A0A087XMQ9_POEFO Loading...

FERM domain containing 4B

AlphaFold DB , UniProt , Accession A0A087XMQ9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 986 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
1M38.6Very low81.6Confident217 Ų21767.4 Ų67.4100%1.06936%0.359SS*.  0149.50-66.612370.900108.2D3M1-D3 VanDerWaalsContact CB-OD1 3.25Å; M1-D3 WeakPolarHBondContact CB-OD1 3.25Å
2S50.8Low82.5Confident95 Ų9562.7 Ų62.766%0.66433%0.334SS*.  trans-105.171.4-174.755.80000110.2G4S2-G4 PolarHBondContact O-N 3.35Å
3D70.6Confident83Confident122 Ų12260.1 Ų60.165%0.65232%0.32SS*.  trans-70.4103.9-169.6-54.8-9.4000109.4M1M1-D3 VanDerWaalsContact CB-OD1 3.25Å; M1-D3 WeakPolarHBondContact CB-OD1 3.25Å
4G82.4Confident83.3Confident22 Ų2263.9 Ų63.923%0.22734%0.341CS..PPolyproline II helixtrans-66155.4174.500000111S2 L20 V21S2-G4 PolarHBondContact O-N 3.35Å; G4-L20 WeakPolarHBondContact O-CD1 3.38Å; G4-V21 CarbonylContact C-O 3.53Å; G4-V21 WeakPolarHBondContact CA-O 3.4Å
5K89.6Confident83.8Confident114 Ų11463.9 Ų63.950%0.49633%0.334SS..EExtended strand (participates in β ladder)trans-97.5133.4173.9-70.5-173.2177.9179.80110.1V21 L67 I78K5-V21 PolarHBondContact N-O 3.15Å; K5-V21 PolarHBondContact O-N 3.05Å; K5-L67 HydrophobicContact CB-CD1 4.18Å; K5-L67 HydrophobicContact CB-CD2 4.02Å; K5-L67 HydrophobicContact CD-CD1 4.32Å; K5-L67 HydrophobicContact CD-CD2 4.22Å; K5-L67 HydrophobicContact CG-CD1 4.08Å; K5-L67 HydrophobicContact CG-CD2 4.44Å; K5-I78 HydrophobicContact CB-CD1 3.88Å; K5-I78 HydrophobicContact CD-CD1 3.86Å
6L91.7Very high84.3Confident73 Ų7367.5 Ų67.538%0.38235%0.346SS..EExtended strand (participates in β ladder)trans-63.7135.3169.9-173.263.8000109.1A77 I78L6-A77 HydrophobicContact CB-CB 4.25Å; L6-A77 HydrophobicContact CD2-CB 4.09Å; L6-A77 HydrophobicContact CG-CB 3.95Å; L6-A77 CarbonylContact O-C 3.58Å; L6-A77 VanDerWaalsContact O-CA 3.28Å; L6-A77 WeakPolarHBondContact O-CA 3.21Å; L6-I78 PolarHBondContact O-N 3.34Å
7C93.4Very high84.8Confident0 Ų065 Ų650%033%0.334CS..EExtended strand (participates in β ladder)trans-132.6133.5-178.3-176.10000108.5E18 L19 V21 I78 L80C7-E18 WeakPolarHBondContact O-CA 3.19Å; C7-L19 PolarHBondContact N-O 3.23Å; C7-L19 PolarHBondContact O-N 3.01Å; C7-V21 HydrophobicContact CB-CB 4.47Å; C7-V21 HydrophobicContact CB-CG2 3.54Å; C7-I78 CarbonylContact C-O 3.55Å; C7-I78 WeakPolarHBondContact CA-O 3.41Å; C7-I78 HydrophobicContact CB-CB 4.42Å; C7-I78 PolarHBondContact SG-O 3.35Å; C7-L80 VanDerWaalsContact SG-CD1 3.53Å
8Q95Very high85.2Confident43 Ų4366.7 Ų66.720%0.20134%0.34CS..EExtended strand (participates in β ladder)trans-112.8110.4174.7-175.5177.398.300107.6K16 E18 I78 S79 L80Q8-K16 HydrophobicContact CG-CB 4.24Å; Q8-K16 HydrophobicContact CG-CD 4.29Å; Q8-K16 HydrophobicContact CG-CG 4.41Å; Q8-E18 HydrophobicContact CG-CG 4.22Å; Q8-E18 PolarHBondContact NE2-OE1 2.64Å; Q8-I78 PolarHBondContact N-O 2.99Å; Q8-S79 WeakPolarHBondContact O-CA 3.47Å; Q8-L80 PolarHBondContact O-N 3.41Å
9V96.1Very high85.6Confident0 Ų063.2 Ų63.20%032%0.322CS..EExtended strand (participates in β ladder)trans-92113.6175.2-1680000108.4L11 K16 L17 L19 V34 L48 L80 F82V9-L11 HydrophobicContact CB-CD2 4.44Å; V9-L11 HydrophobicContact CG1-CD2 3.95Å; V9-K16 WeakPolarHBondContact O-CA 3.4Å; V9-L17 HydrophobicContact CB-CB 4.4Å; V9-L17 PolarHBondContact N-O 3.33Å; V9-L17 PolarHBondContact O-N 2.93Å; V9-L19 HydrophobicContact CG2-CD1 4Å; V9-V34 HydrophobicContact CG1-CG1 4.45Å; V9-V34 HydrophobicContact CG1-CG2 4.13Å; V9-V34 HydrophobicContact CG2-CG2 4.24Å; V9-L48 HydrophobicContact CG1-CD2 3.7Å; V9-L80 CarbonylContact C-O 3.55Å; V9-L80 WeakPolarHBondContact CA-O 3.44Å; V9-L80 HydrophobicContact CG1-CB 4.38Å; V9-L80 HydrophobicContact CG2-CB 4.32Å; V9-L80 HydrophobicContact CG2-CD1 4.45Å; V9-F82 HydrophobicContact CG1-CB 4.23Å
10Q95.2Very high85.9Confident50 Ų5062.4 Ų62.423%0.23432%0.318CS..EExtended strand (participates in β ladder)trans-72.6124.9166.9-176.159.760.600108.8D14 R15 L80 F82Q10-D14 PolarHBondContact NE2-O 2.97Å; Q10-R15 PolarHBondContact NE2-O 3.15Å; Q10-R15 VanDerWaalsContact NE2-O 3.15Å; Q10-L80 PolarHBondContact N-O 3.22Å; Q10-F82 PolarHBondContact O-N 3.23Å
11L94.8Very high86.2Confident5 Ų559.4 Ų59.43%0.02630%0.303CS..  trans-98.3164179.1-53.5-176.7000111V9 D13 D14 R15 L17 V34 H37 F38 F82V9-L11 HydrophobicContact CB-CD2 4.44Å; V9-L11 HydrophobicContact CG1-CD2 3.95Å; L11-D13 VanDerWaalsContact C-N 3.28Å; L11-D13 WeakPolarHBondContact CB-OD1 3.4Å; L11-D13 PolarHBondContact O-N 3.04Å; L11-D14 PolarHBondContact O-N 2.91Å; L11-R15 VanDerWaalsContact CB-O 3.31Å; L11-R15 WeakPolarHBondContact CB-O 3.22Å; L11-R15 HydrophobicContact CD1-CB 4.21Å; L11-R15 PolarHBondContact N-O 3.17Å; L11-L17 HydrophobicContact CD1-CB 4.28Å; L11-L17 HydrophobicContact CD2-CB 4.49Å; L11-L17 HydrophobicContact CG-CB 4.46Å; L11-V34 HydrophobicContact CD2-CG1 3.78Å; L11-H37 WeakPolarHBondContact CD1-CE1 3.2Å; L11-H37 WeakPolarHBondContact CD1-ND1 3.25Å; L11-F38 HydrophobicContact CB-CE2 4.27Å; L11-F38 HydrophobicContact CB-CZ 4.01Å; L11-F38 HydrophobicContact CD1-CE2 4.2Å; L11-F38 HydrophobicContact CD1-CZ 4.15Å; L11-F38 HydrophobicContact CD2-CE2 4.28Å; L11-F38 HydrophobicContact CG-CE2 4.5Å; L11-F82 HydrophobicContact CD2-CB 4.2Å
12L92.3Very high88.7Confident11 Ų1151.2 Ų51.26%0.05826%0.262CS..THydrogen-bonded Turntrans-70.8-19.7-176.4-71.9173.7000114D14 F46 F82 L83 L102 L105 N106L12-D14 VanDerWaalsContact C-N 3.27Å; L12-F46 HydrophobicContact CD1-CD1 4.19Å; L12-F46 HydrophobicContact CD1-CE1 3.85Å; L12-F82 HydrophobicContact CD1-CD1 3.93Å; L12-F82 HydrophobicContact CD1-CE1 3.96Å; L12-F82 WeakPolarHBondContact CD2-O 3.31Å; L12-F82 HydrophobicContact CG-CD1 4Å; L12-F82 WeakPolarHBondContact CG-O 3.21Å; L12-L83 HydrophobicContact CD2-CD2 3.98Å; L12-L102 HydrophobicContact CB-CD2 4.06Å; L12-L102 HydrophobicContact CD1-CB 4.03Å; L12-L102 HydrophobicContact CD1-CD2 4.07Å; L12-L105 HydrophobicContact CB-CB 4.17Å; L12-L105 WeakPolarHBondContact O-CB 3.46Å; L12-N106 HydrophobicContact CD1-CB 4.18Å; L12-N106 HydrophobicContact CD2-CB 3.75Å
13D88.3Confident90.6Very high29 Ų2949.2 Ų49.216%0.15525%0.247CC..THydrogen-bonded Turntrans-95.830.2174.962.7-9.6000112.1L11 R15 F38 L105L11-D13 VanDerWaalsContact C-N 3.28Å; L11-D13 WeakPolarHBondContact CB-OD1 3.4Å; L11-D13 PolarHBondContact O-N 3.04Å; D13-R15 PolarHBondContact O-N 2.99Å; D13-R15 WeakPolarHBondContact OD1-CB 3.28Å; D13-R15 IonicContact OD1-NE 3.94Å; D13-R15 IonicContact OD2-CZ 3.63Å; D13-R15 IonicContact OD2-NE 2.63Å; D13-R15 PolarHBondContact OD2-NE 3.41Å; D13-R15 IonicContact OD2-NH2 2.73Å; D13-R15 PolarHBondContact OD2-NH2 2.8Å; D13-F38 HydrophobicContact CB-CE1 4.48Å; D13-F38 WeakPolarHBondContact OD2-CE1 2.96Å; D13-L105 HydrophobicContact CB-CD1 4.07Å
14D87Confident91.6Very high113 Ų11350.1 Ų50.160%0.60425%0.245SC*.SBendtrans58.3-4.6-176.7-61-50.1000115.9Q10 L11 L12Q10-D14 PolarHBondContact NE2-O 2.97Å; L11-D14 PolarHBondContact O-N 2.91Å; L12-D14 VanDerWaalsContact C-N 3.27Å
15R90.8Very high92.1Very high64 Ų6449.6 Ų49.624%0.24224%0.237CC..  trans-67.3154.9175.2-67.3-167.5-76.1163.4-3.3112Q10 L11 D13 H37 L337Q10-R15 PolarHBondContact NE2-O 3.15Å; Q10-R15 VanDerWaalsContact NE2-O 3.15Å; L11-R15 VanDerWaalsContact CB-O 3.31Å; L11-R15 WeakPolarHBondContact CB-O 3.22Å; L11-R15 HydrophobicContact CD1-CB 4.21Å; L11-R15 PolarHBondContact N-O 3.17Å; D13-R15 PolarHBondContact O-N 2.99Å; D13-R15 WeakPolarHBondContact OD1-CB 3.28Å; D13-R15 IonicContact OD1-NE 3.94Å; D13-R15 IonicContact OD2-CZ 3.63Å; D13-R15 IonicContact OD2-NE 2.63Å; D13-R15 PolarHBondContact OD2-NE 3.41Å; D13-R15 IonicContact OD2-NH2 2.73Å; D13-R15 PolarHBondContact OD2-NH2 2.8Å; R15-H37 PolarHBondContact NH1-CE1 2.9Å; R15-H37 VanDerWaalsContact NH1-CE1 3.32Å; R15-H37 PolarHBondContact NH1-NE2 3.02Å; R15-H37 VanDerWaalsContact NH1-NE2 3.13Å; R15-H37 PolarHBondContact NH2-CE1 2.77Å; R15-L337 PolarHBondContact NH1-O 3.12Å
16K92.8Very high92.4Very high122 Ų12246.3 Ų46.353%0.5323%0.225SC..EExtended strand (participates in β ladder)trans-118.6128.6177.6-71.5179165.3-154.90110.2Q8 V9Q8-K16 HydrophobicContact CG-CB 4.24Å; Q8-K16 HydrophobicContact CG-CD 4.29Å; Q8-K16 HydrophobicContact CG-CG 4.41Å; V9-K16 WeakPolarHBondContact O-CA 3.4Å
17L92.5Very high92.5Very high25 Ų2542.9 Ų42.913%0.13121%0.207CC..EExtended strand (participates in β ladder)trans-110117.4178.5-178.864.2000109.5V9 L11 L19 V34 I347V9-L17 HydrophobicContact CB-CB 4.4Å; V9-L17 PolarHBondContact N-O 3.33Å; V9-L17 PolarHBondContact O-N 2.93Å; L11-L17 HydrophobicContact CD1-CB 4.28Å; L11-L17 HydrophobicContact CD2-CB 4.49Å; L11-L17 HydrophobicContact CG-CB 4.46Å; L17-L19 HydrophobicContact CD1-CD2 4.12Å; L17-L19 HydrophobicContact CD2-CD1 4.1Å; L17-L19 HydrophobicContact CD2-CD2 4.13Å; L17-L19 HydrophobicContact CD2-CG 4.35Å; L17-L19 HydrophobicContact CG-CD1 4.25Å; L17-L19 HydrophobicContact CG-CD2 3.8Å; L17-L19 HydrophobicContact CG-CG 3.98Å; L17-V34 HydrophobicContact CD2-CG2 4.25Å; L17-I347 HydrophobicContact CD1-CD1 4.17Å
18E92.8Very high92.5Very high96 Ų9648 Ų4845%0.44923%0.227SC..EExtended strand (participates in β ladder)trans-101.9122.2-178.1-61-163.5155.700111.5C7 Q8C7-E18 WeakPolarHBondContact O-CA 3.19Å; Q8-E18 HydrophobicContact CG-CG 4.22Å; Q8-E18 PolarHBondContact NE2-OE1 2.64Å
19L91.4Very high92.5Very high0 Ų048.6 Ų48.60%023%0.23CC..EExtended strand (participates in β ladder)trans-131.7139.9-168.1-56.7175.9000110.2C7 V9 L17 L30 L33 I347C7-L19 PolarHBondContact N-O 3.23Å; C7-L19 PolarHBondContact O-N 3.01Å; V9-L19 HydrophobicContact CG2-CD1 4Å; L17-L19 HydrophobicContact CD1-CD2 4.12Å; L17-L19 HydrophobicContact CD2-CD1 4.1Å; L17-L19 HydrophobicContact CD2-CD2 4.13Å; L17-L19 HydrophobicContact CD2-CG 4.35Å; L17-L19 HydrophobicContact CG-CD1 4.25Å; L17-L19 HydrophobicContact CG-CD2 3.8Å; L17-L19 HydrophobicContact CG-CG 3.98Å; L19-L30 HydrophobicContact CD1-CD1 3.52Å; L19-L33 HydrophobicContact CD1-CD2 4.05Å; L19-L33 HydrophobicContact CD2-CD2 4.1Å; L19-I347 HydrophobicContact CD2-CB 3.75Å; L19-I347 HydrophobicContact CD2-CD1 4.17Å; L19-I347 HydrophobicContact CD2-CG1 4.46Å; L19-I347 HydrophobicContact CD2-CG2 4.02Å
20L92.4Very high92.5Very high47 Ų4748.6 Ų48.625%0.24623%0.23CC..EExtended strand (participates in β ladder)trans-92100.7167.8-175.365.5000109G4 I347 T348 A349G4-L20 WeakPolarHBondContact O-CD1 3.38Å; L20-I347 PolarHBondContact N-O 3.49Å; L20-T348 HydrophobicContact CD2-CG2 4.38Å; L20-A349 PolarHBondContact O-N 2.83Å
