
653D60.8Low43.5Very low36 Ų36111 Ų11119%0.19360%0.602CS.*  trans-63.794.6177.117728.8000112.1K329 N650 S655 Q656K329-D653 PolarHBondContact NZ-O 2.77Å; N650-D653 HydrophobicContact CB-CB 4.31Å; N650-D653 WeakPolarHBondContact O-CB 3.45Å; N650-D653 PolarHBondContact O-N 3.46Å; N650-D653 VanDerWaalsContact O-N 3.14Å; N650-D653 PolarHBondContact OD1-N 2.88Å; D653-S655 VanDerWaalsContact C-N 3.29Å; D653-S655 PolarHBondContact O-N 2.73Å; D653-S655 WeakPolarHBondContact OD1-CB 3.28Å; D653-S655 PolarHBondContact OD1-N 2.81Å; D653-S655 PolarHBondContact OD1-OG 3.39Å; D653-Q656 WeakPolarHBondContact OD2-CG 3.22Å; D653-Q656 PolarHBondContact OD2-NE2 3.4Å
654F61.7Low43.7Very low9 Ų9110.9 Ų110.94%0.03960%0.601CS.*  trans-70.9-22.5176.8-82.5-80.4000112.8K329 I339 L342 W346 A652 Q656 F657K329-F654 HydrophobicContact CB-CE1 4.13Å; K329-F654 HydrophobicContact CB-CZ 4.21Å; K329-F654 HydrophobicContact CD-CD1 4.19Å; K329-F654 HydrophobicContact CD-CE1 4.16Å; K329-F654 HydrophobicContact CG-CD1 4.13Å; K329-F654 HydrophobicContact CG-CE1 3.68Å; K329-F654 HydrophobicContact CG-CZ 4.22Å; I339-F654 HydrophobicContact CG2-CB 3.69Å; I339-F654 VanDerWaalsContact CG2-O 3.23Å; I339-F654 WeakPolarHBondContact CG2-O 3.16Å; L342-F654 HydrophobicContact CB-CD1 4Å; L342-F654 HydrophobicContact CB-CE1 3.53Å; L342-F654 HydrophobicContact CB-CZ 3.86Å; L342-F654 HydrophobicContact CD1-CE1 4.24Å; W346-F654 HydrophobicContact CB-CE2 3.99Å; W346-F654 HydrophobicContact CG-CE2 4.45Å; A652-F654 HydrophobicContact CB-CE2 4.36Å; A652-F654 WeakPolarHBondContact O-CD2 3.23Å; A652-F654 PolarHBondContact O-N 2.9Å; F654-Q656 VanDerWaalsContact C-N 3.31Å; F654-Q656 PolarHBondContact O-N 3Å; F654-F657 PolarHBondContact O-N 3.3Å
655S53.6Low43.7Very low79 Ų79110.4 Ų110.455%0.55260%0.599SS**G310 helixtrans-57.2-37.3-170.2-36.50000114.1D653 F657 Q658D653-S655 VanDerWaalsContact C-N 3.29Å; D653-S655 PolarHBondContact O-N 2.73Å; D653-S655 WeakPolarHBondContact OD1-CB 3.28Å; D653-S655 PolarHBondContact OD1-N 2.81Å; D653-S655 PolarHBondContact OD1-OG 3.39Å; S655-F657 PolarHBondContact O-N 3.31Å; S655-Q658 WeakPolarHBondContact O-CB 3.36Å; S655-Q658 PolarHBondContact O-N 3.11Å
656Q51.3Low43.8Very low130 Ų130109.5 Ų109.561%0.60760%0.603SS**G310 helixtrans-57.6-22.2-177.3-71.8169.647.100114.2D653 F654 Q658D653-Q656 WeakPolarHBondContact OD2-CG 3.22Å; D653-Q656 PolarHBondContact OD2-NE2 3.4Å; F654-Q656 VanDerWaalsContact C-N 3.31Å; F654-Q656 PolarHBondContact O-N 3Å; Q656-Q658 VanDerWaalsContact C-N 3.35Å
657F46.3Very low43.6Very low99 Ų99109.2 Ų109.243%0.43460%0.604SS.*G310 helixtrans-77.9-14.5177.8-101.9-98000114.5I339 F654 S655 A659 F660 A661I339-F657 HydrophobicContact CD1-CB 3.68Å; I339-F657 HydrophobicContact CG1-CB 4.36Å; F654-F657 PolarHBondContact O-N 3.3Å; S655-F657 PolarHBondContact O-N 3.31Å; F657-A659 PolarHBondContact O-N 3.06Å; F657-F660 HydrophobicContact CD1-CB 4.45Å; F657-F660 PolarHBondContact O-N 3.36Å; F657-A661 PolarHBondContact O-N 2.8Å
658Q48.8Very low43.6Very low152 Ų152105.7 Ų105.771%0.7160%0.6SS**Hα-helixtrans-65.4-25.1177-163.6169.628.700112.1I339 S655 Q656I339-Q658 HydrophobicContact CD1-CB 4.5Å; S655-Q658 WeakPolarHBondContact O-CB 3.36Å; S655-Q658 PolarHBondContact O-N 3.11Å; Q656-Q658 VanDerWaalsContact C-N 3.35Å
659A42.3Very low43.6Very low78 Ų78105.6 Ų105.665%0.64561%0.605SS**Hα-helixtrans-71.6-30.5172.300000113.6F657F657-A659 PolarHBondContact O-N 3.06Å
660F36.2Very low43.9Very low145 Ų145106.5 Ų106.564%0.63661%0.61SS**Hα-helixtrans-87.4-37.9-179.6-81.9-83.8000112.8F657 A662 S663F657-F660 HydrophobicContact CD1-CB 4.45Å; F657-F660 PolarHBondContact O-N 3.36Å; F660-A662 PolarHBondContact O-N 3.39Å; F660-A662 VanDerWaalsContact O-N 3.11Å; F660-S663 WeakPolarHBondContact O-CB 3.49Å; F660-S663 PolarHBondContact O-N 2.76Å
661A40Very low42.7Very low81 Ų81108.8 Ų108.867%0.66962%0.623SS**Hα-helixtrans-61.7-20178.800000113.7F657F657-A661 PolarHBondContact O-N 2.8Å
662A37.9Very low41.8Very low88 Ų88109.3 Ų109.373%0.72763%0.63SS**THydrogen-bonded Turntrans-84.6-5.4174.700000114.3F660F660-A662 PolarHBondContact O-N 3.39Å; F660-A662 VanDerWaalsContact O-N 3.11Å
663S36.7Very low40.5Very low91 Ų91114.6 Ų114.664%0.63666%0.657SS**SBendtrans-108.6-3.3-165.6-165.80000115.9F660F660-S663 WeakPolarHBondContact O-CB 3.49Å; F660-S663 PolarHBondContact O-N 2.76Å
664E34.7Very low39.1Very low187 Ų187120.3 Ų120.387%0.87468%0.681SS**  trans-104.984.3177.1-69.9-156125.500112.7
665Q31.3Very low37.4Very low178 Ų178127.7 Ų127.783%0.83272%0.715SS**  trans-126.5121.8161.2-84.8-98.3-45.800108.4S667Q665-S667 PolarHBondContact O-N 3.33Å
666P35.9Very low36.2Very low133 Ų133128.3 Ų128.386%0.86472%0.719SS**  trans-83.7105.3-18031.4-32.4000111.5
667S31.7Very low34.9Very low116 Ų116130.3 Ų130.381%0.81173%0.729SS**  trans-105.9136.3172.859.20000112.3Q665Q665-S667 PolarHBondContact O-N 3.33Å
668S31.5Very low33.9Very low120 Ų120130.4 Ų130.484%0.83975%0.747SS**  trans-77.5142.6-17351.20000115.4
669L31.9Very low32.8Very low163 Ų163126.3 Ų126.385%0.85375%0.746SS**  trans-67.3172.8162.6-76.6168.8000112.9
670P49.7Very low32Very low107 Ų107132.1 Ų132.170%0.69576%0.76SS**  cis-130.3179.1-22.135.6-19.7000113
671D26.8Very low31.5Very low159 Ų159129 Ų12985%0.8576%0.761SS**  trans-152.1172.9135.1-135.3-34.7000112.3
672I31.3Very low30.8Very low140 Ų140131.2 Ų131.272%0.71876%0.762SS**  trans-115.5141.8-155.9-65.6166.4000112.6
673D29.2Very low30.3Very low116 Ų116134.8 Ų134.862%0.6276%0.761SS**  171.8157.4109.9-148.53.3000116.5
674K31.4Very low29.8Very low156 Ų156138 Ų13868%0.67877%0.769SS**  trans63.199.6150.2-87.8173-173.789.80125.1
675H27.4Very low29.4Very low164 Ų164133.8 Ų133.876%0.75976%0.761SS**  78.6130104.4-95.6-93000124.9
676S28.6Very low29.2Very low92 Ų92134.5 Ų134.564%0.64376%0.764SS**  trans69.3157.5138.1-69.70000120.8
677E23.1Very low28.8Very low172 Ų172131.8 Ų131.880%0.80476%0.76SS**  cis-172.3145.1-28-178.6170.3122.700108.9
678A26.1Very low28.6Very low100 Ų100131 Ų13183%0.82676%0.761SS**  trans59.6166.8170.500000116.5
679G25.8Very low28.4Very low67 Ų67129 Ų12969%0.69176%0.758SS**  cis179.3133.6-15.100000114.4
680Q24.8Very low29Very low199 Ų199126.4 Ų126.493%0.9375%0.752SS**  trans65.3150.8133.2-132.8175.945.900122.4
681A25.5Very low28.2Very low81 Ų81128.9 Ų128.967%0.66976%0.758SS**  trans88.5105.6143.300000121.3
682D25.3Very low28.3Very low126 Ų126131.8 Ų131.867%0.67476%0.757SS**  86.4104.8118-92.7-9.5000123.6
683K27.9Very low28.2Very low164 Ų164130 Ų13071%0.71376%0.763SS**  96.3164.1100.1-164.8-179-92.3152.40119.5
684I26.2Very low28.1Very low157 Ų157129.9 Ų129.981%0.80577%0.766SS**  trans86.5141.3167.5-46.9176.8000114.8
685S26.9Very low27.8Very low100 Ų100131.2 Ų131.270%0.69977%0.772SS**  175.5165.6-52.1-178.10000109.9
686E25.3Very low27.9Very low193 Ų193127.9 Ų127.990%0.90277%0.767SS**  trans78.7157.8162-54-143.6104.800121.2
687G28Very low27.8Very low75 Ų75130.6 Ų130.677%0.77378%0.775SS**  trans10962.3170.900000117.1
688A28.7Very low28.3Very low101 Ų101125.5 Ų125.584%0.83577%0.768SS**  100.154.758.200000117.7
689G26.4Very low28.9Very low76 Ų76126.9 Ų126.978%0.78477%0.768SS**  trans62.2-156.514800000119.9
690P45.1Very low29Very low110 Ų110127.7 Ų127.771%0.71477%0.769SS**  cis-143.7177-29.535.4-15.4000116.2
691L31.8Very low29.2Very low158 Ų158125.6 Ų125.683%0.82776%0.764SS**  trans80.1160.2159.4-48.7-177.1000120.9
692R29.5Very low29.2Very low221 Ų221127.9 Ų127.983%0.83476%0.761SS**  cis179.7128.2-38.4-170.5-176.1-156.3179.86.7111.5V694R692-V694 HydrophobicContact CG-CG2 4.48Å
693A28.6Very low29.6Very low101 Ų101131.1 Ų131.184%0.83576%0.764SS**  trans-174.7167.2155.600000112.6
694V27.1Very low29.7Very low114 Ų114129.1 Ų129.169%0.69177%0.765SS**  -172.1152.8-78.1143.10000111.4R692R692-V694 HydrophobicContact CG-CG2 4.48Å
695K25.8Very low29.7Very low184 Ų184127.2 Ų127.280%0.877%0.766SS**  trans88.3136.2177.9-69.5154.470.1174.40116
696S28.4Very low29.8Very low94 Ų94126.4 Ų126.466%0.65777%0.765SS**  cis85.5143.333.9-66.20000113.7
697D27.4Very low29.8Very low150 Ų150123.5 Ų123.580%0.80276%0.761SS**  cis-165.6170.1-12.9-105.9-58.6000108.2
698G33.5Very low29.9Very low65 Ų65125.8 Ų125.867%0.6776%0.759SS**  trans-79.1174.6165.900000112.5
699P39.1Very low29.9Very low128 Ų128127.4 Ų127.483%0.83175%0.754SS**  cis-153.8-161.940.743.5-20.4000116.6
700A28.4Very low30.2Very low84 Ų84128.3 Ų128.369%0.69475%0.748SS**  trans53.6134.2142.500000126
701D28.2Very low29.7Very low155 Ų155127.1 Ų127.183%0.82975%0.748SS**  trans71.1136.6137.5-79.4-58.5000128.3
702E26Very low29.7Very low129 Ų129129.9 Ų129.960%0.60375%0.753SS**  trans45.9128.5151.6-73-136.1-41.200128.6
703R34.1Very low29.7Very low195 Ų195122.7 Ų122.774%0.73675%0.748SS**  trans65.3133.4138-65-176.3-167.8164.925.4121
704T29.2Very low29.8Very low121 Ų121123.5 Ų123.574%0.74275%0.747SS**  -166.1154.36329.50000114.3
705S26.3Very low30.2Very low118 Ų118123.4 Ų123.483%0.82575%0.751SS**  trans66.3135.4153.6-64.90000120.4
706A29Very low30.4Very low83 Ų83118 Ų11869%0.68675%0.748SS**  cis-159.7152.6-1.900000113.7
707T25.4Very low31.7Very low132 Ų132119.5 Ų119.581%0.8176%0.756SS**  trans55.3118.2139.3-60.30000118.7
708V29.6Very low32Very low122 Ų122121.2 Ų121.274%0.73976%0.764SS**  cis-176176.69.875.20000108.2
709N29.7Very low32Very low135 Ų135122 Ų12272%0.72276%0.764SS**  cis-161-179.20.8-152.2-0.9000112.3
710S32.4Very low32.6Very low95 Ų95121.4 Ų121.466%0.66476%0.76SS**  trans24.4146.1145.7-65.60000124.5
711A33.6Very low32.8Very low85 Ų85123.1 Ų123.170%0.70276%0.764SS**  cis-172.7143-13.500000113.6
712K32.3Very low33.2Very low217 Ų217121.5 Ų121.594%0.94376%0.762SS**  trans45.1133.2132.5-152.3170.3-171.5173.70120.9
713G30.5Very low33.7Very low70 Ų70124.8 Ų124.872%0.72278%0.775SS**  cis154-179.6-5.400000114.1
714S30.8Very low34.4Very low117 Ų117121.1 Ų121.182%0.81878%0.776SS**  trans83.8140.8163.3-164.30000122.1
715S33.8Very low34.5Very low112 Ų112122.7 Ų122.778%0.78379%0.785SS**  trans64.612315242.10000122.3
716G31.6Very low35.1Very low71 Ų71127.9 Ų127.973%0.73279%0.787SS**  trans-113.7-141.5145.400000108.9
717P55.2Low35.5Very low125 Ų125134.8 Ų134.881%0.81280%0.795SS**  cis-128.3159.4-28.339.4-26.3000112.3
718L32.5Very low35.9Very low186 Ų186138.3 Ų138.397%0.97479%0.794SS**  trans-161.7159.6168-112.1145.9000113.3
719A33.6Very low35.9Very low83 Ų83138.4 Ų138.469%0.68679%0.789SS**  trans-124.1-175.4-165.500000112.4
720P51.9Low35.8Very low114 Ų114140.7 Ų140.774%0.7479%0.793SS**  trans-85.5172-147.337.5-41.6000116.2
721P33.5Very low36.2Very low120 Ų120140.9 Ų140.978%0.77979%0.794SS**  -138.7-143.6112.238.1-19.9000114.1
722P36.2Very low35.9Very low122 Ų122146 Ų14679%0.79280%0.803SS**  -124.6-169.8-114.338.5-17.4000117
723K36.3Very low35.6Very low198 Ų198142.5 Ų142.586%0.86180%0.795SS**  trans-104.4-165-177.4-51.6-176.7178.6177.90113.1
724P50.1Low35.8Very low118 Ų118147.3 Ų147.377%0.76680%0.798SS**  -132174.8-103.840.8-21.2000116.9