21V91.8Very high92.5Very high0 Ų046.8 Ų46.80%022%0.222CC..EExtended strand (participates in β ladder)trans-80.7121.1-177.5173.60000109.7G4 K5 C7 L25 L30 V66 L67G4-V21 CarbonylContact C-O 3.53Å; G4-V21 WeakPolarHBondContact CA-O 3.4Å; K5-V21 PolarHBondContact N-O 3.15Å; K5-V21 PolarHBondContact O-N 3.05Å; C7-V21 HydrophobicContact CB-CB 4.47Å; C7-V21 HydrophobicContact CB-CG2 3.54Å; V21-L25 HydrophobicContact CG1-CB 4.31Å; V21-L25 HydrophobicContact CG1-CD2 4.04Å; V21-L25 HydrophobicContact CG2-CD2 4.4Å; V21-L30 HydrophobicContact CG2-CD1 4.48Å; V21-L30 HydrophobicContact CG2-CD2 4.39Å; V21-V66 HydrophobicContact CG1-CB 3.82Å; V21-V66 HydrophobicContact CG1-CG1 3.9Å; V21-V66 HydrophobicContact CG1-CG2 4.37Å; V21-L67 HydrophobicContact CB-CD2 4.18Å; V21-L67 HydrophobicContact CG1-CD1 4.46Å; V21-L67 HydrophobicContact CG1-CD2 3.61Å; V21-L67 HydrophobicContact CG1-CG 3.85Å
22Q91.6Very high92.5Very high45 Ų4549.3 Ų49.321%0.2124%0.235CC..  trans-82.1150.8177.8-65.2-164.4-1.500112.4K24 L25 A349Q22-K24 PolarHBondContact O-N 3.46Å; Q22-L25 WeakPolarHBondContact O-CB 3.35Å; Q22-L25 PolarHBondContact O-N 2.8Å; Q22-A349 WeakPolarHBondContact CG-O 3.13Å
23P89.5Confident92.6Very high53 Ų5350.4 Ų50.434%0.34424%0.241SC..THydrogen-bonded Turntrans-64.32.1178.7-22.233.7000116.8R65 L67P23-R65 VanDerWaalsContact O-CD 3.25Å; P23-R65 WeakPolarHBondContact O-CD 3.44Å; P23-R65 PolarHBondContact O-NH1 2.74Å; P23-L67 HydrophobicContact CB-CD1 4.42Å; P23-L67 HydrophobicContact CG-CD1 4.16Å
24K91.9Very high92.8Very high140 Ų14049 Ų4961%0.60923%0.233SC*.THydrogen-bonded Turntrans-107.8-15.3174.2-71.3-173.7177.9-177.70113.7Q22 L26Q22-K24 PolarHBondContact O-N 3.46Å; K24-L26 PolarHBondContact O-N 2.63Å
25L93.6Very high93.1Very high11 Ų1143.8 Ų43.86%0.05821%0.205CC..  trans-66.3125-173.7-16674.5000110.9V21 Q22 E29 L30 R65 V66 A349V21-L25 HydrophobicContact CG1-CB 4.31Å; V21-L25 HydrophobicContact CG1-CD2 4.04Å; V21-L25 HydrophobicContact CG2-CD2 4.4Å; Q22-L25 WeakPolarHBondContact O-CB 3.35Å; Q22-L25 PolarHBondContact O-N 2.8Å; L25-E29 WeakPolarHBondContact CA-OE2 3.44Å; L25-E29 HydrophobicContact CD1-CB 3.74Å; L25-E29 HydrophobicContact CG-CB 4.28Å; L25-L30 HydrophobicContact CD2-CB 3.95Å; L25-L30 HydrophobicContact CD2-CD1 4.04Å; L25-L30 HydrophobicContact CD2-CG 4.44Å; L25-R65 CarbonylContact O-C 3.6Å; L25-R65 VanDerWaalsContact O-CA 3.31Å; L25-R65 WeakPolarHBondContact O-CA 3.38Å; L25-V66 HydrophobicContact CD2-CG2 4.43Å; L25-V66 PolarHBondContact O-N 2.73Å; L25-A349 HydrophobicContact CD1-CB 4.24Å; L25-A349 HydrophobicContact CD2-CB 3.94Å
26L95.1Very high93.2Very high46 Ų4644.4 Ų44.424%0.24122%0.22CC..BIsolated β-bridgetrans-82.4152175.3-66.4164.1000110.4K24 Y28 E29 L30 R65K24-L26 PolarHBondContact O-N 2.63Å; L26-Y28 VanDerWaalsContact C-N 3.27Å; L26-Y28 HydrophobicContact CB-CD1 3.84Å; L26-Y28 HydrophobicContact CB-CE1 3.73Å; L26-Y28 HydrophobicContact CD1-CD1 4.49Å; L26-Y28 HydrophobicContact CD1-CE1 3.62Å; L26-Y28 HydrophobicContact CG-CE1 4.28Å; L26-Y28 PolarHBondContact O-N 2.92Å; L26-E29 HydrophobicContact CB-CG 4.11Å; L26-E29 PolarHBondContact N-OE2 3.42Å; L26-E29 WeakPolarHBondContact O-CB 3.31Å; L26-E29 PolarHBondContact O-N 2.95Å; L26-E29 VanDerWaalsContact O-N 3.09Å; L26-L30 PolarHBondContact O-N 2.72Å; L26-R65 HydrophobicContact CD2-CG 3.81Å
27S94.4Very high93Very high1 Ų141.3 Ų41.31%0.00721%0.207CC..Hα-helixtrans-71.5-24-172.2-51.40000112.7L31 Q61 M62 R64 H69S27-L31 WeakPolarHBondContact O-CB 3.45Å; S27-L31 PolarHBondContact O-N 3.28Å; S27-Q61 WeakPolarHBondContact CB-O 3.32Å; S27-Q61 PolarHBondContact OG-O 2.87Å; S27-M62 PolarHBondContact N-O 2.63Å; S27-R64 PolarHBondContact N-O 3.04Å; S27-R64 PolarHBondContact OG-O 3.29Å; S27-H69 PolarHBondContact OG-CE1 3.29Å
28Y94.3Very high92.8Very high108 Ų10840.7 Ų40.742%0.42420%0.203SC..Hα-helixtrans-68.7-3916881-99.9000112.4L26 L30 L31 D32 M62L26-Y28 VanDerWaalsContact C-N 3.27Å; L26-Y28 HydrophobicContact CB-CD1 3.84Å; L26-Y28 HydrophobicContact CB-CE1 3.73Å; L26-Y28 HydrophobicContact CD1-CD1 4.49Å; L26-Y28 HydrophobicContact CD1-CE1 3.62Å; L26-Y28 HydrophobicContact CG-CE1 4.28Å; L26-Y28 PolarHBondContact O-N 2.92Å; Y28-L30 VanDerWaalsContact C-N 3.27Å; Y28-L30 PolarHBondContact O-N 2.81Å; Y28-L31 PolarHBondContact O-N 2.72Å; Y28-L31 VanDerWaalsContact O-N 3.17Å; Y28-D32 WeakPolarHBondContact O-CB 3.43Å; Y28-D32 PolarHBondContact O-N 3.26Å; Y28-M62 WeakPolarHBondContact CD1-O 3.21Å; Y28-M62 PolarHBondContact N-O 2.84Å
29E94.9Very high92.6Very high55 Ų5542 Ų4226%0.25721%0.213SC..Hα-helixtrans-62.9-38.3177.5-61.8175.812600110.6L25 L26 L33L25-E29 WeakPolarHBondContact CA-OE2 3.44Å; L25-E29 HydrophobicContact CD1-CB 3.74Å; L25-E29 HydrophobicContact CG-CB 4.28Å; L26-E29 HydrophobicContact CB-CG 4.11Å; L26-E29 PolarHBondContact N-OE2 3.42Å; L26-E29 WeakPolarHBondContact O-CB 3.31Å; L26-E29 PolarHBondContact O-N 2.95Å; L26-E29 VanDerWaalsContact O-N 3.09Å; E29-L33 WeakPolarHBondContact O-CB 3.48Å; E29-L33 PolarHBondContact O-N 2.92Å
30L95.3Very high92.7Very high0 Ų042.8 Ų42.80%022%0.217CC..Hα-helixtrans-70-38.5174.1-173.560.4000112.5L19 V21 L25 L26 Y28 D32 V34 L48 V66 L80L19-L30 HydrophobicContact CD1-CD1 3.52Å; V21-L30 HydrophobicContact CG2-CD1 4.48Å; V21-L30 HydrophobicContact CG2-CD2 4.39Å; L25-L30 HydrophobicContact CD2-CB 3.95Å; L25-L30 HydrophobicContact CD2-CD1 4.04Å; L25-L30 HydrophobicContact CD2-CG 4.44Å; L26-L30 PolarHBondContact O-N 2.72Å; Y28-L30 VanDerWaalsContact C-N 3.27Å; Y28-L30 PolarHBondContact O-N 2.81Å; L30-D32 VanDerWaalsContact C-N 3.34Å; L30-V34 VanDerWaalsContact O-CG2 3.3Å; L30-V34 WeakPolarHBondContact O-CG2 3.44Å; L30-V34 PolarHBondContact O-N 2.83Å; L30-L48 HydrophobicContact CB-CD1 4.08Å; L30-L48 HydrophobicContact CD2-CD1 3.8Å; L30-L48 HydrophobicContact CG-CD1 3.61Å; L30-V66 HydrophobicContact CB-CG2 3.97Å; L30-V66 HydrophobicContact CD2-CB 4.42Å; L30-V66 HydrophobicContact CD2-CG1 3.86Å; L30-V66 HydrophobicContact CD2-CG2 3.66Å; L30-V66 HydrophobicContact CG-CG2 4.46Å; L30-L80 HydrophobicContact CD2-CD1 3.66Å
31L95.4Very high92.6Very high12 Ų1247.4 Ų47.46%0.06324%0.236CC..Hα-helixtrans-63.9-40.6173.9-178.265.4000111.4S27 Y28 V34 S35 L48 M62 F82S27-L31 WeakPolarHBondContact O-CB 3.45Å; S27-L31 PolarHBondContact O-N 3.28Å; Y28-L31 PolarHBondContact O-N 2.72Å; Y28-L31 VanDerWaalsContact O-N 3.17Å; L31-V34 PolarHBondContact O-N 2.88Å; L31-S35 VanDerWaalsContact O-CB 3.29Å; L31-S35 WeakPolarHBondContact O-CB 3.31Å; L31-S35 PolarHBondContact O-N 2.87Å; L31-S35 PolarHBondContact O-OG 3.3Å; L31-L48 HydrophobicContact CB-CD1 4.46Å; L31-L48 HydrophobicContact CD1-CG 4.35Å; L31-M62 HydrophobicContact CD2-CE 3.74Å; L31-M62 HydrophobicContact CD2-SD 3.91Å; L31-F82 HydrophobicContact CD1-CD2 4.1Å; L31-F82 HydrophobicContact CD1-CE2 3.78Å
32D94.6Very high92.7Very high58 Ų5848.1 Ų48.131%0.3124%0.239SC..Hα-helixtrans-65.7-43.2178.6-78.815.2000111.2Y28 L30 V34 S35 S36 K43Y28-D32 WeakPolarHBondContact O-CB 3.43Å; Y28-D32 PolarHBondContact O-N 3.26Å; L30-D32 VanDerWaalsContact C-N 3.34Å; D32-V34 PolarHBondContact O-N 3.32Å; D32-S35 PolarHBondContact O-N 2.95Å; D32-S36 WeakPolarHBondContact O-CB 3.33Å; D32-S36 PolarHBondContact O-N 3.22Å; D32-K43 VanDerWaalsContact OD1-CD 3.29Å; D32-K43 WeakPolarHBondContact OD1-CD 3.49Å; D32-K43 WeakPolarHBondContact OD1-CE 3.1Å; D32-K43 IonicContact OD1-NZ 2.86Å; D32-K43 PolarHBondContact OD1-NZ 3.06Å; D32-K43 IonicContact OD2-NZ 3.26Å; D32-K43 PolarHBondContact OD2-NZ 2.95Å
33L93.6Very high92.8Very high33 Ų3349.8 Ų49.817%0.17325%0.245CC..Hα-helixtrans-58.4-47.2173.3-179.361.3000111.6L19 E29 S36 A349L19-L33 HydrophobicContact CD1-CD2 4.05Å; L19-L33 HydrophobicContact CD2-CD2 4.1Å; E29-L33 WeakPolarHBondContact O-CB 3.48Å; E29-L33 PolarHBondContact O-N 2.92Å; L33-S36 PolarHBondContact O-N 3.38Å; L33-S36 PolarHBondContact O-OG 2.92Å; L33-A349 HydrophobicContact CD2-CB 4.29Å
34V94.2Very high92.9Very high0 Ų051.4 Ų51.40%025%0.248CC..Hα-helixtrans-66.7-36.9177.1173.80000111.9V9 L11 L17 L30 L31 D32 H37 L48 F82V9-V34 HydrophobicContact CG1-CG1 4.45Å; V9-V34 HydrophobicContact CG1-CG2 4.13Å; V9-V34 HydrophobicContact CG2-CG2 4.24Å; L11-V34 HydrophobicContact CD2-CG1 3.78Å; L17-V34 HydrophobicContact CD2-CG2 4.25Å; L30-V34 VanDerWaalsContact O-CG2 3.3Å; L30-V34 WeakPolarHBondContact O-CG2 3.44Å; L30-V34 PolarHBondContact O-N 2.83Å; L31-V34 PolarHBondContact O-N 2.88Å; D32-V34 PolarHBondContact O-N 3.32Å; V34-H37 PolarHBondContact O-N 3.35Å; V34-L48 HydrophobicContact CG2-CD2 4.33Å; V34-F82 HydrophobicContact CG1-CB 3.98Å; V34-F82 HydrophobicContact CG1-CD1 4.33Å; V34-F82 HydrophobicContact CG1-CD2 3.5Å; V34-F82 HydrophobicContact CG1-CE2 4Å; V34-F82 HydrophobicContact CG1-CG 3.69Å
35S93.4Very high93.1Very high3 Ų344.7 Ų44.72%0.02122%0.219CC..Hα-helixtrans-68.2-35.2177.1-59.60000112L31 D32 H37 F38 N39 L40L31-S35 VanDerWaalsContact O-CB 3.29Å; L31-S35 WeakPolarHBondContact O-CB 3.31Å; L31-S35 PolarHBondContact O-N 2.87Å; L31-S35 PolarHBondContact O-OG 3.3Å; D32-S35 PolarHBondContact O-N 2.95Å; S35-H37 VanDerWaalsContact C-N 3.27Å; S35-H37 PolarHBondContact O-N 3.36Å; S35-F38 PolarHBondContact O-N 2.72Å; S35-F38 VanDerWaalsContact O-N 3.1Å; S35-N39 PolarHBondContact O-N 3.37Å; S35-L40 PolarHBondContact O-N 3.2Å; S35-L40 VanDerWaalsContact O-N 3.08Å
36S91.1Very high93.2Very high78 Ų7844.2 Ų44.255%0.54522%0.217SC..Hα-helixtrans-63.5-31.3178.775.40000113.2D32 L33 F38 N39D32-S36 WeakPolarHBondContact O-CB 3.33Å; D32-S36 PolarHBondContact O-N 3.22Å; L33-S36 PolarHBondContact O-N 3.38Å; L33-S36 PolarHBondContact O-OG 2.92Å; S36-F38 PolarHBondContact O-N 2.86Å; S36-N39 PolarHBondContact O-N 3.11Å
37H88.7Confident93.3Very high57 Ų5742 Ų4226%0.26421%0.205SC..THydrogen-bonded Turntrans-64.6-21.5175.1175.6-100.9000113.7L11 R15 V34 S35L11-H37 WeakPolarHBondContact CD1-CE1 3.2Å; L11-H37 WeakPolarHBondContact CD1-ND1 3.25Å; R15-H37 PolarHBondContact NH1-CE1 2.9Å; R15-H37 VanDerWaalsContact NH1-CE1 3.32Å; R15-H37 PolarHBondContact NH1-NE2 3.02Å; R15-H37 VanDerWaalsContact NH1-NE2 3.13Å; R15-H37 PolarHBondContact NH2-CE1 2.77Å; V34-H37 PolarHBondContact O-N 3.35Å; S35-H37 VanDerWaalsContact C-N 3.27Å; S35-H37 PolarHBondContact O-N 3.36Å
38F88.3Confident93.3Very high11 Ų1142.1 Ų42.15%0.04821%0.206CC..THydrogen-bonded Turntrans-101.2-1.4170.9-69.4-70.5000113.3L11 D13 S35 S36 L40 F82 I98 L102L11-F38 HydrophobicContact CB-CE2 4.27Å; L11-F38 HydrophobicContact CB-CZ 4.01Å; L11-F38 HydrophobicContact CD1-CE2 4.2Å; L11-F38 HydrophobicContact CD1-CZ 4.15Å; L11-F38 HydrophobicContact CD2-CE2 4.28Å; L11-F38 HydrophobicContact CG-CE2 4.5Å; D13-F38 HydrophobicContact CB-CE1 4.48Å; D13-F38 WeakPolarHBondContact OD2-CE1 2.96Å; S35-F38 PolarHBondContact O-N 2.72Å; S35-F38 VanDerWaalsContact O-N 3.1Å; S36-F38 PolarHBondContact O-N 2.86Å; F38-L40 HydrophobicContact CB-CB 4.13Å; F38-L40 PolarHBondContact O-N 3.47Å; F38-F82 HydrophobicContact CD2-CE1 4.06Å; F38-F82 HydrophobicContact CE2-CD1 4.07Å; F38-F82 AromaticContact CE2-CE1 3.98Å; F38-F82 HydrophobicContact CE2-CE1 3.98Å; F38-I98 HydrophobicContact CB-CG2 4.29Å; F38-L102 HydrophobicContact CB-CD1 4.21Å; F38-L102 HydrophobicContact CD1-CD1 4.46Å; F38-L102 HydrophobicContact CD1-CD2 3.88Å; F38-L102 HydrophobicContact CD2-CD1 4.43Å; F38-L102 HydrophobicContact CD2-CD2 4.44Å; F38-L102 HydrophobicContact CE1-CD2 3.77Å; F38-L102 HydrophobicContact CE2-CD2 4.34Å; F38-L102 HydrophobicContact CG-CD1 4.12Å; F38-L102 HydrophobicContact CG-CD2 4.22Å; F38-L102 HydrophobicContact CZ-CD2 4.01Å