725V30.4Very low35.8Very low154 Ų154149.1 Ų149.193%0.93380%0.798SS**  trans-137.9173.6172.4-1720000111.9
726R39.3Very low35.6Very low226 Ų226153.4 Ų153.485%0.85380%0.797SS**  trans-144.8147.8-147170-166.1-172.9-172.36.7114.8
727R36.5Very low36.3Very low228 Ų228154.1 Ų154.186%0.8679%0.789SS**  trans-169.1137.9153.5-97.1156.984.1103.22.4109.2
728R33.3Very low35Very low207 Ų207156.3 Ų156.378%0.78179%0.789SS**  72.7137.562.4-67.4-157.399.11777.2113.7
729L29.9Very low34.9Very low124 Ų124153.4 Ų153.465%0.64977%0.774SS**  cis-177.8164.6-3.6175.170.9000110.2
730K28.8Very low34.9Very low183 Ų183156 Ų15680%0.79677%0.772SS**  trans103178.5149.6-107.5167.2-174.2-164.50121.2
731S39.5Very low33.9Very low98 Ų98157.2 Ų157.269%0.68577%0.767SS**  trans-164.9144.9-141.952.80000113.7
732E27Very low33.9Very low193 Ų193158 Ų15890%0.90276%0.764SS**  trans-178.7164.7169.4-109.6151.849.500107.8
733D27Very low33.5Very low144 Ų144155.3 Ų155.377%0.7776%0.758SS**  cis-151.7-175.1-10-161.812.3000110.4
734E34.3Very low34.3Very low170 Ų170151.2 Ų151.279%0.79475%0.752SS**  trans-82.7-176.4177.4-168.3158.588.300114.4
735L31.5Very low33.5Very low156 Ų156154.1 Ų154.182%0.81776%0.755SS**  trans112.2123.7160.6-57.9175.1000119
736R29.4Very low33.7Very low202 Ų202156.1 Ų156.176%0.76275%0.752SS**  trans-82.5-178.2158.9-96-173.767.3141.67.9109.3D739R736-D739 IonicContact NH2-OD1 3.13Å; R736-D739 PolarHBondContact NH2-OD1 3.29Å; R736-D739 VanDerWaalsContact NH2-OD1 3.13Å
737P47.2Very low33.6Very low86 Ų86150.1 Ų150.156%0.55875%0.75SS**  cis-143.4-162.619.742.7-21.1000116.1
738E27.3Very low33.3Very low171 Ų171143.2 Ų143.280%0.79975%0.75SS**  trans81141153.6-74.1161.3-159.700118.9
739D30.9Very low33.5Very low125 Ų125138 Ų13867%0.66875%0.751SS**  179.1174.7-61.4-93108.3000104.5R736R736-D739 IonicContact NH2-OD1 3.13Å; R736-D739 PolarHBondContact NH2-OD1 3.29Å; R736-D739 VanDerWaalsContact NH2-OD1 3.13Å
740E31.8Very low33.9Very low138 Ų138140 Ų14065%0.64576%0.761SS**  cis-146.7-137.29.9-159.9-113.297.400108.7
741Q32.7Very low34.2Very low138 Ų138136 Ų13665%0.64576%0.761SS**  trans78.784.8165.6-10168.186.200120.5
742I31.8Very low33.8Very low136 Ų136135.6 Ų135.670%0.69777%0.765SS**  49.8122.8113.6-61.4169.9000119.6
743G28.5Very low34.7Very low66 Ų66131.9 Ų131.968%0.6876%0.757SS**  trans-89.4-133.5161.200000112.5
744P53.5Low34.9Very low113 Ų113133.3 Ų133.373%0.73476%0.764SS**  cis-124.7174.3-34.841.3-28.8000112.1
745Q33.8Very low35.2Very low178 Ų178131.3 Ų131.383%0.83276%0.763SS**  trans-171.6138.1155.5-102.3144.2100.900109.5
746K34.2Very low35.3Very low197 Ų197129 Ų12986%0.85776%0.76SS**  54144.579.2-70.3-172.3174.9-179.20114.8
747A36.3Very low35.5Very low100 Ų100127.8 Ų127.883%0.82676%0.763SS**  cis-174.1163.7-19.700000108.6
748G31.6Very low35.1Very low83 Ų83129 Ų12986%0.85677%0.771SS**  trans126.2149.9166.600000114.8
749A35.9Very low35.5Very low96 Ų96126.7 Ų126.779%0.79377%0.774SS**  trans-140.7159.7-178.500000110.6
750I38.8Very low36.3Very low167 Ų167128.1 Ų128.186%0.85678%0.78SS**  -173.8151.8127.441.6178.2000111.8
751A34.3Very low37.1Very low98 Ų98126.3 Ų126.381%0.8178%0.78SS**  trans14.2149.2151.900000122.1
752A32.3Very low38Very low91 Ų91131.8 Ų131.875%0.75280%0.795SS**  cis-167.8-152.1-10.700000108.9
753P45.1Very low38.9Very low115 Ų115128.1 Ų128.175%0.74778%0.781SS**  -118.5140.9-93.136.2-22000115
754L31.3Very low40Very low173 Ų173130.6 Ų130.691%0.90678%0.778SS**  trans-142.7153.9163.7-77-179.5000112.7
755T40.4Very low40.1Very low129 Ų129127.7 Ų127.779%0.79177%0.768SS**  trans-55.6137.2-167.31760000118.9
756S34.7Very low41.6Very low107 Ų107127.1 Ų127.175%0.74876%0.763SS**  trans-173.7116.9146.617.30000108.6
757Q32.3Very low43.3Very low176 Ų176121.7 Ų121.782%0.82274%0.743SS**  61.2131.391.9-73.2-69.5-18.100115.3
758P39.1Very low45.5Very low113 Ų113124 Ų12473%0.73474%0.735SS**PPolyproline II helixtrans-87.6160.6-160.136.1-35.9000114.8
759S36Very low48.1Very low121 Ų121127.5 Ų127.585%0.84673%0.726SS**PPolyproline II helixtrans-90.5138.3179.6-67.40000113.4
760I48.9Very low50.4Low156 Ų156126 Ų12680%0.871%0.714SS**PPolyproline II helixtrans-75.1136.5-179.7-60.5170.2000111.2
761P47.2Very low52.9Low100 Ų100122.9 Ų122.965%0.64970%0.698SS**PPolyproline II helixtrans-65.8148.6178.6-2334.5000115.1S763P761-S763 VanDerWaalsContact C-N 3.3Å; P761-S763 PolarHBondContact O-N 2.84Å; P761-S763 VanDerWaalsContact O-N 3.14Å
762R52.4Low55.7Low252 Ų252124.6 Ų124.695%0.95169%0.689SS**SBendtrans-85.844.3-179.5-63.2179.9177.9160.2-0.9114
763S50.9Low58.6Low60 Ų60123.1 Ų123.142%0.4268%0.677SS.*  trans-75.6-49.9-179.543.90000113.6P761 G765 K766P761-S763 VanDerWaalsContact C-N 3.3Å; P761-S763 PolarHBondContact O-N 2.84Å; P761-S763 VanDerWaalsContact O-N 3.14Å; S763-G765 PolarHBondContact O-N 2.88Å; S763-K766 PolarHBondContact O-N 3.43Å
764I50.3Low60.8Low118 Ų118120.4 Ų120.461%0.60566%0.661SS**Hα-helixtrans-37.5-35.4-171.7-85.462.6000115.7K766 K768I764-K766 VanDerWaalsContact C-N 3.32Å; I764-K766 PolarHBondContact O-N 2.77Å; I764-K768 WeakPolarHBondContact O-CB 3.32Å; I764-K768 PolarHBondContact O-N 3.37Å
765G57.3Low63.8Low51 Ų51117.4 Ų117.453%0.52665%0.645SS.*Hα-helixtrans-68.7-22-177.600000115.4S763S763-G765 PolarHBondContact O-N 2.88Å
766K63.5Low66.4Low167 Ų167119.1 Ų119.173%0.72664%0.637SS**Hα-helixtrans-84-48.4176.2-66.8-177.8-179.4179.50110.7S763 I764 K768 K769 A770S763-K766 PolarHBondContact O-N 3.43Å; I764-K766 VanDerWaalsContact C-N 3.32Å; I764-K766 PolarHBondContact O-N 2.77Å; K766-K768 VanDerWaalsContact C-N 3.31Å; K766-K768 PolarHBondContact O-N 2.95Å; K766-K769 WeakPolarHBondContact O-CB 3.42Å; K766-K769 PolarHBondContact O-N 3.09Å; K766-A770 PolarHBondContact O-N 2.65Å
767D71.6Confident69.3Low82 Ų82122.3 Ų122.344%0.43963%0.632SS.*Hα-helixtrans-63.8-39-175.1-43.2-50.4000110.9K769 A770 I771D767-K769 PolarHBondContact O-N 2.7Å; D767-A770 PolarHBondContact O-N 2.89Å; D767-A770 VanDerWaalsContact O-N 3.09Å; D767-I771 WeakPolarHBondContact O-CB 3.46Å; D767-I771 VanDerWaalsContact O-CG1 3.3Å; D767-I771 WeakPolarHBondContact O-CG1 3.18Å; D767-I771 PolarHBondContact O-N 2.9Å
768K81.9Confident72.2Confident149 Ų149118.5 Ų118.565%0.64862%0.617SS**Hα-helixtrans-54.9-35.9172.4-174.3169.3-177.21710113.4I764 K766 Q772I764-K768 WeakPolarHBondContact O-CB 3.32Å; I764-K768 PolarHBondContact O-N 3.37Å; K766-K768 VanDerWaalsContact C-N 3.31Å; K766-K768 PolarHBondContact O-N 2.95Å; K768-Q772 WeakPolarHBondContact O-CB 3.35Å; K768-Q772 PolarHBondContact O-N 3.04Å; K768-Q772 VanDerWaalsContact O-N 3.09Å
769K85.3Confident74.9Confident156 Ų156120.4 Ų120.468%0.67861%0.614SS**Hα-helixtrans-75.2-40.1176.1-68.4-175177.6-176.20111.9K766 D767 Q772 A773K766-K769 WeakPolarHBondContact O-CB 3.42Å; K766-K769 PolarHBondContact O-N 3.09Å; D767-K769 PolarHBondContact O-N 2.7Å; K769-Q772 PolarHBondContact O-N 3.2Å; K769-A773 WeakPolarHBondContact O-CB 3.48Å; K769-A773 PolarHBondContact O-N 2.81Å
770A85.7Confident77.7Confident65 Ų65119.2 Ų119.254%0.53760%0.595SS.*Hα-helixtrans-62.9-45.6175.900000111.5K766 D767 A773 S774K766-A770 PolarHBondContact O-N 2.65Å; D767-A770 PolarHBondContact O-N 2.89Å; D767-A770 VanDerWaalsContact O-N 3.09Å; A770-A773 PolarHBondContact O-N 3.05Å; A770-S774 WeakPolarHBondContact O-CB 3.43Å; A770-S774 PolarHBondContact O-N 3.41Å
771I89.9Confident79.9Confident102 Ų102115.1 Ų115.152%0.52358%0.578SS.*Hα-helixtrans-60.6-46.9175-66.9163.9000110.6D767 A773 S774 I775D767-I771 WeakPolarHBondContact O-CB 3.46Å; D767-I771 VanDerWaalsContact O-CG1 3.3Å; D767-I771 WeakPolarHBondContact O-CG1 3.18Å; D767-I771 PolarHBondContact O-N 2.9Å; I771-A773 VanDerWaalsContact C-N 3.34Å; I771-A773 PolarHBondContact O-N 3.31Å; I771-S774 WeakPolarHBondContact O-CB 3.17Å; I771-S774 PolarHBondContact O-N 2.97Å; I771-S774 VanDerWaalsContact O-N 3.17Å; I771-I775 HydrophobicContact CG2-CD1 3.79Å; I771-I775 HydrophobicContact CG2-CG1 4.42Å; I771-I775 WeakPolarHBondContact O-CG1 3.49Å; I771-I775 PolarHBondContact O-N 3.22Å
772Q93.5Very high82.2Confident133 Ų133115.5 Ų115.562%0.62157%0.574SS**Hα-helixtrans-63.8-36.9178.4-169.1175.118.600112.8K768 K769 R776K768-Q772 WeakPolarHBondContact O-CB 3.35Å; K768-Q772 PolarHBondContact O-N 3.04Å; K768-Q772 VanDerWaalsContact O-N 3.09Å; K769-Q772 PolarHBondContact O-N 3.2Å; Q772-R776 WeakPolarHBondContact O-CB 3.39Å; Q772-R776 PolarHBondContact O-N 3.16Å
773A92.9Very high84.4Confident60 Ų60106.4 Ų106.450%0.49655%0.547SS..Hα-helixtrans-67.8-37.5173.200000112.3K769 A770 I771 R776 R777K769-A773 WeakPolarHBondContact O-CB 3.48Å; K769-A773 PolarHBondContact O-N 2.81Å; A770-A773 PolarHBondContact O-N 3.05Å; I771-A773 VanDerWaalsContact C-N 3.34Å; I771-A773 PolarHBondContact O-N 3.31Å; A773-R776 PolarHBondContact O-N 3.46Å; A773-R777 PolarHBondContact O-N 2.97Å
774S91.4Very high86.5Confident59 Ų59107.1 Ų107.141%0.41355%0.548SS..Hα-helixtrans-65.5-47.1174.8-167.20000111.8A770 I771 R776 R777 N778A770-S774 WeakPolarHBondContact O-CB 3.43Å; A770-S774 PolarHBondContact O-N 3.41Å; I771-S774 WeakPolarHBondContact O-CB 3.17Å; I771-S774 PolarHBondContact O-N 2.97Å; I771-S774 VanDerWaalsContact O-N 3.17Å; S774-R776 VanDerWaalsContact C-N 3.27Å; S774-R776 PolarHBondContact O-N 3.4Å; S774-R777 PolarHBondContact O-N 2.89Å; S774-N778 WeakPolarHBondContact O-CB 3.47Å; S774-N778 PolarHBondContact O-N 3.36Å
775I94.3Very high88.7Confident110 Ų110106.7 Ų106.756%0.56455%0.547SS*.Hα-helixtrans-57.2-41.9173.6-68.6166.3000110.8I771 N778 K779I771-I775 HydrophobicContact CG2-CD1 3.79Å; I771-I775 HydrophobicContact CG2-CG1 4.42Å; I771-I775 WeakPolarHBondContact O-CG1 3.49Å; I771-I775 PolarHBondContact O-N 3.22Å; I775-N778 PolarHBondContact O-N 3.04Å; I775-K779 WeakPolarHBondContact O-CB 3.33Å; I775-K779 PolarHBondContact O-N 2.86Å
776R96.3Very high90.6Very high165 Ų165106.8 Ų106.862%0.62354%0.543SS*.Hα-helixtrans-61.9-50.6175.3179177.3171.8169.60.3111.8Q772 A773 S774 N778 K779 E780Q772-R776 WeakPolarHBondContact O-CB 3.39Å; Q772-R776 PolarHBondContact O-N 3.16Å; A773-R776 PolarHBondContact O-N 3.46Å; S774-R776 VanDerWaalsContact C-N 3.27Å; S774-R776 PolarHBondContact O-N 3.4Å; R776-N778 VanDerWaalsContact C-N 3.33Å; R776-N778 PolarHBondContact O-N 3.05Å; R776-K779 PolarHBondContact O-N 2.97Å; R776-E780 IonicContact CZ-OE1 3.35Å; R776-E780 IonicContact NE-OE1 2.75Å; R776-E780 PolarHBondContact NE-OE1 3.21Å; R776-E780 IonicContact NH2-OE1 3.03Å; R776-E780 PolarHBondContact NH2-OE1 2.85Å; R776-E780 WeakPolarHBondContact O-CG 3.39Å; R776-E780 PolarHBondContact O-N 2.92Å
777R94.4Very high92.2Very high174 Ų174107.3 Ų107.366%0.65754%0.54SS*.Hα-helixtrans-58.3-44.3177.1173.1175.5-81.3144.5-7.3111.4A773 S774 K779 E780 T781A773-R777 PolarHBondContact O-N 2.97Å; S774-R777 PolarHBondContact O-N 2.89Å; R777-K779 VanDerWaalsContact C-N 3.32Å; R777-K779 PolarHBondContact O-N 3.25Å; R777-E780 PolarHBondContact O-N 3.08Å; R777-E780 VanDerWaalsContact O-N 3.15Å; R777-T781 HydrophobicContact CG-CG2 4.5Å; R777-T781 PolarHBondContact O-N 3.38Å; R777-T781 PolarHBondContact O-OG1 3.45Å