39N89.8Confident93.4Very high124 Ų12437 Ų3766%0.66319%0.185SC*.THydrogen-bonded Turntrans50.436.2-167.4-162.586.2000112.3S35 S36S35-N39 PolarHBondContact O-N 3.37Å; S36-N39 PolarHBondContact O-N 3.11Å
40L92.1Very high93.3Very high16 Ų1634.7 Ų34.78%0.08418%0.175CC..  trans-75.2125.7-170.7173.563.8000111.9S35 F38 K43 F46 F82 L102S35-L40 PolarHBondContact O-N 3.2Å; S35-L40 VanDerWaalsContact O-N 3.08Å; F38-L40 HydrophobicContact CB-CB 4.13Å; F38-L40 PolarHBondContact O-N 3.47Å; L40-K43 HydrophobicContact CD2-CB 4.42Å; L40-F46 HydrophobicContact CD1-CE2 4.05Å; L40-F46 HydrophobicContact CD2-CD2 3.55Å; L40-F46 HydrophobicContact CD2-CE2 3.63Å; L40-F46 HydrophobicContact CD2-CG 4.21Å; L40-F46 HydrophobicContact CD2-CZ 4.35Å; L40-F46 HydrophobicContact CG-CE2 4.44Å; L40-F82 HydrophobicContact CD2-CZ 3.96Å; L40-L102 HydrophobicContact CD1-CD1 4.18Å; L40-L102 HydrophobicContact CD2-CD1 4.17Å
41K91.5Very high93.1Very high145 Ų14539.8 Ų39.863%0.6320%0.197SC*.SBendtrans-85.9-48179-58.1174.5-165.2148.60112.5K43 D96K41-K43 VanDerWaalsContact C-N 3.26Å; K41-K43 PolarHBondContact O-N 2.88Å; K41-K43 VanDerWaalsContact O-N 3.08Å; K41-D96 HydrophobicContact CD-CB 4.42Å; K41-D96 WeakPolarHBondContact CD-OD1 3.45Å; K41-D96 VanDerWaalsContact CE-OD1 3.28Å; K41-D96 WeakPolarHBondContact CE-OD1 3.43Å; K41-D96 IonicContact NZ-OD1 2.82Å; K41-D96 PolarHBondContact NZ-OD1 2.47Å
42E92.7Very high92.6Very high15 Ų1540.3 Ų40.37%0.0720%0.2CC..  trans-89.758.6-175.2-56.1174.9109.300111.2E44 F45 K95 D96 T99E42-E44 VanDerWaalsContact CA-OE2 3.25Å; E42-E44 WeakPolarHBondContact CA-OE2 3.45Å; E42-E44 PolarHBondContact O-N 3.18Å; E42-F45 HydrophobicContact CB-CD2 3.78Å; E42-F45 HydrophobicContact CB-CE2 3.48Å; E42-F45 VanDerWaalsContact CB-CE2 3.48Å; E42-F45 HydrophobicContact CB-CZ 4.5Å; E42-F45 HydrophobicContact CG-CE2 4.18Å; E42-F45 WeakPolarHBondContact O-CD2 3.32Å; E42-K95 VanDerWaalsContact CD-N 3.33Å; E42-K95 WeakPolarHBondContact OE1-CB 2.98Å; E42-K95 PolarHBondContact OE1-N 3.31Å; E42-K95 PolarHBondContact OE2-N 2.94Å; E42-D96 HydrophobicContact CG-CB 4.47Å; E42-D96 PolarHBondContact OE2-N 2.93Å; E42-T99 HydrophobicContact CB-CG2 4.19Å; E42-T99 VanDerWaalsContact OE2-CB 3.28Å; E42-T99 WeakPolarHBondContact OE2-CB 3.33Å; E42-T99 PolarHBondContact OE2-OG1 3.43Å
43K93.6Very high92.2Very high79 Ų7941.8 Ų41.834%0.34321%0.208SC..G310 helixtrans-65-17.5-176.563.6178.6-178.3176.70113.6D32 L40 K41 F45 F46D32-K43 VanDerWaalsContact OD1-CD 3.29Å; D32-K43 WeakPolarHBondContact OD1-CD 3.49Å; D32-K43 WeakPolarHBondContact OD1-CE 3.1Å; D32-K43 IonicContact OD1-NZ 2.86Å; D32-K43 PolarHBondContact OD1-NZ 3.06Å; D32-K43 IonicContact OD2-NZ 3.26Å; D32-K43 PolarHBondContact OD2-NZ 2.95Å; L40-K43 HydrophobicContact CD2-CB 4.42Å; K41-K43 VanDerWaalsContact C-N 3.26Å; K41-K43 PolarHBondContact O-N 2.88Å; K41-K43 VanDerWaalsContact O-N 3.08Å; K43-F45 PolarHBondContact O-N 3.37Å; K43-F46 PolarHBondContact O-N 2.97Å
44E92.8Very high91.7Very high87 Ų8746.7 Ų46.741%0.40723%0.234SC..G310 helixtrans-67.3-15.3-175.675.7-88.7-153.200114.5E42 F86 F302 R306E42-E44 VanDerWaalsContact CA-OE2 3.25Å; E42-E44 WeakPolarHBondContact CA-OE2 3.45Å; E42-E44 PolarHBondContact O-N 3.18Å; E44-F86 WeakPolarHBondContact O-CD2 3.43Å; E44-F302 HydrophobicContact CG-CE2 4.35Å; E44-R306 IonicContact OE1-CZ 2.71Å; E44-R306 IonicContact OE1-NH2 2.68Å; E44-R306 PolarHBondContact OE1-NH2 3.26Å
45F95.4Very high91.1Very high0 Ų049.1 Ų49.10%026%0.259CS..G310 helixtrans-79.4-21.2175.9-56.1-54.8000113.7E42 K43 R85 F86 L88 L94 T99 F103 F302 R306E42-F45 HydrophobicContact CB-CD2 3.78Å; E42-F45 HydrophobicContact CB-CE2 3.48Å; E42-F45 VanDerWaalsContact CB-CE2 3.48Å; E42-F45 HydrophobicContact CB-CZ 4.5Å; E42-F45 HydrophobicContact CG-CE2 4.18Å; E42-F45 WeakPolarHBondContact O-CD2 3.32Å; K43-F45 PolarHBondContact O-N 3.37Å; F45-R85 PolarHBondContact O-N 3.22Å; F45-F86 PolarHBondContact O-N 3.09Å; F45-L88 HydrophobicContact CD1-CD1 4.48Å; F45-L88 HydrophobicContact CD1-CG 4.38Å; F45-L88 HydrophobicContact CE1-CD1 3.65Å; F45-L88 HydrophobicContact CE1-CD2 3.9Å; F45-L88 HydrophobicContact CE1-CG 3.88Å; F45-L88 HydrophobicContact CZ-CD1 3.71Å; F45-L88 HydrophobicContact CZ-CG 4.44Å; F45-L94 HydrophobicContact CD2-CD2 3.9Å; F45-L94 HydrophobicContact CE1-CD2 4.39Å; F45-L94 HydrophobicContact CE2-CD2 3.39Å; F45-L94 HydrophobicContact CZ-CD2 3.68Å; F45-T99 HydrophobicContact CD2-CG2 3.61Å; F45-T99 HydrophobicContact CE2-CG2 3.83Å; F45-F103 HydrophobicContact CB-CE2 3.69Å; F45-F103 HydrophobicContact CB-CZ 3.88Å; F45-F103 HydrophobicContact CD1-CZ 4.46Å; F45-F103 AromaticContact CD2-CE2 3.98Å; F45-F103 HydrophobicContact CD2-CE2 3.98Å; F45-F103 HydrophobicContact CD2-CZ 4.41Å; F45-F103 AromaticContact CG-CE2 3.93Å; F45-F103 HydrophobicContact CG-CE2 3.93Å; F45-F103 HydrophobicContact CG-CZ 4.02Å; F45-F302 AromaticContact CD1-CE2 3.89Å; F45-F302 HydrophobicContact CD1-CE2 3.89Å; F45-F302 AromaticContact CD1-CZ 3.75Å; F45-F302 HydrophobicContact CD1-CZ 3.75Å; F45-F302 HydrophobicContact CE1-CE2 4.11Å; F45-F302 AromaticContact CE1-CZ 3.83Å; F45-F302 HydrophobicContact CE1-CZ 3.83Å; F45-R306 VanDerWaalsContact CE1-CZ 3.44Å; F45-R306 VanDerWaalsContact CE1-NH2 3.27Å
46F96.6Very high90.7Very high1 Ų151.7 Ų51.70%0.00427%0.271CS..EExtended strand (participates in β ladder)trans-102.2167.9-167.3-60.8-93.2000112L12 L40 K43 F82 L83 V84 T99 L102 F103L12-F46 HydrophobicContact CD1-CD1 4.19Å; L12-F46 HydrophobicContact CD1-CE1 3.85Å; L40-F46 HydrophobicContact CD1-CE2 4.05Å; L40-F46 HydrophobicContact CD2-CD2 3.55Å; L40-F46 HydrophobicContact CD2-CE2 3.63Å; L40-F46 HydrophobicContact CD2-CG 4.21Å; L40-F46 HydrophobicContact CD2-CZ 4.35Å; L40-F46 HydrophobicContact CG-CE2 4.44Å; K43-F46 PolarHBondContact O-N 2.97Å; F46-F82 HydrophobicContact CB-CD2 4.4Å; F46-F82 HydrophobicContact CB-CE2 3.56Å; F46-F82 HydrophobicContact CB-CZ 3.72Å; F46-F82 AromaticContact CD1-CE1 3.84Å; F46-F82 HydrophobicContact CD1-CE1 3.84Å; F46-F82 HydrophobicContact CD1-CE2 4.23Å; F46-F82 AromaticContact CD1-CZ 3.61Å; F46-F82 HydrophobicContact CD1-CZ 3.61Å; F46-F82 HydrophobicContact CD2-CZ 4.38Å; F46-F82 HydrophobicContact CE1-CE1 4.3Å; F46-F82 HydrophobicContact CE1-CZ 4.34Å; F46-F82 HydrophobicContact CG-CE1 4.34Å; F46-F82 HydrophobicContact CG-CE2 4.04Å; F46-F82 AromaticContact CG-CZ 3.64Å; F46-F82 HydrophobicContact CG-CZ 3.64Å; F46-L83 CarbonylContact C-O 3.53Å; F46-L83 WeakPolarHBondContact CA-O 3.25Å; F46-V84 HydrophobicContact CD1-CG2 3.96Å; F46-V84 HydrophobicContact CE1-CG2 3.57Å; F46-V84 HydrophobicContact CZ-CG2 4.28Å; F46-T99 HydrophobicContact CE2-CG2 4.08Å; F46-T99 HydrophobicContact CZ-CG2 4.31Å; F46-L102 HydrophobicContact CE1-CB 3.78Å; F46-L102 HydrophobicContact CE1-CD1 4.31Å; F46-L102 HydrophobicContact CZ-CB 3.71Å; F46-L102 HydrophobicContact CZ-CD1 4.07Å; F46-F103 HydrophobicContact CE1-CD2 4.49Å; F46-F103 HydrophobicContact CE2-CE2 4.3Å; F46-F103 AromaticContact CZ-CD2 3.91Å; F46-F103 HydrophobicContact CZ-CD2 3.91Å; F46-F103 AromaticContact CZ-CE2 4Å; F46-F103 HydrophobicContact CZ-CE2 4Å
47G95.9Very high90.7Very high0 Ų049.6 Ų49.60%026%0.256CS..EExtended strand (participates in β ladder)trans-161169.8171.900000111.9L83G47-L83 PolarHBondContact N-O 3.17Å; G47-L83 PolarHBondContact O-N 3.08Å
48L96.1Very high90.8Very high2 Ų247.9 Ų47.91%0.0125%0.248CC..EExtended strand (participates in β ladder)trans-100.4128.7172.1-65.9167.2000108.8V9 L30 L31 V34 L60 L80 N81 F82V9-L48 HydrophobicContact CG1-CD2 3.7Å; L30-L48 HydrophobicContact CB-CD1 4.08Å; L30-L48 HydrophobicContact CD2-CD1 3.8Å; L30-L48 HydrophobicContact CG-CD1 3.61Å; L31-L48 HydrophobicContact CB-CD1 4.46Å; L31-L48 HydrophobicContact CD1-CG 4.35Å; V34-L48 HydrophobicContact CG2-CD2 4.33Å; L48-L60 HydrophobicContact CB-CD1 3.8Å; L48-L60 HydrophobicContact CB-CG 4.05Å; L48-L60 HydrophobicContact CD1-CD1 4.22Å; L48-L60 PolarHBondContact O-N 3.35Å; L48-L80 HydrophobicContact CB-CD1 4.46Å; L48-L80 HydrophobicContact CD1-CD1 4.4Å; L48-N81 WeakPolarHBondContact CA-O 3.48Å; L48-F82 HydrophobicContact CD2-CB 4.14Å; L48-F82 HydrophobicContact CD2-CD2 4.3Å
49A94.9Very high91.1Very high0 Ų048.5 Ų48.50%025%0.25CC..EExtended strand (participates in β ladder)trans-128.3143.9-179.700000111.9K58 W59 L80 N81 L83A49-K58 CarbonylContact C-O 3.6Å; A49-K58 VanDerWaalsContact CA-O 3.25Å; A49-K58 WeakPolarHBondContact CA-O 3.34Å; A49-W59 HydrophobicContact CB-CD2 3.88Å; A49-W59 HydrophobicContact CB-CE3 3.81Å; A49-W59 HydrophobicContact CB-CG 4.43Å; A49-W59 HydrophobicContact CB-CH2 4.36Å; A49-W59 HydrophobicContact CB-CZ2 4.4Å; A49-W59 HydrophobicContact CB-CZ3 4.05Å; A49-L80 CarbonylContact O-C 3.57Å; A49-N81 PolarHBondContact N-O 3.01Å; A49-N81 PolarHBondContact O-N 3.1Å; A49-N81 PolarHBondContact O-ND2 2.84Å; A49-L83 HydrophobicContact CB-CD1 4.29Å
50F93.4Very high91.3Very high8 Ų842.7 Ų42.74%0.03522%0.218CC..EExtended strand (participates in β ladder)trans-121.2154.2171.668-83.6000110.3K58 L60 H69 D70 F71 L80F50-K58 HydrophobicContact CD1-CB 4.02Å; F50-K58 VanDerWaalsContact CD1-O 3.32Å; F50-K58 WeakPolarHBondContact CD1-O 3.39Å; F50-K58 HydrophobicContact CD2-CB 4.3Å; F50-K58 HydrophobicContact CE1-CB 3.62Å; F50-K58 HydrophobicContact CE2-CB 3.93Å; F50-K58 HydrophobicContact CE2-CD 3.76Å; F50-K58 HydrophobicContact CE2-CG 4.48Å; F50-K58 HydrophobicContact CG-CB 4.36Å; F50-K58 HydrophobicContact CZ-CB 3.58Å; F50-K58 HydrophobicContact CZ-CD 3.75Å; F50-K58 HydrophobicContact CZ-CG 4.31Å; F50-K58 PolarHBondContact N-O 2.68Å; F50-K58 PolarHBondContact O-N 2.71Å; F50-L60 HydrophobicContact CD1-CD2 3.93Å; F50-L60 HydrophobicContact CE1-CD2 3.98Å; F50-H69 HydrophobicContact CE1-CB 4.22Å; F50-H69 HydrophobicContact CZ-CB 4.46Å; F50-D70 WeakPolarHBondContact CE2-O 3.42Å; F50-F71 HydrophobicContact CB-CD1 4.33Å; F50-F71 HydrophobicContact CB-CE1 4.23Å; F50-F71 AromaticContact CD1-CD1 3.92Å; F50-F71 HydrophobicContact CD1-CD1 3.92Å; F50-F71 AromaticContact CD1-CE1 3.57Å; F50-F71 HydrophobicContact CD1-CE1 3.57Å; F50-F71 AromaticContact CD2-CD1 3.79Å; F50-F71 HydrophobicContact CD2-CD1 3.79Å; F50-F71 HydrophobicContact CD2-CE1 4.28Å; F50-F71 HydrophobicContact CE1-CD1 4.06Å; F50-F71 AromaticContact CE1-CE1 3.85Å; F50-F71 HydrophobicContact CE1-CE1 3.85Å; F50-F71 AromaticContact CE2-CD1 3.93Å; F50-F71 HydrophobicContact CE2-CD1 3.93Å; F50-F71 AromaticContact CG-CD1 3.77Å; F50-F71 HydrophobicContact CG-CD1 3.77Å; F50-F71 AromaticContact CG-CE1 3.79Å; F50-F71 HydrophobicContact CG-CE1 3.79Å; F50-F71 HydrophobicContact CZ-CD1 4.05Å; F50-F71 HydrophobicContact CZ-CE1 4.31Å; F50-L80 HydrophobicContact CB-CD2 3.97Å