778N93.3Very high93.5Very high95 Ų95108.4 Ų108.451%0.50855%0.545SS..Hα-helixtrans-67-32.1179.3-72.3-7.1000112.5S774 I775 R776 T781 N782S774-N778 WeakPolarHBondContact O-CB 3.47Å; S774-N778 PolarHBondContact O-N 3.36Å; I775-N778 PolarHBondContact O-N 3.04Å; R776-N778 VanDerWaalsContact C-N 3.33Å; R776-N778 PolarHBondContact O-N 3.05Å; N778-T781 WeakPolarHBondContact CA-OG1 3.44Å; N778-T781 PolarHBondContact O-OG1 3.16Å; N778-T781 VanDerWaalsContact O-OG1 3.1Å; N778-N782 WeakPolarHBondContact O-CB 3.47Å; N778-N782 PolarHBondContact O-N 3.39Å
779K96.2Very high94.1Very high154 Ų154105.6 Ų105.667%0.6754%0.537SS*.Hα-helixtrans-68.9-39.1170.4-174.6171.3-178.2172.30112I775 R776 R777 T783I775-K779 WeakPolarHBondContact O-CB 3.33Å; I775-K779 PolarHBondContact O-N 2.86Å; R776-K779 PolarHBondContact O-N 2.97Å; R777-K779 VanDerWaalsContact C-N 3.32Å; R777-K779 PolarHBondContact O-N 3.25Å; K779-T783 WeakPolarHBondContact O-CB 3.32Å; K779-T783 PolarHBondContact O-N 2.94Å; K779-T783 PolarHBondContact O-OG1 2.89Å
780E95.2Very high94.7Very high95 Ų95101.7 Ų101.744%0.44453%0.53SS..Hα-helixtrans-66.5-43.7176.4-71.6167.6176.900111.2R776 R777 T783 V784R776-E780 IonicContact CZ-OE1 3.35Å; R776-E780 IonicContact NE-OE1 2.75Å; R776-E780 PolarHBondContact NE-OE1 3.21Å; R776-E780 IonicContact NH2-OE1 3.03Å; R776-E780 PolarHBondContact NH2-OE1 2.85Å; R776-E780 WeakPolarHBondContact O-CG 3.39Å; R776-E780 PolarHBondContact O-N 2.92Å; R777-E780 PolarHBondContact O-N 3.08Å; R777-E780 VanDerWaalsContact O-N 3.15Å; E780-T783 WeakPolarHBondContact O-CB 3.3Å; E780-T783 PolarHBondContact O-N 2.89Å; E780-V784 WeakPolarHBondContact O-CG2 3.34Å; E780-V784 PolarHBondContact O-N 3.48Å; E780-V784 VanDerWaalsContact O-N 3.15Å
781T94.6Very high95.3Very high71 Ų71103.7 Ų103.744%0.43653%0.528SS..Hα-helixtrans-67.5-42.1174.556.70000112.7R777 N778 T783 V784 L785R777-T781 HydrophobicContact CG-CG2 4.5Å; R777-T781 PolarHBondContact O-N 3.38Å; R777-T781 PolarHBondContact O-OG1 3.45Å; N778-T781 WeakPolarHBondContact CA-OG1 3.44Å; N778-T781 PolarHBondContact O-OG1 3.16Å; N778-T781 VanDerWaalsContact O-OG1 3.1Å; T781-T783 VanDerWaalsContact C-N 3.27Å; T781-T783 PolarHBondContact O-N 3.13Å; T781-V784 WeakPolarHBondContact O-CB 3.33Å; T781-V784 PolarHBondContact O-N 2.9Å; T781-L785 WeakPolarHBondContact O-CG 3.37Å; T781-L785 PolarHBondContact O-N 3.32Å
782N95.1Very high95.6Very high107 Ų107104.1 Ų104.157%0.57253%0.531SS*.Hα-helixtrans-61.9-36.3175.5-169.5-79.8000111.6N778 V784 L785 A786N778-N782 WeakPolarHBondContact O-CB 3.47Å; N778-N782 PolarHBondContact O-N 3.39Å; N782-V784 VanDerWaalsContact C-N 3.33Å; N782-V784 PolarHBondContact O-N 3.41Å; N782-L785 PolarHBondContact O-N 2.82Å; N782-A786 WeakPolarHBondContact O-CB 3.37Å; N782-A786 PolarHBondContact O-N 2.74Å
783T97.8Very high95.8Very high61 Ų61103.1 Ų103.137%0.37453%0.526SS..Hα-helixtrans-63.8-35.8172.2-560000112.4K779 E780 T781 R787K779-T783 WeakPolarHBondContact O-CB 3.32Å; K779-T783 PolarHBondContact O-N 2.94Å; K779-T783 PolarHBondContact O-OG1 2.89Å; E780-T783 WeakPolarHBondContact O-CB 3.3Å; E780-T783 PolarHBondContact O-N 2.89Å; T781-T783 VanDerWaalsContact C-N 3.27Å; T781-T783 PolarHBondContact O-N 3.13Å; T783-R787 WeakPolarHBondContact O-CG 3.25Å; T783-R787 PolarHBondContact O-N 3.34Å
784V97.1Very high96.1Very high75 Ų75104.4 Ų104.446%0.45552%0.522SS..Hα-helixtrans-70.5-44.8174.31730000111E780 T781 N782 A786 R787 L788E780-V784 WeakPolarHBondContact O-CG2 3.34Å; E780-V784 PolarHBondContact O-N 3.48Å; E780-V784 VanDerWaalsContact O-N 3.15Å; T781-V784 WeakPolarHBondContact O-CB 3.33Å; T781-V784 PolarHBondContact O-N 2.9Å; N782-V784 VanDerWaalsContact C-N 3.33Å; N782-V784 PolarHBondContact O-N 3.41Å; V784-A786 VanDerWaalsContact C-N 3.32Å; V784-A786 PolarHBondContact O-N 2.94Å; V784-R787 PolarHBondContact O-N 3.42Å; V784-R787 VanDerWaalsContact O-N 3.17Å; V784-L788 HydrophobicContact CG1-CD1 3.92Å; V784-L788 HydrophobicContact CG1-CG 4.33Å; V784-L788 WeakPolarHBondContact O-CG 3.45Å; V784-L788 PolarHBondContact O-N 3.46Å
785L96Very high96.4Very high110 Ų110106.5 Ų106.558%0.57653%0.525SS*.Hα-helixtrans-59.6-41.2176.1-70.2171.5000112.1T781 N782 R787 L788 N789T781-L785 WeakPolarHBondContact O-CG 3.37Å; T781-L785 PolarHBondContact O-N 3.32Å; N782-L785 PolarHBondContact O-N 2.82Å; L785-R787 VanDerWaalsContact C-N 3.35Å; L785-R787 PolarHBondContact O-N 3.17Å; L785-L788 PolarHBondContact O-N 2.94Å; L785-N789 WeakPolarHBondContact O-CB 3.44Å; L785-N789 PolarHBondContact O-N 3.34Å
786A96.3Very high96.5Very high53 Ų53106 Ų10644%0.43852%0.523SS..Hα-helixtrans-59.5-43.9174.900000112.1N782 V784 N789 S790N782-A786 WeakPolarHBondContact O-CB 3.37Å; N782-A786 PolarHBondContact O-N 2.74Å; V784-A786 VanDerWaalsContact C-N 3.32Å; V784-A786 PolarHBondContact O-N 2.94Å; A786-N789 PolarHBondContact O-N 3.46Å; A786-S790 PolarHBondContact O-N 2.86Å; A786-S790 PolarHBondContact O-OG 3.26Å
787R97.6Very high96.6Very high177 Ų177102.9 Ų102.967%0.66851%0.514SS*.Hα-helixtrans-64.8-44.4175.4-69.6175.3-172.51712.6112.4T783 V784 L785 N789 S790 E791T783-R787 WeakPolarHBondContact O-CG 3.25Å; T783-R787 PolarHBondContact O-N 3.34Å; V784-R787 PolarHBondContact O-N 3.42Å; V784-R787 VanDerWaalsContact O-N 3.17Å; L785-R787 VanDerWaalsContact C-N 3.35Å; L785-R787 PolarHBondContact O-N 3.17Å; R787-N789 VanDerWaalsContact C-N 3.28Å; R787-N789 PolarHBondContact O-N 2.93Å; R787-S790 PolarHBondContact O-N 3.45Å; R787-E791 WeakPolarHBondContact O-CB 3.49Å; R787-E791 PolarHBondContact O-N 2.89Å