51F90.4Very high91.3Very high106 Ų10643.4 Ų43.447%0.46522%0.222SC..EExtended strand (participates in β ladder)trans-98.3134170.6-62.5-85.1000108.7Q56 C57F51-Q56 WeakPolarHBondContact CA-O 3.38Å; F51-C57 HydrophobicContact CD1-CB 4.14Å; F51-C57 HydrophobicContact CE1-CB 3.82Å
52D86.4Confident91.2Very high23 Ų2338.8 Ų38.812%0.12320%0.203CC..  trans-83.8179.4173.571.911000112.8N54 G55 Q56 K58D52-N54 PolarHBondContact O-N 2.91Å; D52-N54 VanDerWaalsContact O-N 3.08Å; D52-N54 WeakPolarHBondContact OD1-CA 3.34Å; D52-N54 WeakPolarHBondContact OD1-CB 3.17Å; D52-N54 PolarHBondContact OD1-N 2.93Å; D52-G55 PolarHBondContact O-N 3.17Å; D52-G55 PolarHBondContact OD1-N 2.91Å; D52-Q56 PolarHBondContact N-O 3Å; D52-Q56 VanDerWaalsContact N-O 3.1Å; D52-Q56 WeakPolarHBondContact OD1-CB 3.34Å; D52-Q56 PolarHBondContact OD1-N 3.08Å; D52-K58 HydrophobicContact CB-CD 4.22Å; D52-K58 WeakPolarHBondContact OD2-CE 3.47Å; D52-K58 IonicContact OD2-NZ 3.1Å; D52-K58 PolarHBondContact OD2-NZ 2.89Å
53D85.3Confident91Very high89 Ų8944.7 Ų44.748%0.47624%0.235SC..THydrogen-bonded Turntrans-65.4-8.1179.6-68.1-52.8000114S72 K74D53-S72 PolarHBondContact OD1-OG 3.19Å; D53-S72 VanDerWaalsContact OD2-CB 3.22Å; D53-S72 WeakPolarHBondContact OD2-CB 3.46Å; D53-S72 PolarHBondContact OD2-OG 3.01Å; D53-K74 WeakPolarHBondContact OD1-CE 3.48Å; D53-K74 IonicContact OD1-NZ 3.5Å; D53-K74 PolarHBondContact OD1-NZ 3.38Å
54N83.2Confident91Very high137 Ų13743.8 Ų43.873%0.73323%0.229SC*.THydrogen-bonded Turntrans-102.75.6172.3-63.6108.4000112.7D52 Q56D52-N54 PolarHBondContact O-N 2.91Å; D52-N54 VanDerWaalsContact O-N 3.08Å; D52-N54 WeakPolarHBondContact OD1-CA 3.34Å; D52-N54 WeakPolarHBondContact OD1-CB 3.17Å; D52-N54 PolarHBondContact OD1-N 2.93Å; N54-Q56 VanDerWaalsContact C-N 3.25Å; N54-Q56 HydrophobicContact CB-CG 4.37Å; N54-Q56 PolarHBondContact O-N 3.1Å
55G82.3Confident91Very high50 Ų5044.4 Ų44.452%0.51523%0.228SC..  trans73.510.6-177.400000114.3D52D52-G55 PolarHBondContact O-N 3.17Å; D52-G55 PolarHBondContact OD1-N 2.91Å
56Q85.1Confident90.9Very high57 Ų5744.4 Ų44.427%0.26623%0.228SC..  trans-77.5130.3178.5-62.9-67-48.600110.2F51 D52 N54 K58F51-Q56 WeakPolarHBondContact CA-O 3.38Å; D52-Q56 PolarHBondContact N-O 3Å; D52-Q56 VanDerWaalsContact N-O 3.1Å; D52-Q56 WeakPolarHBondContact OD1-CB 3.34Å; D52-Q56 PolarHBondContact OD1-N 3.08Å; N54-Q56 VanDerWaalsContact C-N 3.25Å; N54-Q56 HydrophobicContact CB-CG 4.37Å; N54-Q56 PolarHBondContact O-N 3.1Å; Q56-K58 PolarHBondContact O-N 2.88Å
57C89.6Confident90.6Very high35 Ų3546.1 Ų46.124%0.23624%0.237CC..EExtended strand (participates in β ladder)trans-75.3118.4175.1-175.10000110.3F51F51-C57 HydrophobicContact CD1-CB 4.14Å; F51-C57 HydrophobicContact CE1-CB 3.82Å
58K91.7Very high90.4Very high21 Ų2150.2 Ų50.29%0.09126%0.256CS..EExtended strand (participates in β ladder)trans-118128179.1-76.4170.8172165.30110A49 F50 D52 Q56 S287 T291A49-K58 CarbonylContact C-O 3.6Å; A49-K58 VanDerWaalsContact CA-O 3.25Å; A49-K58 WeakPolarHBondContact CA-O 3.34Å; F50-K58 HydrophobicContact CD1-CB 4.02Å; F50-K58 VanDerWaalsContact CD1-O 3.32Å; F50-K58 WeakPolarHBondContact CD1-O 3.39Å; F50-K58 HydrophobicContact CD2-CB 4.3Å; F50-K58 HydrophobicContact CE1-CB 3.62Å; F50-K58 HydrophobicContact CE2-CB 3.93Å; F50-K58 HydrophobicContact CE2-CD 3.76Å; F50-K58 HydrophobicContact CE2-CG 4.48Å; F50-K58 HydrophobicContact CG-CB 4.36Å; F50-K58 HydrophobicContact CZ-CB 3.58Å; F50-K58 HydrophobicContact CZ-CD 3.75Å; F50-K58 HydrophobicContact CZ-CG 4.31Å; F50-K58 PolarHBondContact N-O 2.68Å; F50-K58 PolarHBondContact O-N 2.71Å; D52-K58 HydrophobicContact CB-CD 4.22Å; D52-K58 WeakPolarHBondContact OD2-CE 3.47Å; D52-K58 IonicContact OD2-NZ 3.1Å; D52-K58 PolarHBondContact OD2-NZ 2.89Å; Q56-K58 PolarHBondContact O-N 2.88Å; K58-S287 VanDerWaalsContact CE-OG 3.25Å; K58-S287 WeakPolarHBondContact CE-OG 3.11Å; K58-S287 PolarHBondContact NZ-OG 3.04Å; K58-T291 HydrophobicContact CG-CG2 4.12Å
59W93.9Very high90.1Very high24 Ų2450.9 Ų50.99%0.09126%0.259CS..EExtended strand (participates in β ladder)trans-93.5144.3179.8-63.282.8000110.8A49 L83 V84 R85 H204 M295A49-W59 HydrophobicContact CB-CD2 3.88Å; A49-W59 HydrophobicContact CB-CE3 3.81Å; A49-W59 HydrophobicContact CB-CG 4.43Å; A49-W59 HydrophobicContact CB-CH2 4.36Å; A49-W59 HydrophobicContact CB-CZ2 4.4Å; A49-W59 HydrophobicContact CB-CZ3 4.05Å; W59-L83 HydrophobicContact CH2-CB 3.64Å; W59-L83 HydrophobicContact CH2-CD1 4.45Å; W59-L83 HydrophobicContact CZ3-CB 4.07Å; W59-V84 WeakPolarHBondContact CH2-O 3.25Å; W59-R85 HydrophobicContact CD2-CB 4.49Å; W59-R85 HydrophobicContact CD2-CG 4.04Å; W59-R85 HydrophobicContact CE3-CB 3.92Å; W59-R85 HydrophobicContact CE3-CG 3.87Å; W59-R85 HydrophobicContact CH2-CB 3.8Å; W59-R85 HydrophobicContact CH2-CG 4.3Å; W59-R85 HydrophobicContact CZ2-CB 4.4Å; W59-R85 HydrophobicContact CZ2-CG 4.48Å; W59-R85 HydrophobicContact CZ3-CB 3.54Å; W59-R85 HydrophobicContact CZ3-CG 4.01Å; W59-H204 AromaticContact CZ2-CE1 3.77Å; W59-M295 HydrophobicContact CD2-CE 4.42Å; W59-M295 HydrophobicContact CG-CE 4.03Å
60L94.1Very high89.7Confident1 Ų155.3 Ų55.31%0.00528%0.282CS..PPolyproline II helixtrans-67.2144.4171.1-56.3-170.9000111L48 F50 V66 H69 F71 L80 R85L48-L60 HydrophobicContact CB-CD1 3.8Å; L48-L60 HydrophobicContact CB-CG 4.05Å; L48-L60 HydrophobicContact CD1-CD1 4.22Å; L48-L60 PolarHBondContact O-N 3.35Å; F50-L60 HydrophobicContact CD1-CD2 3.93Å; F50-L60 HydrophobicContact CE1-CD2 3.98Å; L60-V66 HydrophobicContact CD1-CG1 4.22Å; L60-H69 HydrophobicContact CD2-CB 4.12Å; L60-F71 HydrophobicContact CD2-CE1 4.1Å; L60-F71 HydrophobicContact CD2-CZ 4.01Å; L60-L80 HydrophobicContact CD1-CD1 4.09Å; L60-R85 PolarHBondContact O-NH1 3.48Å
61Q91.7Very high89.5Confident32 Ų3256.5 Ų56.515%0.1529%0.288CS..PPolyproline II helixtrans-89.3118.8170.4-65.4173.8-30.800107.6S27 D63 R64 H69 V294 Y779S27-Q61 WeakPolarHBondContact CB-O 3.32Å; S27-Q61 PolarHBondContact OG-O 2.87Å; Q61-D63 VanDerWaalsContact C-N 3.29Å; Q61-D63 PolarHBondContact O-N 2.93Å; Q61-R64 HydrophobicContact CB-CB 3.85Å; Q61-R64 PolarHBondContact O-N 3.4Å; Q61-H69 PolarHBondContact N-NE2 2.77Å; Q61-V294 HydrophobicContact CG-CG1 4.08Å; Q61-V294 VanDerWaalsContact NE2-CG2 3.32Å; Q61-Y779 PolarHBondContact NE2-OH 3.36Å
62M90.2Very high89Confident48 Ų4853.5 Ų53.524%0.23628%0.28CS..THydrogen-bonded Turntrans-60-42.1-166.2-63.2-52.9171.800112.4S27 Y28 L31 R64S27-M62 PolarHBondContact N-O 2.63Å; Y28-M62 WeakPolarHBondContact CD1-O 3.21Å; Y28-M62 PolarHBondContact N-O 2.84Å; L31-M62 HydrophobicContact CD2-CE 3.74Å; L31-M62 HydrophobicContact CD2-SD 3.91Å; M62-R64 VanDerWaalsContact C-N 3.33Å
63D88.8Confident88.6Confident138 Ų13862.5 Ų62.574%0.73832%0.318SS*.THydrogen-bonded Turntrans-75.5-8.217845.5-62.2000114.5Q61Q61-D63 VanDerWaalsContact C-N 3.29Å; Q61-D63 PolarHBondContact O-N 2.93Å
64R92.2Very high88.3Confident60 Ų6065.3 Ų65.323%0.22633%0.326CS..SBendtrans-104.7151.8175.8-166.8175.7-173.9-156.23.2111.4S27 Q61 M62 E68S27-R64 PolarHBondContact N-O 3.04Å; S27-R64 PolarHBondContact OG-O 3.29Å; Q61-R64 HydrophobicContact CB-CB 3.85Å; Q61-R64 PolarHBondContact O-N 3.4Å; M62-R64 VanDerWaalsContact C-N 3.33Å; R64-E68 HydrophobicContact CG-CB 4.17Å; R64-E68 WeakPolarHBondContact CG-OE2 3.18Å; R64-E68 IonicContact NE-OE2 3.69Å; R64-E68 PolarHBondContact NH1-O 2.85Å; R64-E68 PolarHBondContact NH2-O 3.37Å
65R93.8Very high88Confident100 Ų10065.2 Ų65.238%0.37733%0.333SS..BIsolated β-bridgetrans-68.3144.8177.6-53.6-169.8-169.4168.112.6111.4P23 L25 L26 L67 E68 H69P23-R65 VanDerWaalsContact O-CD 3.25Å; P23-R65 WeakPolarHBondContact O-CD 3.44Å; P23-R65 PolarHBondContact O-NH1 2.74Å; L25-R65 CarbonylContact O-C 3.6Å; L25-R65 VanDerWaalsContact O-CA 3.31Å; L25-R65 WeakPolarHBondContact O-CA 3.38Å; L26-R65 HydrophobicContact CD2-CG 3.81Å; R65-L67 PolarHBondContact O-N 2.84Å; R65-E68 HydrophobicContact CB-CB 4.35Å; R65-E68 HydrophobicContact CB-CG 3.91Å; R65-E68 WeakPolarHBondContact CD-OE1 3.31Å; R65-E68 HydrophobicContact CG-CG 4.5Å; R65-E68 WeakPolarHBondContact CG-OE1 3.36Å; R65-E68 IonicContact CZ-OE1 3.15Å; R65-E68 PolarHBondContact N-OE2 2.86Å; R65-E68 IonicContact NE-OE1 2.67Å; R65-E68 PolarHBondContact O-N 3.41Å; R65-H69 PolarHBondContact O-CE1 3.26Å; R65-H69 PolarHBondContact O-ND1 2.83Å
66V92.8Very high88Confident0 Ų066.1 Ų66.10%034%0.342CS..G310 helixtrans-56-52.7-178.1-178.20000110V21 L25 L30 L60 E68 H69 F71V21-V66 HydrophobicContact CG1-CB 3.82Å; V21-V66 HydrophobicContact CG1-CG1 3.9Å; V21-V66 HydrophobicContact CG1-CG2 4.37Å; L25-V66 HydrophobicContact CD2-CG2 4.43Å; L25-V66 PolarHBondContact O-N 2.73Å; L30-V66 HydrophobicContact CB-CG2 3.97Å; L30-V66 HydrophobicContact CD2-CB 4.42Å; L30-V66 HydrophobicContact CD2-CG1 3.86Å; L30-V66 HydrophobicContact CD2-CG2 3.66Å; L30-V66 HydrophobicContact CG-CG2 4.46Å; L60-V66 HydrophobicContact CD1-CG1 4.22Å; V66-E68 PolarHBondContact O-N 3.04Å; V66-E68 VanDerWaalsContact O-N 3.15Å; V66-H69 WeakPolarHBondContact O-CB 3.4Å; V66-H69 PolarHBondContact O-N 3.01Å; V66-H69 PolarHBondContact O-ND1 2.89Å; V66-H69 VanDerWaalsContact O-ND1 3.11Å; V66-F71 HydrophobicContact CG1-CE2 4.32Å; V66-F71 HydrophobicContact CG1-CZ 4.09Å; V66-F71 WeakPolarHBondContact O-CE2 3.38Å; V66-F71 WeakPolarHBondContact O-CZ 3.46Å
67L91.7Very high88.1Confident38 Ų3865.4 Ų65.420%0.19935%0.346CS..G310 helixtrans-74-1.5-175.7-54.4-166.6000115.6K5 V21 P23 R65 I78K5-L67 HydrophobicContact CB-CD1 4.18Å; K5-L67 HydrophobicContact CB-CD2 4.02Å; K5-L67 HydrophobicContact CD-CD1 4.32Å; K5-L67 HydrophobicContact CD-CD2 4.22Å; K5-L67 HydrophobicContact CG-CD1 4.08Å; K5-L67 HydrophobicContact CG-CD2 4.44Å; V21-L67 HydrophobicContact CB-CD2 4.18Å; V21-L67 HydrophobicContact CG1-CD1 4.46Å; V21-L67 HydrophobicContact CG1-CD2 3.61Å; V21-L67 HydrophobicContact CG1-CG 3.85Å; P23-L67 HydrophobicContact CB-CD1 4.42Å; P23-L67 HydrophobicContact CG-CD1 4.16Å; R65-L67 PolarHBondContact O-N 2.84Å; L67-I78 HydrophobicContact CD2-CD1 3.62Å
68E90.9Very high88.2Confident86 Ų8664.7 Ų64.740%0.40234%0.339SS..G310 helixtrans-87.7-7.2172.3-70.2167.9-177.800112.6R64 R65 V66R64-E68 HydrophobicContact CG-CB 4.17Å; R64-E68 WeakPolarHBondContact CG-OE2 3.18Å; R64-E68 IonicContact NE-OE2 3.69Å; R64-E68 PolarHBondContact NH1-O 2.85Å; R64-E68 PolarHBondContact NH2-O 3.37Å; R65-E68 HydrophobicContact CB-CB 4.35Å; R65-E68 HydrophobicContact CB-CG 3.91Å; R65-E68 WeakPolarHBondContact CD-OE1 3.31Å; R65-E68 HydrophobicContact CG-CG 4.5Å; R65-E68 WeakPolarHBondContact CG-OE1 3.36Å; R65-E68 IonicContact CZ-OE1 3.15Å; R65-E68 PolarHBondContact N-OE2 2.86Å; R65-E68 IonicContact NE-OE1 2.67Å; R65-E68 PolarHBondContact O-N 3.41Å; V66-E68 PolarHBondContact O-N 3.04Å; V66-E68 VanDerWaalsContact O-N 3.15Å
69H90.2Very high88.3Confident16 Ų1667.3 Ų67.37%0.07436%0.36CS..SBendtrans-76.1152.8178.2-69.978.2000112.7S27 F50 L60 Q61 R65 V66 F71S27-H69 PolarHBondContact OG-CE1 3.29Å; F50-H69 HydrophobicContact CE1-CB 4.22Å; F50-H69 HydrophobicContact CZ-CB 4.46Å; L60-H69 HydrophobicContact CD2-CB 4.12Å; Q61-H69 PolarHBondContact N-NE2 2.77Å; R65-H69 PolarHBondContact O-CE1 3.26Å; R65-H69 PolarHBondContact O-ND1 2.83Å; V66-H69 WeakPolarHBondContact O-CB 3.4Å; V66-H69 PolarHBondContact O-N 3.01Å; V66-H69 PolarHBondContact O-ND1 2.89Å; V66-H69 VanDerWaalsContact O-ND1 3.11Å; H69-F71 HydrophobicContact CB-CD2 4.45Å; H69-F71 HydrophobicContact CB-CE1 4.22Å; H69-F71 HydrophobicContact CB-CE2 4.05Å; H69-F71 HydrophobicContact CB-CZ 3.92Å; H69-F71 PolarHBondContact O-N 3.03Å
70D87Confident88.4Confident92 Ų9266.2 Ų66.249%0.49236%0.356SS..  trans-75.656.5-174.8-56.4-58.8000113F50F50-D70 WeakPolarHBondContact CE2-O 3.42Å
71F87.5Confident88.4Confident34 Ų3467.8 Ų67.815%0.14937%0.365CS..  trans-65.1155.7174.1-58.9-55.8000111.9F50 L60 V66 H69 I78 L80F50-F71 HydrophobicContact CB-CD1 4.33Å; F50-F71 HydrophobicContact CB-CE1 4.23Å; F50-F71 AromaticContact CD1-CD1 3.92Å; F50-F71 HydrophobicContact CD1-CD1 3.92Å; F50-F71 AromaticContact CD1-CE1 3.57Å; F50-F71 HydrophobicContact CD1-CE1 3.57Å; F50-F71 AromaticContact CD2-CD1 3.79Å; F50-F71 HydrophobicContact CD2-CD1 3.79Å; F50-F71 HydrophobicContact CD2-CE1 4.28Å; F50-F71 HydrophobicContact CE1-CD1 4.06Å; F50-F71 AromaticContact CE1-CE1 3.85Å; F50-F71 HydrophobicContact CE1-CE1 3.85Å; F50-F71 AromaticContact CE2-CD1 3.93Å; F50-F71 HydrophobicContact CE2-CD1 3.93Å; F50-F71 AromaticContact CG-CD1 3.77Å; F50-F71 HydrophobicContact CG-CD1 3.77Å; F50-F71 AromaticContact CG-CE1 3.79Å; F50-F71 HydrophobicContact CG-CE1 3.79Å; F50-F71 HydrophobicContact CZ-CD1 4.05Å; F50-F71 HydrophobicContact CZ-CE1 4.31Å; L60-F71 HydrophobicContact CD2-CE1 4.1Å; L60-F71 HydrophobicContact CD2-CZ 4.01Å; V66-F71 HydrophobicContact CG1-CE2 4.32Å; V66-F71 HydrophobicContact CG1-CZ 4.09Å; V66-F71 WeakPolarHBondContact O-CE2 3.38Å; V66-F71 WeakPolarHBondContact O-CZ 3.46Å; H69-F71 HydrophobicContact CB-CD2 4.45Å; H69-F71 HydrophobicContact CB-CE1 4.22Å; H69-F71 HydrophobicContact CB-CE2 4.05Å; H69-F71 HydrophobicContact CB-CZ 3.92Å; H69-F71 PolarHBondContact O-N 3.03Å; F71-I78 HydrophobicContact CD1-CG2 3.75Å; F71-I78 HydrophobicContact CD2-CD1 3.8Å; F71-I78 HydrophobicContact CD2-CG1 4.34Å; F71-I78 HydrophobicContact CD2-CG2 4.18Å; F71-I78 HydrophobicContact CE1-CG2 3.64Å; F71-I78 HydrophobicContact CE2-CD1 3.83Å; F71-I78 HydrophobicContact CE2-CG2 4.05Å; F71-I78 HydrophobicContact CG-CD1 4.49Å; F71-I78 HydrophobicContact CG-CG2 4.04Å; F71-I78 HydrophobicContact CZ-CG2 3.79Å; F71-L80 HydrophobicContact CE1-CD2 3.79Å; F71-L80 HydrophobicContact CZ-CD2 4.19Å
72S80.6Confident88.7Confident42 Ų4266.3 Ų66.329%0.29436%0.358SS..  trans-56.9144.4171.5-174.80000111.5D53 K74D53-S72 PolarHBondContact OD1-OG 3.19Å; D53-S72 VanDerWaalsContact OD2-CB 3.22Å; D53-S72 WeakPolarHBondContact OD2-CB 3.46Å; D53-S72 PolarHBondContact OD2-OG 3.01Å; S72-K74 PolarHBondContact O-N 2.93Å; S72-K74 WeakPolarHBondContact OG-CD 3.44Å; S72-K74 WeakPolarHBondContact OG-CG 3.45Å; S72-K74 PolarHBondContact OG-N 3.17Å
73K79.3Confident89Confident212 Ų21265.9 Ų65.992%0.92236%0.356SS*.  trans-81.86.4177.2-61.8-177.2-179179.60113.4
74K78.8Confident89.3Confident148 Ų14859.3 Ų59.364%0.64332%0.321SS*.SBendtrans-60.6139.7175.5-74.3165.7176.9163.40111D53 S72D53-K74 WeakPolarHBondContact OD1-CE 3.48Å; D53-K74 IonicContact OD1-NZ 3.5Å; D53-K74 PolarHBondContact OD1-NZ 3.38Å; S72-K74 PolarHBondContact O-N 2.93Å; S72-K74 WeakPolarHBondContact OG-CD 3.44Å; S72-K74 WeakPolarHBondContact OG-CG 3.45Å; S72-K74 PolarHBondContact OG-N 3.17Å
75P75.9Confident89.5Confident136 Ų13657 Ų5788%0.88331%0.312SS*.SBendtrans-70.5130.2172.829.8-33.6000110.2
76G82.9Confident89.6Confident69 Ų6953.3 Ų53.371%0.71130%0.299SS*.SBendtrans153.7-173.2-179.400000112.5
77A87.5Confident89.6Confident41 Ų4154.5 Ų54.534%0.33930%0.304SS..  trans-74.5148168.700000110.9L6 S79L6-A77 HydrophobicContact CB-CB 4.25Å; L6-A77 HydrophobicContact CD2-CB 4.09Å; L6-A77 HydrophobicContact CG-CB 3.95Å; L6-A77 CarbonylContact O-C 3.58Å; L6-A77 VanDerWaalsContact O-CA 3.28Å; L6-A77 WeakPolarHBondContact O-CA 3.21Å; A77-S79 PolarHBondContact O-N 3.09Å
78I91.8Very high89.7Confident20 Ų2053 Ų5310%0.10330%0.296CS..EExtended strand (participates in β ladder)trans-74.5113.2172.3-61.7166.4000108.4K5 L6 C7 Q8 L67 F71 L80K5-I78 HydrophobicContact CB-CD1 3.88Å; K5-I78 HydrophobicContact CD-CD1 3.86Å; L6-I78 PolarHBondContact O-N 3.34Å; C7-I78 CarbonylContact C-O 3.55Å; C7-I78 WeakPolarHBondContact CA-O 3.41Å; C7-I78 HydrophobicContact CB-CB 4.42Å; C7-I78 PolarHBondContact SG-O 3.35Å; Q8-I78 PolarHBondContact N-O 2.99Å; L67-I78 HydrophobicContact CD2-CD1 3.62Å; F71-I78 HydrophobicContact CD1-CG2 3.75Å; F71-I78 HydrophobicContact CD2-CD1 3.8Å; F71-I78 HydrophobicContact CD2-CG1 4.34Å; F71-I78 HydrophobicContact CD2-CG2 4.18Å; F71-I78 HydrophobicContact CE1-CG2 3.64Å; F71-I78 HydrophobicContact CE2-CD1 3.83Å; F71-I78 HydrophobicContact CE2-CG2 4.05Å; F71-I78 HydrophobicContact CG-CD1 4.49Å; F71-I78 HydrophobicContact CG-CG2 4.04Å; F71-I78 HydrophobicContact CZ-CG2 3.79Å; I78-L80 HydrophobicContact CG2-CD2 3.97Å; I78-L80 HydrophobicContact CG2-CG 4.23Å; I78-L80 PolarHBondContact O-N 3.04Å
79S93Very high89.6Confident76 Ų7653.6 Ų53.653%0.53130%0.299SS..EExtended strand (participates in β ladder)trans-80.1115.3174-570000110.8Q8 A77Q8-S79 WeakPolarHBondContact O-CA 3.47Å; A77-S79 PolarHBondContact O-N 3.09Å
80L95.6Very high89.6Confident1 Ų156.1 Ų56.11%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-111.6158.3169.1-59.4-176.8000110C7 Q8 V9 Q10 L30 L48 A49 F50 L60 F71 I78C7-L80 VanDerWaalsContact SG-CD1 3.53Å; Q8-L80 PolarHBondContact O-N 3.41Å; V9-L80 CarbonylContact C-O 3.55Å; V9-L80 WeakPolarHBondContact CA-O 3.44Å; V9-L80 HydrophobicContact CG1-CB 4.38Å; V9-L80 HydrophobicContact CG2-CB 4.32Å; V9-L80 HydrophobicContact CG2-CD1 4.45Å; Q10-L80 PolarHBondContact N-O 3.22Å; L30-L80 HydrophobicContact CD2-CD1 3.66Å; L48-L80 HydrophobicContact CB-CD1 4.46Å; L48-L80 HydrophobicContact CD1-CD1 4.4Å; A49-L80 CarbonylContact O-C 3.57Å; F50-L80 HydrophobicContact CB-CD2 3.97Å; L60-L80 HydrophobicContact CD1-CD1 4.09Å; F71-L80 HydrophobicContact CE1-CD2 3.79Å; F71-L80 HydrophobicContact CZ-CD2 4.19Å; I78-L80 HydrophobicContact CG2-CD2 3.97Å; I78-L80 HydrophobicContact CG2-CG 4.23Å; I78-L80 PolarHBondContact O-N 3.04Å
81N95.4Very high89.8Confident34 Ų3451.9 Ų51.918%0.18229%0.29CS..EExtended strand (participates in β ladder)trans-127.5126.6175.2-51.2-94000107.9L48 A49 L83L48-N81 WeakPolarHBondContact CA-O 3.48Å; A49-N81 PolarHBondContact N-O 3.01Å; A49-N81 PolarHBondContact O-N 3.1Å; A49-N81 PolarHBondContact O-ND2 2.84Å; N81-L83 HydrophobicContact CB-CD1 3.96Å; N81-L83 HydrophobicContact CB-CG 3.95Å
82F96.8Very high90Very high1 Ų151.4 Ų51.40%0.00429%0.29CS..EExtended strand (participates in β ladder)trans-83117.2169.9178.3-108.8000108.5V9 Q10 L11 L12 L31 V34 F38 L40 F46 L48 L102V9-F82 HydrophobicContact CG1-CB 4.23Å; Q10-F82 PolarHBondContact O-N 3.23Å; L11-F82 HydrophobicContact CD2-CB 4.2Å; L12-F82 HydrophobicContact CD1-CD1 3.93Å; L12-F82 HydrophobicContact CD1-CE1 3.96Å; L12-F82 WeakPolarHBondContact CD2-O 3.31Å; L12-F82 HydrophobicContact CG-CD1 4Å; L12-F82 WeakPolarHBondContact CG-O 3.21Å; L31-F82 HydrophobicContact CD1-CD2 4.1Å; L31-F82 HydrophobicContact CD1-CE2 3.78Å; V34-F82 HydrophobicContact CG1-CB 3.98Å; V34-F82 HydrophobicContact CG1-CD1 4.33Å; V34-F82 HydrophobicContact CG1-CD2 3.5Å; V34-F82 HydrophobicContact CG1-CE2 4Å; V34-F82 HydrophobicContact CG1-CG 3.69Å; F38-F82 HydrophobicContact CD2-CE1 4.06Å; F38-F82 HydrophobicContact CE2-CD1 4.07Å; F38-F82 AromaticContact CE2-CE1 3.98Å; F38-F82 HydrophobicContact CE2-CE1 3.98Å; L40-F82 HydrophobicContact CD2-CZ 3.96Å; F46-F82 HydrophobicContact CB-CD2 4.4Å; F46-F82 HydrophobicContact CB-CE2 3.56Å; F46-F82 HydrophobicContact CB-CZ 3.72Å; F46-F82 AromaticContact CD1-CE1 3.84Å; F46-F82 HydrophobicContact CD1-CE1 3.84Å; F46-F82 HydrophobicContact CD1-CE2 4.23Å; F46-F82 AromaticContact CD1-CZ 3.61Å; F46-F82 HydrophobicContact CD1-CZ 3.61Å; F46-F82 HydrophobicContact CD2-CZ 4.38Å; F46-F82 HydrophobicContact CE1-CE1 4.3Å; F46-F82 HydrophobicContact CE1-CZ 4.34Å; F46-F82 HydrophobicContact CG-CE1 4.34Å; F46-F82 HydrophobicContact CG-CE2 4.04Å; F46-F82 AromaticContact CG-CZ 3.64Å; F46-F82 HydrophobicContact CG-CZ 3.64Å; L48-F82 HydrophobicContact CD2-CB 4.14Å; L48-F82 HydrophobicContact CD2-CD2 4.3Å; F82-L102 HydrophobicContact CE1-CD1 4.36Å
83L96Very high90.4Very high39 Ų3951 Ų5120%0.20428%0.283CS..EExtended strand (participates in β ladder)trans-142.4158.5-169.7-66.1176000111.2L12 F46 G47 A49 W59 N81 R85L12-L83 HydrophobicContact CD2-CD2 3.98Å; F46-L83 CarbonylContact C-O 3.53Å; F46-L83 WeakPolarHBondContact CA-O 3.25Å; G47-L83 PolarHBondContact N-O 3.17Å; G47-L83 PolarHBondContact O-N 3.08Å; A49-L83 HydrophobicContact CB-CD1 4.29Å; W59-L83 HydrophobicContact CH2-CB 3.64Å; W59-L83 HydrophobicContact CH2-CD1 4.45Å; W59-L83 HydrophobicContact CZ3-CB 4.07Å; N81-L83 HydrophobicContact CB-CD1 3.96Å; N81-L83 HydrophobicContact CB-CG 3.95Å; L83-R85 PolarHBondContact O-N 3.01Å
84V96.3Very high91Very high0 Ų041 Ų410%024%0.24CC..EExtended strand (participates in β ladder)trans-70.1119168.3177.10000109F46 W59 Y87 F103 N106F46-V84 HydrophobicContact CD1-CG2 3.96Å; F46-V84 HydrophobicContact CE1-CG2 3.57Å; F46-V84 HydrophobicContact CZ-CG2 4.28Å; W59-V84 WeakPolarHBondContact CH2-O 3.25Å; V84-Y87 HydrophobicContact CB-CE1 4.2Å; V84-Y87 HydrophobicContact CB-CE2 4.33Å; V84-Y87 HydrophobicContact CG1-CD1 4.01Å; V84-Y87 HydrophobicContact CG1-CD2 4.08Å; V84-Y87 HydrophobicContact CG1-CE1 3.83Å; V84-Y87 HydrophobicContact CG1-CE2 3.88Å; V84-Y87 HydrophobicContact CG1-CG 4.13Å; V84-Y87 VanDerWaalsContact O-CE2 3.27Å; V84-Y87 WeakPolarHBondContact O-CE2 3.41Å; V84-Y87 PolarHBondContact O-OH 3.18Å; V84-F103 HydrophobicContact CG1-CD1 4.44Å; V84-F103 HydrophobicContact CG1-CE1 3.79Å; V84-F103 HydrophobicContact CG1-CE2 4.06Å; V84-F103 HydrophobicContact CG1-CZ 3.58Å; V84-F103 HydrophobicContact CG2-CD1 4.43Å; V84-F103 HydrophobicContact CG2-CD2 3.86Å; V84-F103 HydrophobicContact CG2-CE1 4.47Å; V84-F103 HydrophobicContact CG2-CE2 3.92Å; V84-F103 HydrophobicContact CG2-CG 4.14Å; V84-F103 HydrophobicContact CG2-CZ 4.23Å; V84-N106 HydrophobicContact CB-CB 4.38Å; V84-N106 HydrophobicContact CG2-CB 3.71Å; V84-N106 PolarHBondContact N-OD1 2.72Å