788L97.8Very high96.7Very high105 Ų10598.1 Ų98.155%0.5550%0.501SS..Hα-helixtrans-64-34.1178-69.7172.3000112V784 L785 L792V784-L788 HydrophobicContact CG1-CD1 3.92Å; V784-L788 HydrophobicContact CG1-CG 4.33Å; V784-L788 WeakPolarHBondContact O-CG 3.45Å; V784-L788 PolarHBondContact O-N 3.46Å; L785-L788 PolarHBondContact O-N 2.94Å; L788-L792 VanDerWaalsContact O-CB 3.32Å; L788-L792 WeakPolarHBondContact O-CB 3.47Å; L788-L792 PolarHBondContact O-N 3.5Å
789N95.8Very high96.9Very high90 Ų9098.8 Ų98.848%0.48150%0.504SS..Hα-helixtrans-68.4-44.6173.7-163.4-17.2000111.1L785 A786 R787 E791 L792 Q793L785-N789 WeakPolarHBondContact O-CB 3.44Å; L785-N789 PolarHBondContact O-N 3.34Å; A786-N789 PolarHBondContact O-N 3.46Å; R787-N789 VanDerWaalsContact C-N 3.28Å; R787-N789 PolarHBondContact O-N 2.93Å; N789-E791 VanDerWaalsContact C-N 3.35Å; N789-E791 PolarHBondContact O-N 2.89Å; N789-L792 PolarHBondContact O-N 2.77Å; N789-Q793 WeakPolarHBondContact O-CB 3.22Å; N789-Q793 VanDerWaalsContact O-CG 3.24Å; N789-Q793 WeakPolarHBondContact O-CG 3.43Å; N789-Q793 PolarHBondContact O-N 3.2Å; N789-Q793 PolarHBondContact OD1-NE2 2.84Å
790S97.8Very high97Very high75 Ų7595.7 Ų95.752%0.52450%0.495SS..Hα-helixtrans-61.3-39.7172.7-60.70000113.2A786 R787 Q793 Q794A786-S790 PolarHBondContact O-N 2.86Å; A786-S790 PolarHBondContact O-OG 3.26Å; R787-S790 PolarHBondContact O-N 3.45Å; S790-Q793 PolarHBondContact O-N 3.18Å; S790-Q794 WeakPolarHBondContact O-CB 3.42Å; S790-Q794 PolarHBondContact O-N 3.21Å
791E97.1Very high97Very high106 Ų10696.3 Ų96.350%0.49550%0.498SS..Hα-helixtrans-63.4-45.6175.4-176.366.1-147.800111.4R787 N789 Q793 Q794 Q795R787-E791 WeakPolarHBondContact O-CB 3.49Å; R787-E791 PolarHBondContact O-N 2.89Å; N789-E791 VanDerWaalsContact C-N 3.35Å; N789-E791 PolarHBondContact O-N 2.89Å; E791-Q793 PolarHBondContact O-N 3.33Å; E791-Q794 WeakPolarHBondContact O-CB 3.34Å; E791-Q794 PolarHBondContact O-N 3.1Å; E791-Q795 WeakPolarHBondContact O-CG 3.42Å; E791-Q795 PolarHBondContact O-N 3.02Å; E791-Q795 PolarHBondContact OE1-NE2 3.44Å
792L97.6Very high97.1Very high111 Ų11198.2 Ų98.258%0.58150%0.502SS*.Hα-helixtrans-66.2-37.6177.2-170.9149000112.1L788 N789 Q794 Q795 L796L788-L792 VanDerWaalsContact O-CB 3.32Å; L788-L792 WeakPolarHBondContact O-CB 3.47Å; L788-L792 PolarHBondContact O-N 3.5Å; N789-L792 PolarHBondContact O-N 2.77Å; L792-Q794 VanDerWaalsContact C-N 3.35Å; L792-Q795 PolarHBondContact O-N 2.75Å; L792-L796 WeakPolarHBondContact O-CB 3.37Å; L792-L796 PolarHBondContact O-N 3.06Å
793Q97.4Very high97.2Very high113 Ų11399.1 Ų99.153%0.52850%0.497SS..Hα-helixtrans-65-37.4172.4-72.717320.900112.1N789 S790 E791 K797N789-Q793 WeakPolarHBondContact O-CB 3.22Å; N789-Q793 VanDerWaalsContact O-CG 3.24Å; N789-Q793 WeakPolarHBondContact O-CG 3.43Å; N789-Q793 PolarHBondContact O-N 3.2Å; N789-Q793 PolarHBondContact OD1-NE2 2.84Å; S790-Q793 PolarHBondContact O-N 3.18Å; E791-Q793 PolarHBondContact O-N 3.33Å; Q793-K797 WeakPolarHBondContact O-CB 3.24Å; Q793-K797 PolarHBondContact O-N 2.95Å
794Q98.1Very high97.1Very high86 Ų86100.5 Ų100.540%0.40250%0.501SS..Hα-helixtrans-66.9-46.7174.6-176.159.152.300111S790 E791 L792 L796 K797 D798S790-Q794 WeakPolarHBondContact O-CB 3.42Å; S790-Q794 PolarHBondContact O-N 3.21Å; E791-Q794 WeakPolarHBondContact O-CB 3.34Å; E791-Q794 PolarHBondContact O-N 3.1Å; L792-Q794 VanDerWaalsContact C-N 3.35Å; Q794-L796 VanDerWaalsContact C-N 3.32Å; Q794-L796 PolarHBondContact O-N 3.2Å; Q794-K797 WeakPolarHBondContact O-CA 3.38Å; Q794-K797 WeakPolarHBondContact O-CB 3.4Å; Q794-K797 PolarHBondContact O-N 3.42Å; Q794-K797 VanDerWaalsContact O-N 3.08Å; Q794-D798 PolarHBondContact NE2-OD1 3.15Å; Q794-D798 PolarHBondContact NE2-OD2 3.38Å; Q794-D798 PolarHBondContact O-N 3.47Å
795Q97.9Very high97Very high103 Ų10399.7 Ų99.748%0.48150%0.499SS..Hα-helixtrans-61.1-39.1175.8-69.8173.613.900112.4E791 L792 D798 L799E791-Q795 WeakPolarHBondContact O-CG 3.42Å; E791-Q795 PolarHBondContact O-N 3.02Å; E791-Q795 PolarHBondContact OE1-NE2 3.44Å; L792-Q795 PolarHBondContact O-N 2.75Å; Q795-D798 PolarHBondContact O-N 3.15Å; Q795-L799 WeakPolarHBondContact O-CB 3.36Å; Q795-L799 WeakPolarHBondContact O-CG 3.47Å; Q795-L799 PolarHBondContact O-N 3.33Å
796L97.3Very high96.9Very high99 Ų9998.7 Ų98.752%0.51849%0.494SS..Hα-helixtrans-63.5-41.2172.5178.561.7000112L792 Q794 L800L792-L796 WeakPolarHBondContact O-CB 3.37Å; L792-L796 PolarHBondContact O-N 3.06Å; Q794-L796 VanDerWaalsContact C-N 3.32Å; Q794-L796 PolarHBondContact O-N 3.2Å; L796-L800 HydrophobicContact CD1-CD1 4.3Å; L796-L800 HydrophobicContact CD1-CG 4.49Å; L796-L800 HydrophobicContact CG-CD1 4.2Å; L796-L800 WeakPolarHBondContact O-CB 3.47Å; L796-L800 VanDerWaalsContact O-CG 3.25Å; L796-L800 WeakPolarHBondContact O-CG 3.45Å; L796-L800 PolarHBondContact O-N 2.95Å
797K97.5Very high96.7Very high101 Ų101100.3 Ų100.344%0.43949%0.492SS..Hα-helixtrans-62.3-45.8174.6-176.3-169167.3-69.30111.2Q793 Q794 L800 E801Q793-K797 WeakPolarHBondContact O-CB 3.24Å; Q793-K797 PolarHBondContact O-N 2.95Å; Q794-K797 WeakPolarHBondContact O-CA 3.38Å; Q794-K797 WeakPolarHBondContact O-CB 3.4Å; Q794-K797 PolarHBondContact O-N 3.42Å; Q794-K797 VanDerWaalsContact O-N 3.08Å; K797-L800 PolarHBondContact O-N 3.05Å; K797-E801 IonicContact NZ-OE2 2.75Å; K797-E801 PolarHBondContact NZ-OE2 3.24Å; K797-E801 PolarHBondContact O-N 2.98Å