85R95.3Very high91.5Very high12 Ų1240.1 Ų40.15%0.04524%0.236CC..  trans-93.2-43.8178.5-176.7173.1171.41570111.2F45 W59 L60 L83 H204 S298 Q299F45-R85 PolarHBondContact O-N 3.22Å; W59-R85 HydrophobicContact CD2-CB 4.49Å; W59-R85 HydrophobicContact CD2-CG 4.04Å; W59-R85 HydrophobicContact CE3-CB 3.92Å; W59-R85 HydrophobicContact CE3-CG 3.87Å; W59-R85 HydrophobicContact CH2-CB 3.8Å; W59-R85 HydrophobicContact CH2-CG 4.3Å; W59-R85 HydrophobicContact CZ2-CB 4.4Å; W59-R85 HydrophobicContact CZ2-CG 4.48Å; W59-R85 HydrophobicContact CZ3-CB 3.54Å; W59-R85 HydrophobicContact CZ3-CG 4.01Å; L60-R85 PolarHBondContact O-NH1 3.48Å; L83-R85 PolarHBondContact O-N 3.01Å; R85-H204 PolarHBondContact O-NE2 2.91Å; R85-S298 VanDerWaalsContact NH2-CB 3.32Å; R85-S298 PolarHBondContact NH2-OG 2.88Å; R85-Q299 PolarHBondContact O-NE2 3.3Å
86F95.7Very high92.3Very high22 Ų2234.5 Ų34.510%0.09620%0.199CC..SBendtrans-114.4111.2-174.7-55.2-77.3000109.9E44 F45 S298 Q299 F302E44-F86 WeakPolarHBondContact O-CD2 3.43Å; F45-F86 PolarHBondContact O-N 3.09Å; F86-S298 WeakPolarHBondContact CE1-O 3.26Å; F86-Q299 HydrophobicContact CE1-CG 4.44Å; F86-F302 HydrophobicContact CB-CD1 3.87Å; F86-F302 HydrophobicContact CB-CD2 3.81Å; F86-F302 HydrophobicContact CB-CE1 3.73Å; F86-F302 HydrophobicContact CB-CE2 3.66Å; F86-F302 HydrophobicContact CB-CG 3.91Å; F86-F302 HydrophobicContact CB-CZ 3.62Å; F86-F302 HydrophobicContact CD1-CB 3.63Å; F86-F302 HydrophobicContact CD1-CD1 4.02Å; F86-F302 HydrophobicContact CD1-CD2 4.05Å; F86-F302 AromaticContact CD1-CG 3.64Å; F86-F302 HydrophobicContact CD1-CG 3.64Å; F86-F302 HydrophobicContact CD2-CD2 4.14Å; F86-F302 HydrophobicContact CD2-CE2 4.49Å; F86-F302 HydrophobicContact CE1-CB 3.81Å; F86-F302 HydrophobicContact CE1-CG 4.29Å; F86-F302 HydrophobicContact CG-CB 4.22Å; F86-F302 HydrophobicContact CG-CD1 4.19Å; F86-F302 AromaticContact CG-CD2 3.74Å; F86-F302 HydrophobicContact CG-CD2 3.74Å; F86-F302 HydrophobicContact CG-CE2 4.09Å; F86-F302 AromaticContact CG-CG 3.79Å; F86-F302 HydrophobicContact CG-CG 3.79Å; F86-F302 HydrophobicContact CG-CZ 4.45Å; F86-F302 HydrophobicContact CZ-CB 4.49Å
87Y94.6Very high92.7Very high26 Ų2632.2 Ų32.210%0.10217%0.17CC..  trans-90144.4-178.8-67.6-99.1000109.9V84 N106 Y201 G202 Y222V84-Y87 HydrophobicContact CB-CE1 4.2Å; V84-Y87 HydrophobicContact CB-CE2 4.33Å; V84-Y87 HydrophobicContact CG1-CD1 4.01Å; V84-Y87 HydrophobicContact CG1-CD2 4.08Å; V84-Y87 HydrophobicContact CG1-CE1 3.83Å; V84-Y87 HydrophobicContact CG1-CE2 3.88Å; V84-Y87 HydrophobicContact CG1-CG 4.13Å; V84-Y87 VanDerWaalsContact O-CE2 3.27Å; V84-Y87 WeakPolarHBondContact O-CE2 3.41Å; V84-Y87 PolarHBondContact O-OH 3.18Å; Y87-N106 PolarHBondContact OH-ND2 2.8Å; Y87-Y201 HydrophobicContact CD1-CD2 4.18Å; Y87-Y201 AromaticContact CD1-CE2 3.55Å; Y87-Y201 HydrophobicContact CD1-CE2 3.55Å; Y87-Y201 AromaticContact CD1-CZ 3.94Å; Y87-Y201 HydrophobicContact CE1-CE2 4.19Å; Y87-G202 VanDerWaalsContact CG-CA 3.4Å; Y87-Y222 WeakPolarHBondContact O-CB 3.5Å
88L92.1Very high93Very high6 Ų632.8 Ų32.83%0.03117%0.167CC..  trans-97.5154175.8-66.8-176.8000111.3F45 Q93 L94 Y201 F302F45-L88 HydrophobicContact CD1-CD1 4.48Å; F45-L88 HydrophobicContact CD1-CG 4.38Å; F45-L88 HydrophobicContact CE1-CD1 3.65Å; F45-L88 HydrophobicContact CE1-CD2 3.9Å; F45-L88 HydrophobicContact CE1-CG 3.88Å; F45-L88 HydrophobicContact CZ-CD1 3.71Å; F45-L88 HydrophobicContact CZ-CG 4.44Å; L88-Q93 HydrophobicContact CD1-CB 3.62Å; L88-L94 HydrophobicContact CD1-CD2 3.44Å; L88-L94 VanDerWaalsContact CD1-CD2 3.44Å; L88-L94 HydrophobicContact CD1-CG 4.14Å; L88-L94 HydrophobicContact CG-CD2 4.4Å; L88-Y201 VanDerWaalsContact O-CE1 3.3Å; L88-Y201 WeakPolarHBondContact O-CE1 3.21Å; L88-Y201 PolarHBondContact O-OH 3.1Å; L88-F302 HydrophobicContact CD2-CE1 4.01Å; L88-F302 HydrophobicContact CD2-CZ 3.8Å
89E89.3Confident93.1Very high99 Ų9931.9 Ų31.946%0.46316%0.162SC..SBendtrans-62.8-42.2176.7-177.7169.8-135.800112.2E196 Y222E89-E196 WeakPolarHBondContact O-CG 3.3Å; E89-Y222 HydrophobicContact CB-CD2 4.01Å; E89-Y222 HydrophobicContact CB-CE2 3.58Å; E89-Y222 HydrophobicContact CG-CE2 3.86Å
90N89.6Confident93.3Very high69 Ų6928.2 Ų28.237%0.36914%0.137SC..  trans-133.1138174.7-49.2-14.9000109.8T92 Q93 E196N90-T92 WeakPolarHBondContact CB-OG1 3.32Å; N90-T92 PolarHBondContact O-N 2.9Å; N90-Q93 WeakPolarHBondContact O-CB 3.44Å; N90-Q93 PolarHBondContact O-N 2.91Å; N90-E196 VanDerWaalsContact CA-OE2 3.27Å; N90-E196 WeakPolarHBondContact CA-OE2 3.44Å
91I91.8Very high93.2Very high2 Ų229 Ų291%0.0114%0.14CC..G310 helixtrans-62.4-20.9174.559.9175.7000114.1Q93 L94 L192 T193 E196 L319I91-Q93 PolarHBondContact O-N 2.93Å; I91-L94 HydrophobicContact CB-CD1 4.46Å; I91-L94 WeakPolarHBondContact O-CB 3.32Å; I91-L94 WeakPolarHBondContact O-CG 3.49Å; I91-L94 PolarHBondContact O-N 2.78Å; I91-L192 HydrophobicContact CD1-CB 3.71Å; I91-L192 HydrophobicContact CD1-CD1 4.24Å; I91-L192 HydrophobicContact CG2-CB 4.19Å; I91-L192 HydrophobicContact CG2-CD1 4.33Å; I91-L192 HydrophobicContact CG2-CD2 4.5Å; I91-T193 HydrophobicContact CD1-CG2 3.93Å; I91-E196 WeakPolarHBondContact CG2-OE2 3.24Å; I91-E196 PolarHBondContact N-OE2 2.89Å; I91-L319 HydrophobicContact CD1-CD2 3.98Å; I91-L319 HydrophobicContact CG1-CD2 3.95Å
92T91.4Very high93.2Very high25 Ų2527.4 Ų27.415%0.15313%0.132CC..G310 helixtrans-63.3-10.4174.954.10000114.2N90 R317 L319 I322N90-T92 WeakPolarHBondContact CB-OG1 3.32Å; N90-T92 PolarHBondContact O-N 2.9Å; T92-R317 VanDerWaalsContact CB-O 3.3Å; T92-R317 WeakPolarHBondContact CB-O 3.48Å; T92-R317 VanDerWaalsContact CG2-O 3.26Å; T92-R317 WeakPolarHBondContact CG2-O 3.21Å; T92-L319 HydrophobicContact CG2-CD2 3.53Å; T92-L319 HydrophobicContact CG2-CG 3.94Å; T92-I322 HydrophobicContact CG2-CD1 4.42Å
93Q90.4Very high93.2Very high33 Ų3327.6 Ų27.615%0.15413%0.132CC..G310 helixtrans-85.8-8.9174.8-63.7178.453.900113.7L88 N90 I91L88-Q93 HydrophobicContact CD1-CB 3.62Å; N90-Q93 WeakPolarHBondContact O-CB 3.44Å; N90-Q93 PolarHBondContact O-N 2.91Å; I91-Q93 PolarHBondContact O-N 2.93Å
94L91.3Very high93.2Very high1 Ų125.8 Ų25.81%0.00512%0.123CC..  trans-78.7138170.9-55176.5000108.9F45 L88 I91 T99 V100 F103 R317F45-L94 HydrophobicContact CD2-CD2 3.9Å; F45-L94 HydrophobicContact CE1-CD2 4.39Å; F45-L94 HydrophobicContact CE2-CD2 3.39Å; F45-L94 HydrophobicContact CZ-CD2 3.68Å; L88-L94 HydrophobicContact CD1-CD2 3.44Å; L88-L94 VanDerWaalsContact CD1-CD2 3.44Å; L88-L94 HydrophobicContact CD1-CG 4.14Å; L88-L94 HydrophobicContact CG-CD2 4.4Å; I91-L94 HydrophobicContact CB-CD1 4.46Å; I91-L94 WeakPolarHBondContact O-CB 3.32Å; I91-L94 WeakPolarHBondContact O-CG 3.49Å; I91-L94 PolarHBondContact O-N 2.78Å; L94-T99 HydrophobicContact CB-CG2 4.45Å; L94-T99 HydrophobicContact CD1-CG2 4.32Å; L94-T99 HydrophobicContact CD2-CG2 3.77Å; L94-T99 HydrophobicContact CG-CG2 4.4Å; L94-V100 HydrophobicContact CB-CG2 3.9Å; L94-V100 HydrophobicContact CD1-CB 4.44Å; L94-V100 HydrophobicContact CD1-CG2 3.89Å; L94-F103 HydrophobicContact CD1-CB 4.24Å; L94-F103 HydrophobicContact CD1-CD1 4.17Å; L94-F103 HydrophobicContact CD1-CD2 4.01Å; L94-F103 HydrophobicContact CD1-CE2 4.39Å; L94-F103 HydrophobicContact CD1-CG 3.88Å; L94-F103 HydrophobicContact CD2-CD2 4.39Å; L94-F103 HydrophobicContact CD2-CE2 3.97Å; L94-F103 HydrophobicContact CD2-CZ 4.05Å; L94-R317 VanDerWaalsContact C-NH2 3.34Å; L94-R317 PolarHBondContact O-NE 3.03Å; L94-R317 PolarHBondContact O-NH2 2.71Å
95K90Very high93.2Very high130 Ų13026.6 Ų26.657%0.56513%0.127SC*.  trans-104.4-33.7-176.7-60.4179.5-174.6175.30114.1E42 R317E42-K95 VanDerWaalsContact CD-N 3.33Å; E42-K95 WeakPolarHBondContact OE1-CB 2.98Å; E42-K95 PolarHBondContact OE1-N 3.31Å; E42-K95 PolarHBondContact OE2-N 2.94Å; K95-R317 VanDerWaalsContact C-NH2 3.26Å; K95-R317 PolarHBondContact O-NH1 3.05Å; K95-R317 PolarHBondContact O-NH2 2.89Å
96D91.1Very high93.2Very high19 Ų1926.3 Ų26.310%0.10213%0.127CC..SBendtrans-95.7149.9-179-169.180.8000111.2K41 E42 I98 R317K41-D96 HydrophobicContact CD-CB 4.42Å; K41-D96 WeakPolarHBondContact CD-OD1 3.45Å; K41-D96 VanDerWaalsContact CE-OD1 3.28Å; K41-D96 WeakPolarHBondContact CE-OD1 3.43Å; K41-D96 IonicContact NZ-OD1 2.82Å; K41-D96 PolarHBondContact NZ-OD1 2.47Å; E42-D96 HydrophobicContact CG-CB 4.47Å; E42-D96 PolarHBondContact OE2-N 2.93Å; D96-I98 WeakPolarHBondContact OD2-CB 3.18Å; D96-I98 PolarHBondContact OD2-N 2.85Å; D96-R317 PolarHBondContact O-NH2 3.09Å
97I92.3Very high93.2Very high20 Ų2025.5 Ų25.510%0.10312%0.124CC..Hα-helixtrans-73.7-40-175.5-60.4166000110.1T99 V100 E101 E325 I326 H329I97-T99 VanDerWaalsContact C-N 3.26Å; I97-T99 PolarHBondContact O-N 2.82Å; I97-V100 PolarHBondContact O-N 3.37Å; I97-V100 VanDerWaalsContact O-N 3.09Å; I97-E101 PolarHBondContact O-N 3.07Å; I97-E101 VanDerWaalsContact O-N 3.09Å; I97-E325 HydrophobicContact CD1-CB 3.78Å; I97-E325 HydrophobicContact CD1-CG 4.3Å; I97-E325 HydrophobicContact CG1-CB 4.11Å; I97-I326 HydrophobicContact CG2-CG1 3.77Å; I97-H329 WeakPolarHBondContact CD1-CE1 3.38Å; I97-H329 WeakPolarHBondContact CD1-ND1 3.48Å; I97-H329 HydrophobicContact CG2-CB 4.45Å
98I93.4Very high93.2Very high54 Ų5426 Ų2628%0.27713%0.127SC..Hα-helixtrans-64.2-36.1178.7-52.1-57.1000110.2F38 D96 V100 E101 L102F38-I98 HydrophobicContact CB-CG2 4.29Å; D96-I98 WeakPolarHBondContact OD2-CB 3.18Å; D96-I98 PolarHBondContact OD2-N 2.85Å; I98-V100 VanDerWaalsContact C-N 3.32Å; I98-V100 PolarHBondContact O-N 3.39Å; I98-E101 PolarHBondContact O-N 2.97Å; I98-L102 HydrophobicContact CG2-CD1 3.95Å; I98-L102 HydrophobicContact CG2-CG 4.21Å; I98-L102 WeakPolarHBondContact O-CB 3.48Å; I98-L102 VanDerWaalsContact O-CG 3.29Å; I98-L102 WeakPolarHBondContact O-CG 3.49Å; I98-L102 PolarHBondContact O-N 3.32Å
99T95Very high93.3Very high0 Ų027.7 Ų27.70%014%0.139CC..Hα-helixtrans-56.9-45.4173-47.50000111.7E42 F45 F46 L94 I97 L102 F103E42-T99 HydrophobicContact CB-CG2 4.19Å; E42-T99 VanDerWaalsContact OE2-CB 3.28Å; E42-T99 WeakPolarHBondContact OE2-CB 3.33Å; E42-T99 PolarHBondContact OE2-OG1 3.43Å; F45-T99 HydrophobicContact CD2-CG2 3.61Å; F45-T99 HydrophobicContact CE2-CG2 3.83Å; F46-T99 HydrophobicContact CE2-CG2 4.08Å; F46-T99 HydrophobicContact CZ-CG2 4.31Å; L94-T99 HydrophobicContact CB-CG2 4.45Å; L94-T99 HydrophobicContact CD1-CG2 4.32Å; L94-T99 HydrophobicContact CD2-CG2 3.77Å; L94-T99 HydrophobicContact CG-CG2 4.4Å; I97-T99 VanDerWaalsContact C-N 3.26Å; I97-T99 PolarHBondContact O-N 2.82Å; T99-L102 PolarHBondContact O-N 2.87Å; T99-F103 HydrophobicContact CG2-CD2 4.01Å; T99-F103 HydrophobicContact CG2-CE2 4.03Å; T99-F103 WeakPolarHBondContact O-CB 3.36Å; T99-F103 VanDerWaalsContact O-CD2 3.32Å; T99-F103 WeakPolarHBondContact O-CD2 3.44Å; T99-F103 PolarHBondContact O-N 3.34Å
100V95.3Very high93.5Very high0 Ų023.3 Ų23.30%012%0.12CC..Hα-helixtrans-66.9-42-179.8-174.10000111.1L94 I97 I98 L102 F103 Y104 I188 L192 I322 I326L94-V100 HydrophobicContact CB-CG2 3.9Å; L94-V100 HydrophobicContact CD1-CB 4.44Å; L94-V100 HydrophobicContact CD1-CG2 3.89Å; I97-V100 PolarHBondContact O-N 3.37Å; I97-V100 VanDerWaalsContact O-N 3.09Å; I98-V100 VanDerWaalsContact C-N 3.32Å; I98-V100 PolarHBondContact O-N 3.39Å; V100-L102 PolarHBondContact O-N 2.85Å; V100-F103 PolarHBondContact O-N 2.84Å; V100-Y104 PolarHBondContact O-N 3.16Å; V100-I188 HydrophobicContact CG1-CG2 4.47Å; V100-L192 HydrophobicContact CG1-CD1 3.63Å; V100-I322 HydrophobicContact CG1-CG2 4.01Å; V100-I322 HydrophobicContact CG2-CG2 4.21Å; V100-I326 HydrophobicContact CB-CD1 4.08Å; V100-I326 HydrophobicContact CG1-CD1 3.67Å