798D97.1Very high96.5Very high73 Ų7395.6 Ų95.639%0.3948%0.483SS..Hα-helixtrans-68.1-40-176.1-64-25.5000111.3Q794 Q795 L800 E801 E802Q794-D798 PolarHBondContact NE2-OD1 3.15Å; Q794-D798 PolarHBondContact NE2-OD2 3.38Å; Q794-D798 PolarHBondContact O-N 3.47Å; Q795-D798 PolarHBondContact O-N 3.15Å; D798-L800 VanDerWaalsContact C-N 3.34Å; D798-L800 PolarHBondContact O-N 3.31Å; D798-E801 PolarHBondContact O-N 2.9Å; D798-E802 WeakPolarHBondContact O-CB 3.48Å; D798-E802 PolarHBondContact O-N 2.85Å
799L97.6Very high96.1Very high109 Ų10995.7 Ų95.757%0.57148%0.481SS*.Hα-helixtrans-65-34.2171.4-73.3170.7000112.9Q795 R803Q795-L799 WeakPolarHBondContact O-CB 3.36Å; Q795-L799 WeakPolarHBondContact O-CG 3.47Å; Q795-L799 PolarHBondContact O-N 3.33Å; L799-R803 WeakPolarHBondContact O-CB 3.49Å; L799-R803 PolarHBondContact O-N 3.45Å
800L97.4Very high95.7Very high90 Ų9096.9 Ų96.947%0.47149%0.486SS..Hα-helixtrans-69.4-37.8172.9-75.5167.9000111.7L796 K797 D798 R803 I804L796-L800 HydrophobicContact CD1-CD1 4.3Å; L796-L800 HydrophobicContact CD1-CG 4.49Å; L796-L800 HydrophobicContact CG-CD1 4.2Å; L796-L800 WeakPolarHBondContact O-CB 3.47Å; L796-L800 VanDerWaalsContact O-CG 3.25Å; L796-L800 WeakPolarHBondContact O-CG 3.45Å; L796-L800 PolarHBondContact O-N 2.95Å; K797-L800 PolarHBondContact O-N 3.05Å; D798-L800 VanDerWaalsContact C-N 3.34Å; D798-L800 PolarHBondContact O-N 3.31Å; L800-R803 PolarHBondContact O-N 3.37Å; L800-I804 WeakPolarHBondContact O-CB 3.5Å; L800-I804 WeakPolarHBondContact O-CD1 3.3Å; L800-I804 WeakPolarHBondContact O-CG1 3.48Å; L800-I804 PolarHBondContact O-N 2.96Å
801E96.3Very high95.2Very high107 Ų10798.7 Ų98.750%0.549%0.487SS..Hα-helixtrans-69.2-39.2176.3-163.5166.1152.300111.7K797 D798 S805K797-E801 IonicContact NZ-OE2 2.75Å; K797-E801 PolarHBondContact NZ-OE2 3.24Å; K797-E801 PolarHBondContact O-N 2.98Å; D798-E801 PolarHBondContact O-N 2.9Å; E801-S805 WeakPolarHBondContact O-CB 3.47Å; E801-S805 PolarHBondContact O-N 3.2Å; E801-S805 PolarHBondContact O-OG 3.36Å
802E96.4Very high94.3Very high111 Ų111100.7 Ų100.752%0.51950%0.496SS..Hα-helixtrans-61.8-50.2169.2-176.8179.1-173.300111.1D798 I804 S805 L806D798-E802 WeakPolarHBondContact O-CB 3.48Å; D798-E802 PolarHBondContact O-N 2.85Å; E802-I804 VanDerWaalsContact C-N 3.33Å; E802-I804 PolarHBondContact O-N 2.79Å; E802-S805 CarbonylContact O-C 3.58Å; E802-S805 WeakPolarHBondContact O-CA 3.44Å; E802-S805 WeakPolarHBondContact O-CB 3.41Å; E802-S805 PolarHBondContact O-N 3.03Å; E802-L806 HydrophobicContact CG-CD1 3.97Å; E802-L806 HydrophobicContact CG-CG 4.34Å; E802-L806 WeakPolarHBondContact O-CG 3.4Å; E802-L806 PolarHBondContact O-N 2.85Å
803R96.8Very high93.4Very high126 Ų126102.1 Ų102.148%0.47550%0.503SS..Hα-helixtrans-58.7-41.8178.5176.2-90.6-174-160.3-6.2112.2L799 L800 E807L799-R803 WeakPolarHBondContact O-CB 3.49Å; L799-R803 PolarHBondContact O-N 3.45Å; L800-R803 PolarHBondContact O-N 3.37Å; R803-E807 IonicContact CZ-OE1 2.77Å; R803-E807 IonicContact CZ-OE2 3.19Å; R803-E807 IonicContact NE-OE1 3.65Å; R803-E807 PolarHBondContact NE-OE1 3.21Å; R803-E807 IonicContact NE-OE2 3.85Å; R803-E807 IonicContact NH1-OE1 2.66Å; R803-E807 IonicContact NH1-OE2 3.31Å; R803-E807 PolarHBondContact NH1-OE2 3.12Å; R803-E807 IonicContact NH2-OE1 3.83Å; R803-E807 PolarHBondContact NH2-OE1 3.38Å; R803-E807 IonicContact NH2-OE2 2.68Å; R803-E807 PolarHBondContact NH2-OE2 3.14Å; R803-E807 VanDerWaalsContact NH2-OE2 3.09Å; R803-E807 WeakPolarHBondContact O-CB 3.16Å; R803-E807 WeakPolarHBondContact O-CG 3.49Å; R803-E807 PolarHBondContact O-N 3.41Å
804I96.4Very high92.6Very high90 Ų90103.1 Ų103.146%0.46250%0.502SS..Hα-helixtrans-66.4-40.2174.4-70.3164.2000110.7L800 E802 E807 V808L800-I804 WeakPolarHBondContact O-CB 3.5Å; L800-I804 WeakPolarHBondContact O-CD1 3.3Å; L800-I804 WeakPolarHBondContact O-CG1 3.48Å; L800-I804 PolarHBondContact O-N 2.96Å; E802-I804 VanDerWaalsContact C-N 3.33Å; E802-I804 PolarHBondContact O-N 2.79Å; I804-E807 PolarHBondContact O-N 3.09Å; I804-V808 HydrophobicContact CG2-CG2 4.48Å; I804-V808 WeakPolarHBondContact O-CB 3.44Å; I804-V808 WeakPolarHBondContact O-CG2 3.44Å; I804-V808 PolarHBondContact O-N 3.2Å
805S95.3Very high91.2Very high58 Ų58103.8 Ų103.841%0.40651%0.514SS..Hα-helixtrans-64.1-42177.2-60.60000112.2E801 E802 V808 Q809E801-S805 WeakPolarHBondContact O-CB 3.47Å; E801-S805 PolarHBondContact O-N 3.2Å; E801-S805 PolarHBondContact O-OG 3.36Å; E802-S805 CarbonylContact O-C 3.58Å; E802-S805 WeakPolarHBondContact O-CA 3.44Å; E802-S805 WeakPolarHBondContact O-CB 3.41Å; E802-S805 PolarHBondContact O-N 3.03Å; S805-V808 PolarHBondContact O-N 2.99Å; S805-Q809 WeakPolarHBondContact O-CG 3.44Å; S805-Q809 PolarHBondContact O-N 3.31Å
806L93.4Very high89.3Confident90 Ų90107.8 Ų107.847%0.47153%0.53SS..Hα-helixtrans-67-39.7175-70.1172.8000111.9E802 Q809 L810E802-L806 HydrophobicContact CG-CD1 3.97Å; E802-L806 HydrophobicContact CG-CG 4.34Å; E802-L806 WeakPolarHBondContact O-CG 3.4Å; E802-L806 PolarHBondContact O-N 2.85Å; L806-Q809 PolarHBondContact O-N 2.89Å; L806-L810 WeakPolarHBondContact O-CB 3.42Å; L806-L810 PolarHBondContact O-N 3.41Å
807E91.6Very high87.2Confident87 Ų87108.6 Ų108.641%0.40754%0.544SS..Hα-helixtrans-65.1-40.7172.9-79.3-174.2170.800112.1R803 I804 Q809 L810 E811R803-E807 IonicContact CZ-OE1 2.77Å; R803-E807 IonicContact CZ-OE2 3.19Å; R803-E807 IonicContact NE-OE1 3.65Å; R803-E807 PolarHBondContact NE-OE1 3.21Å; R803-E807 IonicContact NE-OE2 3.85Å; R803-E807 IonicContact NH1-OE1 2.66Å; R803-E807 IonicContact NH1-OE2 3.31Å; R803-E807 PolarHBondContact NH1-OE2 3.12Å; R803-E807 IonicContact NH2-OE1 3.83Å; R803-E807 PolarHBondContact NH2-OE1 3.38Å; R803-E807 IonicContact NH2-OE2 2.68Å; R803-E807 PolarHBondContact NH2-OE2 3.14Å; R803-E807 VanDerWaalsContact NH2-OE2 3.09Å; R803-E807 WeakPolarHBondContact O-CB 3.16Å; R803-E807 WeakPolarHBondContact O-CG 3.49Å; R803-E807 PolarHBondContact O-N 3.41Å; I804-E807 PolarHBondContact O-N 3.09Å; E807-Q809 VanDerWaalsContact C-N 3.29Å; E807-Q809 PolarHBondContact O-N 2.94Å; E807-L810 CarbonylContact O-C 3.59Å; E807-L810 PolarHBondContact O-N 2.94Å; E807-E811 VanDerWaalsContact O-CB 3.3Å; E807-E811 WeakPolarHBondContact O-CB 3.34Å; E807-E811 PolarHBondContact O-N 2.96Å
808V94.4Very high84.9Confident77 Ų77111.5 Ų111.547%0.46756%0.559SS.*Hα-helixtrans-65.6-31.6174.8166.40000112.1I804 S805 Q812I804-V808 HydrophobicContact CG2-CG2 4.48Å; I804-V808 WeakPolarHBondContact O-CB 3.44Å; I804-V808 WeakPolarHBondContact O-CG2 3.44Å; I804-V808 PolarHBondContact O-N 3.2Å; S805-V808 PolarHBondContact O-N 2.99Å; V808-Q812 WeakPolarHBondContact O-CG 3.46Å; V808-Q812 PolarHBondContact O-N 3.4Å; V808-Q812 PolarHBondContact O-NE2 3.09Å
809Q89.5Confident82.2Confident108 Ų108119.5 Ų119.551%0.50560%0.6SS.*Hα-helixtrans-71.2-41.6170.2-72.6174.210.600111.7S805 L806 E807 E811 Q812 L813S805-Q809 WeakPolarHBondContact O-CG 3.44Å; S805-Q809 PolarHBondContact O-N 3.31Å; L806-Q809 PolarHBondContact O-N 2.89Å; E807-Q809 VanDerWaalsContact C-N 3.29Å; E807-Q809 PolarHBondContact O-N 2.94Å; Q809-E811 VanDerWaalsContact C-N 3.34Å; Q809-Q812 PolarHBondContact O-N 2.86Å; Q809-L813 WeakPolarHBondContact O-CB 3.43Å; Q809-L813 VanDerWaalsContact O-CG 3.32Å; Q809-L813 WeakPolarHBondContact O-CG 3.4Å; Q809-L813 PolarHBondContact O-N 3.17Å
810L87.1Confident81.4Confident114 Ų114120.1 Ų120.160%0.59760%0.602SS**Hα-helixtrans-67.1-34.4177.2-170.965000112.2L806 E807 L813 R814L806-L810 WeakPolarHBondContact O-CB 3.42Å; L806-L810 PolarHBondContact O-N 3.41Å; E807-L810 CarbonylContact O-C 3.59Å; E807-L810 PolarHBondContact O-N 2.94Å; L810-L813 PolarHBondContact O-N 3.39Å; L810-R814 WeakPolarHBondContact O-CB 3.39Å; L810-R814 PolarHBondContact O-N 3.03Å
811E86.4Confident80.6Confident114 Ų114121.6 Ų121.653%0.53361%0.609SS.*Hα-helixtrans-65.2-40.3172.6-162.573.2-154.100111.1E807 Q809 R814E807-E811 VanDerWaalsContact O-CB 3.3Å; E807-E811 WeakPolarHBondContact O-CB 3.34Å; E807-E811 PolarHBondContact O-N 2.96Å; Q809-E811 VanDerWaalsContact C-N 3.34Å; E811-R814 IonicContact OE1-CZ 3.63Å; E811-R814 IonicContact OE1-NH1 3.79Å; E811-R814 PolarHBondContact OE1-NH1 2.75Å; E811-R814 IonicContact OE1-NH2 3.62Å; E811-R814 IonicContact OE2-CZ 3.64Å; E811-R814 IonicContact OE2-NH1 2.67Å; E811-R814 PolarHBondContact OE2-NH1 3.03Å; E811-R814 IonicContact OE2-NH2 3.28Å; E811-R814 PolarHBondContact OE2-NH2 2.7Å
812Q79.6Confident79.7Confident148 Ų148122.4 Ų122.469%0.69262%0.615SS**Hα-helixtrans-71.9-30.3174.4-77171.468.600113.6V808 Q809V808-Q812 WeakPolarHBondContact O-CG 3.46Å; V808-Q812 PolarHBondContact O-N 3.4Å; V808-Q812 PolarHBondContact O-NE2 3.09Å; Q809-Q812 PolarHBondContact O-N 2.86Å
813L78.4Confident78.7Confident140 Ų140123.1 Ų123.173%0.73362%0.62SS**Hα-helixtrans-86.5-13.2176.8-70.5172.4000113Q809 L810 P815Q809-L813 WeakPolarHBondContact O-CB 3.43Å; Q809-L813 VanDerWaalsContact O-CG 3.32Å; Q809-L813 WeakPolarHBondContact O-CG 3.4Å; Q809-L813 PolarHBondContact O-N 3.17Å; L810-L813 PolarHBondContact O-N 3.39Å; L813-P815 WeakPolarHBondContact O-CD 3.32Å
814R79.4Confident77.6Confident135 Ų135122.9 Ų122.951%0.50963%0.629SS.*SBendtrans-65.2119.2171.4-165.5-176.6-58.4132.412.3107.7L810 E811 F816L810-R814 WeakPolarHBondContact O-CB 3.39Å; L810-R814 PolarHBondContact O-N 3.03Å; E811-R814 IonicContact OE1-CZ 3.63Å; E811-R814 IonicContact OE1-NH1 3.79Å; E811-R814 PolarHBondContact OE1-NH1 2.75Å; E811-R814 IonicContact OE1-NH2 3.62Å; E811-R814 IonicContact OE2-CZ 3.64Å; E811-R814 IonicContact OE2-NH1 2.67Å; E811-R814 PolarHBondContact OE2-NH1 3.03Å; E811-R814 IonicContact OE2-NH2 3.28Å; E811-R814 PolarHBondContact OE2-NH2 2.7Å; R814-F816 PolarHBondContact O-N 3.35Å
815P69.6Low76.3Confident99 Ų99125.1 Ų125.164%0.64364%0.641SS**  trans-61.3141.7178.826.1-33.9000109.5L813 S817L813-P815 WeakPolarHBondContact O-CD 3.32Å; P815-S817 VanDerWaalsContact C-N 3.29Å; P815-S817 PolarHBondContact O-N 3.4Å
816F58.3Low75Confident187 Ų187129.9 Ų129.982%0.8266%0.657SS**  trans-65.292.4169.2-78.2-88000109R814 H818R814-F816 PolarHBondContact O-N 3.35Å; F816-H818 AromaticContact CD1-CD2 3.98Å; F816-H818 PolarHBondContact O-N 3.13Å
817S52.9Low73.5Confident116 Ų116133 Ų13381%0.81167%0.672SS**  trans-69.960.9165.1-64.60000110.3P815 L819P815-S817 VanDerWaalsContact C-N 3.29Å; P815-S817 PolarHBondContact O-N 3.4Å; S817-L819 PolarHBondContact O-N 3.41Å
818H49.8Very low72Confident163 Ų163136.8 Ų136.876%0.75569%0.694SS**  trans-86.690.6166.7-97.8-56.4000109.2F816F816-H818 AromaticContact CD1-CD2 3.98Å; F816-H818 PolarHBondContact O-N 3.13Å
819L39Very low70Confident241 Ų241142.3 Ų142.3100%1.26271%0.714SS**  trans-1540149-108.6163.2000108.1S817S817-L819 PolarHBondContact O-N 3.41Å

Retrieved 819 of 819 residues in 1631.9 ms (Link to these results)