101E94.4Very high93.8Very high16 Ų1620.1 Ų20.18%0.07510%0.103CC..Hα-helixtrans-62.9-41.9176-64.8-157.8122.400112.3I97 I98 Y104 L105 R184 M334I97-E101 PolarHBondContact O-N 3.07Å; I97-E101 VanDerWaalsContact O-N 3.09Å; I98-E101 PolarHBondContact O-N 2.97Å; E101-Y104 WeakPolarHBondContact O-CB 3.26Å; E101-Y104 PolarHBondContact O-N 3.38Å; E101-L105 WeakPolarHBondContact O-CG 3.38Å; E101-L105 PolarHBondContact O-N 3Å; E101-R184 IonicContact OE1-CZ 2.72Å; E101-R184 IonicContact OE1-NH1 2.59Å; E101-R184 PolarHBondContact OE1-NH1 3.1Å; E101-R184 IonicContact OE1-NH2 3.55Å; E101-R184 PolarHBondContact OE1-NH2 3.23Å; E101-M334 HydrophobicContact CB-CE 4.41Å
102L95.5Very high93.8Very high1 Ų124.1 Ų24.11%0.00512%0.118CC..Hα-helixtrans-67.2-37.2175.7-69.3173.7000112.1L12 F38 L40 F46 F82 I98 T99 V100 Y104 L105 N106L12-L102 HydrophobicContact CB-CD2 4.06Å; L12-L102 HydrophobicContact CD1-CB 4.03Å; L12-L102 HydrophobicContact CD1-CD2 4.07Å; F38-L102 HydrophobicContact CB-CD1 4.21Å; F38-L102 HydrophobicContact CD1-CD1 4.46Å; F38-L102 HydrophobicContact CD1-CD2 3.88Å; F38-L102 HydrophobicContact CD2-CD1 4.43Å; F38-L102 HydrophobicContact CD2-CD2 4.44Å; F38-L102 HydrophobicContact CE1-CD2 3.77Å; F38-L102 HydrophobicContact CE2-CD2 4.34Å; F38-L102 HydrophobicContact CG-CD1 4.12Å; F38-L102 HydrophobicContact CG-CD2 4.22Å; F38-L102 HydrophobicContact CZ-CD2 4.01Å; L40-L102 HydrophobicContact CD1-CD1 4.18Å; L40-L102 HydrophobicContact CD2-CD1 4.17Å; F46-L102 HydrophobicContact CE1-CB 3.78Å; F46-L102 HydrophobicContact CE1-CD1 4.31Å; F46-L102 HydrophobicContact CZ-CB 3.71Å; F46-L102 HydrophobicContact CZ-CD1 4.07Å; F82-L102 HydrophobicContact CE1-CD1 4.36Å; I98-L102 HydrophobicContact CG2-CD1 3.95Å; I98-L102 HydrophobicContact CG2-CG 4.21Å; I98-L102 WeakPolarHBondContact O-CB 3.48Å; I98-L102 VanDerWaalsContact O-CG 3.29Å; I98-L102 WeakPolarHBondContact O-CG 3.49Å; I98-L102 PolarHBondContact O-N 3.32Å; T99-L102 PolarHBondContact O-N 2.87Å; V100-L102 PolarHBondContact O-N 2.85Å; L102-Y104 VanDerWaalsContact C-N 3.34Å; L102-L105 PolarHBondContact O-N 2.86Å; L102-N106 VanDerWaalsContact O-CB 3.26Å; L102-N106 WeakPolarHBondContact O-CB 3.39Å; L102-N106 PolarHBondContact O-N 2.81Å
103F96.8Very high93.7Very high5 Ų527.6 Ų27.62%0.02214%0.136CC..Hα-helixtrans-61.3-41.6170.9-97.3-111.5000111.6F45 F46 V84 L94 T99 V100 N106 A107 L192F45-F103 HydrophobicContact CB-CE2 3.69Å; F45-F103 HydrophobicContact CB-CZ 3.88Å; F45-F103 HydrophobicContact CD1-CZ 4.46Å; F45-F103 AromaticContact CD2-CE2 3.98Å; F45-F103 HydrophobicContact CD2-CE2 3.98Å; F45-F103 HydrophobicContact CD2-CZ 4.41Å; F45-F103 AromaticContact CG-CE2 3.93Å; F45-F103 HydrophobicContact CG-CE2 3.93Å; F45-F103 HydrophobicContact CG-CZ 4.02Å; F46-F103 HydrophobicContact CE1-CD2 4.49Å; F46-F103 HydrophobicContact CE2-CE2 4.3Å; F46-F103 AromaticContact CZ-CD2 3.91Å; F46-F103 HydrophobicContact CZ-CD2 3.91Å; F46-F103 AromaticContact CZ-CE2 4Å; F46-F103 HydrophobicContact CZ-CE2 4Å; V84-F103 HydrophobicContact CG1-CD1 4.44Å; V84-F103 HydrophobicContact CG1-CE1 3.79Å; V84-F103 HydrophobicContact CG1-CE2 4.06Å; V84-F103 HydrophobicContact CG1-CZ 3.58Å; V84-F103 HydrophobicContact CG2-CD1 4.43Å; V84-F103 HydrophobicContact CG2-CD2 3.86Å; V84-F103 HydrophobicContact CG2-CE1 4.47Å; V84-F103 HydrophobicContact CG2-CE2 3.92Å; V84-F103 HydrophobicContact CG2-CG 4.14Å; V84-F103 HydrophobicContact CG2-CZ 4.23Å; L94-F103 HydrophobicContact CD1-CB 4.24Å; L94-F103 HydrophobicContact CD1-CD1 4.17Å; L94-F103 HydrophobicContact CD1-CD2 4.01Å; L94-F103 HydrophobicContact CD1-CE2 4.39Å; L94-F103 HydrophobicContact CD1-CG 3.88Å; L94-F103 HydrophobicContact CD2-CD2 4.39Å; L94-F103 HydrophobicContact CD2-CE2 3.97Å; L94-F103 HydrophobicContact CD2-CZ 4.05Å; T99-F103 HydrophobicContact CG2-CD2 4.01Å; T99-F103 HydrophobicContact CG2-CE2 4.03Å; T99-F103 WeakPolarHBondContact O-CB 3.36Å; T99-F103 VanDerWaalsContact O-CD2 3.32Å; T99-F103 WeakPolarHBondContact O-CD2 3.44Å; T99-F103 PolarHBondContact O-N 3.34Å; V100-F103 PolarHBondContact O-N 2.84Å; F103-N106 PolarHBondContact O-N 3.38Å; F103-A107 VanDerWaalsContact O-CB 3.31Å; F103-A107 WeakPolarHBondContact O-CB 3.29Å; F103-A107 PolarHBondContact O-N 3.43Å; F103-L192 HydrophobicContact CB-CD2 4.37Å
104Y96.5Very high93.6Very high1 Ų127 Ų270%0.00414%0.138CC..Hα-helixtrans-64-45.8175.1161.4-102.6000112.3V100 E101 L102 N106 A107 K108 E133 I188 Y191V100-Y104 PolarHBondContact O-N 3.16Å; E101-Y104 WeakPolarHBondContact O-CB 3.26Å; E101-Y104 PolarHBondContact O-N 3.38Å; L102-Y104 VanDerWaalsContact C-N 3.34Å; Y104-N106 PolarHBondContact O-N 3.41Å; Y104-A107 PolarHBondContact O-N 2.82Å; Y104-K108 WeakPolarHBondContact O-CB 3.29Å; Y104-K108 PolarHBondContact O-N 2.73Å; Y104-E133 HydrophobicContact CE1-CG 3.81Å; Y104-E133 VanDerWaalsContact CE1-OE2 3.29Å; Y104-E133 WeakPolarHBondContact CE1-OE2 3.48Å; Y104-E133 WeakPolarHBondContact OH-CB 3.45Å; Y104-E133 WeakPolarHBondContact OH-CG 3.45Å; Y104-E133 PolarHBondContact OH-OE2 2.62Å; Y104-I188 HydrophobicContact CD1-CD1 4.37Å; Y104-I188 HydrophobicContact CD1-CG1 4.05Å; Y104-I188 HydrophobicContact CD2-CG1 4.21Å; Y104-I188 HydrophobicContact CD2-CG2 4.32Å; Y104-I188 HydrophobicContact CE1-CG1 4.14Å; Y104-I188 HydrophobicContact CE2-CG1 4.32Å; Y104-I188 HydrophobicContact CG-CG1 4.08Å; Y104-I188 HydrophobicContact CG-CG2 4.04Å; Y104-Y191 AromaticContact CD2-CD1 3.77Å; Y104-Y191 HydrophobicContact CD2-CD1 3.77Å; Y104-Y191 HydrophobicContact CD2-CE1 4.46Å; Y104-Y191 AromaticContact CD2-CG 3.85Å; Y104-Y191 HydrophobicContact CD2-CG 3.85Å; Y104-Y191 AromaticContact CE2-CD1 3.91Å; Y104-Y191 HydrophobicContact CE2-CD1 3.91Å; Y104-Y191 AromaticContact CE2-CD2 3.85Å; Y104-Y191 HydrophobicContact CE2-CD2 3.85Å; Y104-Y191 HydrophobicContact CE2-CE1 4.47Å; Y104-Y191 HydrophobicContact CE2-CE2 4.4Å; Y104-Y191 AromaticContact CE2-CG 3.62Å; Y104-Y191 HydrophobicContact CE2-CG 3.62Å
105L95.4Very high93.6Very high17 Ų1732.1 Ų32.19%0.08917%0.165CC..Hα-helixtrans-62.4-42.8176.6-71.1176.2000112L12 D13 E101 L102 K108 S109 M334L12-L105 HydrophobicContact CB-CB 4.17Å; L12-L105 WeakPolarHBondContact O-CB 3.46Å; D13-L105 HydrophobicContact CB-CD1 4.07Å; E101-L105 WeakPolarHBondContact O-CG 3.38Å; E101-L105 PolarHBondContact O-N 3Å; L102-L105 PolarHBondContact O-N 2.86Å; L105-K108 PolarHBondContact O-N 2.94Å; L105-S109 WeakPolarHBondContact O-CB 3.43Å; L105-S109 PolarHBondContact O-N 2.93Å; L105-M334 HydrophobicContact CD1-CE 3.96Å; L105-M334 HydrophobicContact CD1-SD 4.41Å
106N95.8Very high93.6Very high6 Ų626.4 Ų26.43%0.03214%0.14CC..Hα-helixtrans-60.5-46.3172.9178.698.4000111.8L12 V84 Y87 L102 F103 Y104 S109 A110L12-N106 HydrophobicContact CD1-CB 4.18Å; L12-N106 HydrophobicContact CD2-CB 3.75Å; V84-N106 HydrophobicContact CB-CB 4.38Å; V84-N106 HydrophobicContact CG2-CB 3.71Å; V84-N106 PolarHBondContact N-OD1 2.72Å; Y87-N106 PolarHBondContact OH-ND2 2.8Å; L102-N106 VanDerWaalsContact O-CB 3.26Å; L102-N106 WeakPolarHBondContact O-CB 3.39Å; L102-N106 PolarHBondContact O-N 2.81Å; F103-N106 PolarHBondContact O-N 3.38Å; Y104-N106 PolarHBondContact O-N 3.41Å; N106-S109 PolarHBondContact O-N 2.71Å; N106-A110 VanDerWaalsContact O-CB 3.24Å; N106-A110 WeakPolarHBondContact O-CB 3.42Å; N106-A110 PolarHBondContact O-N 3.05Å
107A95.9Very high93.6Very high5 Ų527.8 Ų27.84%0.04115%0.146CC..Hα-helixtrans-61.1-45.6176.900000111.8F103 Y104 S109 A110 V111 Y191 L192 V195F103-A107 VanDerWaalsContact O-CB 3.31Å; F103-A107 WeakPolarHBondContact O-CB 3.29Å; F103-A107 PolarHBondContact O-N 3.43Å; Y104-A107 PolarHBondContact O-N 2.82Å; A107-S109 PolarHBondContact O-N 3.39Å; A107-A110 PolarHBondContact O-N 2.87Å; A107-V111 WeakPolarHBondContact O-CG2 3.29Å; A107-V111 PolarHBondContact O-N 2.73Å; A107-Y191 HydrophobicContact CB-CE1 4.09Å; A107-L192 HydrophobicContact CB-CD2 4.1Å; A107-V195 HydrophobicContact CB-CG1 4.23Å
108K94.9Very high93.6Very high38 Ų3828.1 Ų28.117%0.16515%0.149CC..Hα-helixtrans-57.2-48.6176.3-174.8175.865.5-1770111.9Y104 L105 Y112 A130 Y191Y104-K108 WeakPolarHBondContact O-CB 3.29Å; Y104-K108 PolarHBondContact O-N 2.73Å; L105-K108 PolarHBondContact O-N 2.94Å; K108-Y112 WeakPolarHBondContact O-CB 3.5Å; K108-Y112 PolarHBondContact O-N 2.81Å; K108-A130 HydrophobicContact CD-CB 4.48Å; K108-Y191 WeakPolarHBondContact CA-OH 3.3Å; K108-Y191 HydrophobicContact CB-CE1 4.49Å
109S93.8Very high93.5Very high41 Ų4132 Ų3229%0.28717%0.166SC..Hα-helixtrans-64.7-42176.2-174.60000112.3L105 N106 A107 V111 Y112 N113L105-S109 WeakPolarHBondContact O-CB 3.43Å; L105-S109 PolarHBondContact O-N 2.93Å; N106-S109 PolarHBondContact O-N 2.71Å; A107-S109 PolarHBondContact O-N 3.39Å; S109-V111 PolarHBondContact O-N 3.48Å; S109-Y112 PolarHBondContact O-N 3.36Å; S109-N113 WeakPolarHBondContact O-CB 3.31Å; S109-N113 PolarHBondContact O-N 3.06Å; S109-N113 PolarHBondContact O-ND2 2.7Å; S109-N113 PolarHBondContact OG-ND2 2.84Å
110A93.2Very high93.3Very high7 Ų733 Ų336%0.05817%0.172CC..Hα-helixtrans-68.7-33-179.400000113.3N106 A107 G114 I115 I116N106-A110 VanDerWaalsContact O-CB 3.24Å; N106-A110 WeakPolarHBondContact O-CB 3.42Å; N106-A110 PolarHBondContact O-N 3.05Å; A107-A110 PolarHBondContact O-N 2.87Å; A110-G114 PolarHBondContact O-N 3.17Å; A110-I115 HydrophobicContact CB-CB 4.35Å; A110-I115 WeakPolarHBondContact O-CB 3.32Å; A110-I115 PolarHBondContact O-N 3.02Å; A110-I116 HydrophobicContact CB-CD1 3.8Å; A110-I116 HydrophobicContact CB-CG1 3.92Å; A110-I116 PolarHBondContact O-N 3.26Å; A110-I116 VanDerWaalsContact O-N 3.12Å
111V94.8Very high93.2Very high2 Ų236 Ų361%0.01219%0.186CC..Hα-helixtrans-71-50171.61700000110.6A107 S109 N113 G114 I116 V118 L126 P155 V195A107-V111 WeakPolarHBondContact O-CG2 3.29Å; A107-V111 PolarHBondContact O-N 2.73Å; S109-V111 PolarHBondContact O-N 3.48Å; V111-N113 VanDerWaalsContact C-N 3.33Å; V111-N113 PolarHBondContact O-N 2.74Å; V111-G114 WeakPolarHBondContact O-CA 3.46Å; V111-G114 PolarHBondContact O-N 3Å; V111-I116 HydrophobicContact CG2-CB 4.2Å; V111-I116 HydrophobicContact CG2-CG2 4.33Å; V111-V118 HydrophobicContact CB-CG2 4.44Å; V111-V118 HydrophobicContact CG1-CG2 3.91Å; V111-V118 HydrophobicContact CG2-CG2 3.89Å; V111-L126 HydrophobicContact CG1-CD1 4.16Å; V111-L126 HydrophobicContact CG2-CD1 4.18Å; V111-P155 HydrophobicContact CG1-CG 4.3Å; V111-P155 VanDerWaalsContact O-CG 3.3Å; V111-P155 WeakPolarHBondContact O-CG 3.28Å; V111-V195 HydrophobicContact CG2-CG2 4.12Å
112Y92.8Very high93.2Very high86 Ų8636.7 Ų36.734%0.33719%0.19SC..Hα-helixtrans-57.4-44.2179.6176.4-105.8000112.9K108 S109 G114 P152 L154 P155K108-Y112 WeakPolarHBondContact O-CB 3.5Å; K108-Y112 PolarHBondContact O-N 2.81Å; S109-Y112 PolarHBondContact O-N 3.36Å; Y112-G114 PolarHBondContact O-N 2.79Å; Y112-P152 HydrophobicContact CD1-CB 3.8Å; Y112-P152 HydrophobicContact CD2-CB 3.74Å; Y112-P152 WeakPolarHBondContact CD2-O 3.33Å; Y112-P152 HydrophobicContact CE1-CB 3.73Å; Y112-P152 HydrophobicContact CE2-CB 3.67Å; Y112-P152 HydrophobicContact CG-CB 3.79Å; Y112-L154 WeakPolarHBondContact CE2-O 3.47Å; Y112-P155 WeakPolarHBondContact O-CB 3.48Å
113N90Very high93.3Very high98 Ų9836.8 Ų36.852%0.52419%0.191SC..THydrogen-bonded Turntrans-75.2-3.7176.4-70.5-62.7000113.7S109 V111 I115S109-N113 WeakPolarHBondContact O-CB 3.31Å; S109-N113 PolarHBondContact O-N 3.06Å; S109-N113 PolarHBondContact O-ND2 2.7Å; S109-N113 PolarHBondContact OG-ND2 2.84Å; V111-N113 VanDerWaalsContact C-N 3.33Å; V111-N113 PolarHBondContact O-N 2.74Å; N113-I115 VanDerWaalsContact C-N 3.29Å; N113-I115 HydrophobicContact CB-CD1 4.13Å; N113-I115 HydrophobicContact CB-CG1 4.06Å; N113-I115 PolarHBondContact O-N 2.76Å
114G88.6Confident93.2Very high19 Ų1936.6 Ų36.620%0.19619%0.19CC..THydrogen-bonded Turntrans68.123.7179.100000114.7A110 V111 Y112A110-G114 PolarHBondContact O-N 3.17Å; V111-G114 WeakPolarHBondContact O-CA 3.46Å; V111-G114 PolarHBondContact O-N 3Å; Y112-G114 PolarHBondContact O-N 2.79Å
115I89.4Confident93.2Very high110 Ų11041.1 Ų41.156%0.56421%0.207SC*.SBendtrans-74.4-47.2175-58.4174.4000109.3A110 N113A110-I115 HydrophobicContact CB-CB 4.35Å; A110-I115 WeakPolarHBondContact O-CB 3.32Å; A110-I115 PolarHBondContact O-N 3.02Å; N113-I115 VanDerWaalsContact C-N 3.29Å; N113-I115 HydrophobicContact CB-CD1 4.13Å; N113-I115 HydrophobicContact CB-CG1 4.06Å; N113-I115 PolarHBondContact O-N 2.76Å
116I91.9Very high93.3Very high10 Ų1040.4 Ų40.45%0.05120%0.203CC..SBendtrans-84.2118.6164.6-62.4175.8000106.2A110 V111 V118 V195 L198 T200A110-I116 HydrophobicContact CB-CD1 3.8Å; A110-I116 HydrophobicContact CB-CG1 3.92Å; A110-I116 PolarHBondContact O-N 3.26Å; A110-I116 VanDerWaalsContact O-N 3.12Å; V111-I116 HydrophobicContact CG2-CB 4.2Å; V111-I116 HydrophobicContact CG2-CG2 4.33Å; I116-V118 HydrophobicContact CG2-CG2 4.04Å; I116-V195 HydrophobicContact CD1-CG1 3.82Å; I116-L198 HydrophobicContact CG2-CD1 3.69Å; I116-T200 WeakPolarHBondContact CG2-OG1 3.45Å
117E89.9Confident93.3Very high47 Ų4740.2 Ų40.222%0.2220%0.202CC..  trans-85.6123.2176-54.9-170.5148.200109K157 T200 K233 L234E117-K157 IonicContact OE1-NZ 2.84Å; E117-K157 PolarHBondContact OE1-NZ 3.32Å; E117-T200 HydrophobicContact CB-CG2 4.08Å; E117-T200 PolarHBondContact N-OG1 3.42Å; E117-T200 PolarHBondContact O-OG1 2.89Å; E117-K233 IonicContact OE1-NZ 3.67Å; E117-K233 PolarHBondContact OE1-NZ 3.1Å; E117-L234 HydrophobicContact CB-CD2 4.29Å
118V91.3Very high93.4Very high27 Ų2740 Ų4016%0.16420%0.2CC..  trans-125.1140.3-172.2-165.60000108.5V111 I116 N122 V123 L126 L198V111-V118 HydrophobicContact CB-CG2 4.44Å; V111-V118 HydrophobicContact CG1-CG2 3.91Å; V111-V118 HydrophobicContact CG2-CG2 3.89Å; I116-V118 HydrophobicContact CG2-CG2 4.04Å; V118-N122 HydrophobicContact CG1-CB 3.89Å; V118-V123 HydrophobicContact CB-CG2 3.67Å; V118-V123 HydrophobicContact CG1-CG2 3.83Å; V118-V123 HydrophobicContact CG2-CG2 4.46Å; V118-L126 HydrophobicContact CG1-CD1 4.14Å; V118-L198 HydrophobicContact CB-CD1 4.26Å; V118-L198 HydrophobicContact CG1-CD1 3.95Å; V118-L198 HydrophobicContact CG1-CD2 4.25Å; V118-L198 HydrophobicContact CG2-CD1 3.74Å
119E91.8Very high93.5Very high135 Ų13538.6 Ų38.663%0.63120%0.195SC*.  trans-64.8138.9168.9179.1179.8-149.800110.9E121 N122 V123E119-E121 VanDerWaalsContact C-N 3.32Å; E119-E121 PolarHBondContact O-N 2.9Å; E119-N122 CarbonylContact O-C 3.55Å; E119-N122 WeakPolarHBondContact O-CA 3.37Å; E119-N122 WeakPolarHBondContact O-CB 3.4Å; E119-N122 PolarHBondContact O-N 3.15Å; E119-N122 PolarHBondContact OE2-ND2 2.96Å; E119-N122 VanDerWaalsContact OE2-ND2 3.08Å; E119-V123 PolarHBondContact O-N 3.03Å
120T91.6Very high93.6Very high22 Ų2236.9 Ų36.914%0.13518%0.183CC..Hα-helixtrans-61.5-34-167.9-50.70000114.6N122 V123 F124 V158 E161 H162T120-N122 VanDerWaalsContact C-N 3.29Å; T120-N122 PolarHBondContact O-N 2.88Å; T120-V123 WeakPolarHBondContact O-CB 3.34Å; T120-V123 PolarHBondContact O-N 3.41Å; T120-V123 VanDerWaalsContact O-N 3.16Å; T120-F124 HydrophobicContact CG2-CE1 4.2Å; T120-F124 HydrophobicContact CG2-CE2 3.93Å; T120-F124 HydrophobicContact CG2-CZ 3.62Å; T120-F124 WeakPolarHBondContact O-CD2 3.35Å; T120-F124 PolarHBondContact O-N 3.24Å; T120-F124 VanDerWaalsContact O-N 3.13Å; T120-V158 HydrophobicContact CG2-CB 3.98Å; T120-V158 HydrophobicContact CG2-CG1 3.46Å; T120-V158 VanDerWaalsContact CG2-CG1 3.46Å; T120-V158 HydrophobicContact CG2-CG2 3.53Å; T120-E161 PolarHBondContact OG1-OE2 3.45Å; T120-H162 WeakPolarHBondContact CG2-NE2 3.35Å
121E93.3Very high93.7Very high64 Ų6436.6 Ų36.630%0.29918%0.181SC..Hα-helixtrans-63.9-36.8173.9-171.264.2-171.800112.1E119 F124 R125 Y175E119-E121 VanDerWaalsContact C-N 3.32Å; E119-E121 PolarHBondContact O-N 2.9Å; E121-F124 PolarHBondContact O-N 2.93Å; E121-R125 PolarHBondContact O-N 3.47Å; E121-Y175 VanDerWaalsContact OE1-CE2 3.29Å; E121-Y175 WeakPolarHBondContact OE1-CE2 3.38Å; E121-Y175 VanDerWaalsContact OE1-CZ 3.31Å; E121-Y175 PolarHBondContact OE1-OH 2.85Å
122N95Very high93.7Very high30 Ų3036.7 Ų36.716%0.1618%0.181CC..Hα-helixtrans-75-28.5175.3-71.6-52.3000111.8V118 E119 T120 R125 L126 L194V118-N122 HydrophobicContact CG1-CB 3.89Å; E119-N122 CarbonylContact O-C 3.55Å; E119-N122 WeakPolarHBondContact O-CA 3.37Å; E119-N122 WeakPolarHBondContact O-CB 3.4Å; E119-N122 PolarHBondContact O-N 3.15Å; E119-N122 PolarHBondContact OE2-ND2 2.96Å; E119-N122 VanDerWaalsContact OE2-ND2 3.08Å; T120-N122 VanDerWaalsContact C-N 3.29Å; T120-N122 PolarHBondContact O-N 2.88Å; N122-R125 PolarHBondContact O-N 3.01Å; N122-R125 PolarHBondContact OD1-NH1 2.94Å; N122-L126 WeakPolarHBondContact O-CG 3.42Å; N122-L126 PolarHBondContact O-N 2.82Å; N122-L194 HydrophobicContact CB-CD2 4.14Å
123V95.6Very high93.8Very high2 Ų233.9 Ų33.91%0.01217%0.171CC..Hα-helixtrans-60.7-42.7168174.30000111.5V118 E119 T120 R125 L126 A127 L154 P155 V158V118-V123 HydrophobicContact CB-CG2 3.67Å; V118-V123 HydrophobicContact CG1-CG2 3.83Å; V118-V123 HydrophobicContact CG2-CG2 4.46Å; E119-V123 PolarHBondContact O-N 3.03Å; T120-V123 WeakPolarHBondContact O-CB 3.34Å; T120-V123 PolarHBondContact O-N 3.41Å; T120-V123 VanDerWaalsContact O-N 3.16Å; V123-R125 VanDerWaalsContact C-N 3.32Å; V123-R125 PolarHBondContact O-N 3.2Å; V123-L126 PolarHBondContact O-N 3.3Å; V123-A127 WeakPolarHBondContact O-CB 3.37Å; V123-A127 PolarHBondContact O-N 3.3Å; V123-L154 HydrophobicContact CG1-CD2 4.06Å; V123-P155 VanDerWaalsContact CG1-CD 3.43Å; V123-P155 HydrophobicContact CG1-CG 4.17Å; V123-V158 HydrophobicContact CB-CG2 4.24Å; V123-V158 HydrophobicContact CG1-CG2 4.15Å; V123-V158 HydrophobicContact CG2-CG2 4.04Å
124F95.9Very high94Very high1 Ų131.3 Ų31.30%0.00416%0.163CC..Hα-helixtrans-63.6-38.6178.8-57.6-41.3000112.1T120 E121 A127 A128 L154 V158 C168 R171 V172 Y175T120-F124 HydrophobicContact CG2-CE1 4.2Å; T120-F124 HydrophobicContact CG2-CE2 3.93Å; T120-F124 HydrophobicContact CG2-CZ 3.62Å; T120-F124 WeakPolarHBondContact O-CD2 3.35Å; T120-F124 PolarHBondContact O-N 3.24Å; T120-F124 VanDerWaalsContact O-N 3.13Å; E121-F124 PolarHBondContact O-N 2.93Å; F124-A127 PolarHBondContact O-N 3.46Å; F124-A128 WeakPolarHBondContact O-CB 3.42Å; F124-A128 PolarHBondContact O-N 3.46Å; F124-L154 HydrophobicContact CD1-CD2 4.14Å; F124-L154 HydrophobicContact CE1-CD2 4.37Å; F124-V158 HydrophobicContact CE1-CG1 3.82Å; F124-V158 HydrophobicContact CZ-CG1 4.19Å; F124-C168 HydrophobicContact CE1-CB 3.79Å; F124-C168 HydrophobicContact CZ-CB 4.37Å; F124-R171 HydrophobicContact CB-CB 4.42Å; F124-R171 HydrophobicContact CD1-CB 4.36Å; F124-R171 HydrophobicContact CD2-CB 3.7Å; F124-R171 HydrophobicContact CD2-CG 4.24Å; F124-R171 HydrophobicContact CE2-CB 3.99Å; F124-R171 HydrophobicContact CE2-CG 4.16Å; F124-R171 HydrophobicContact CG-CB 3.92Å; F124-R171 HydrophobicContact CZ-CB 4.45Å; F124-V172 HydrophobicContact CB-CG2 4.06Å; F124-V172 HydrophobicContact CD1-CG2 3.83Å; F124-V172 HydrophobicContact CG-CG2 4.34Å; F124-Y175 HydrophobicContact CB-CD2 4.1Å; F124-Y175 HydrophobicContact CB-CE2 4.4Å
125R96.6Very high94.2Very high96 Ų9635 Ų3536%0.36217%0.174SC..Hα-helixtrans-64.6-40.4173.2-66.2172.1-177.8171.6-2.3112.9E121 N122 V123 A128 N129 Y175 L194E121-R125 PolarHBondContact O-N 3.47Å; N122-R125 PolarHBondContact O-N 3.01Å; N122-R125 PolarHBondContact OD1-NH1 2.94Å; V123-R125 VanDerWaalsContact C-N 3.32Å; V123-R125 PolarHBondContact O-N 3.2Å; R125-A128 PolarHBondContact O-N 3.05Å; R125-N129 PolarHBondContact O-N 2.87Å; R125-N129 PolarHBondContact O-ND2 2.86Å; R125-Y175 HydrophobicContact CG-CD1 3.79Å; R125-Y175 HydrophobicContact CG-CD2 3.95Å; R125-Y175 HydrophobicContact CG-CE1 3.68Å; R125-Y175 HydrophobicContact CG-CE2 3.84Å; R125-Y175 HydrophobicContact CG-CG 3.93Å; R125-Y175 VanDerWaalsContact NE-CZ 3.28Å; R125-Y175 PolarHBondContact NE-OH 3.44Å; R125-Y175 PolarHBondContact NH2-OH 3.36Å; R125-L194 HydrophobicContact CB-CD1 3.9Å
126L97.1Very high94.4Very high2 Ų231.1 Ų31.11%0.0116%0.161CC..Hα-helixtrans-65.7-43.6175-73.2177.8000111.5V111 V118 N122 V123 A128 N129 A130 Y191 L194 V195V111-L126 HydrophobicContact CG1-CD1 4.16Å; V111-L126 HydrophobicContact CG2-CD1 4.18Å; V118-L126 HydrophobicContact CG1-CD1 4.14Å; N122-L126 WeakPolarHBondContact O-CG 3.42Å; N122-L126 PolarHBondContact O-N 2.82Å; V123-L126 PolarHBondContact O-N 3.3Å; L126-A128 VanDerWaalsContact C-N 3.33Å; L126-A128 PolarHBondContact O-N 2.95Å; L126-N129 PolarHBondContact O-N 2.9Å; L126-A130 WeakPolarHBondContact O-CB 3.2Å; L126-A130 PolarHBondContact O-N 2.9Å; L126-Y191 HydrophobicContact CB-CD2 4.12Å; L126-Y191 HydrophobicContact CB-CE2 3.59Å; L126-Y191 HydrophobicContact CD2-CD1 3.87Å; L126-Y191 HydrophobicContact CD2-CD2 3.64Å; L126-Y191 HydrophobicContact CD2-CE1 3.94Å; L126-Y191 HydrophobicContact CD2-CE2 3.73Å; L126-Y191 HydrophobicContact CD2-CG 3.68Å; L126-Y191 WeakPolarHBondContact CD2-O 3.25Å; L126-Y191 HydrophobicContact CG-CD2 4.49Å; L126-Y191 HydrophobicContact CG-CE2 4.18Å; L126-Y191 WeakPolarHBondContact O-CD2 3.39Å; L126-Y191 WeakPolarHBondContact O-CE2 3.49Å; L126-L194 HydrophobicContact CD1-CD2 3.96Å; L126-L194 HydrophobicContact CD2-CB 4.05Å; L126-L194 HydrophobicContact CD2-CD1 3.94Å; L126-L194 HydrophobicContact CD2-CD2 3.84Å; L126-L194 HydrophobicContact CD2-CG 4.15Å; L126-L194 HydrophobicContact CG-CD1 4.07Å; L126-L194 HydrophobicContact CG-CD2 3.84Å; L126-L194 HydrophobicContact CG-CG 4.46Å; L126-V195 HydrophobicContact CD1-CG2 3.82Å; L126-V195 HydrophobicContact CD2-CG2 3.86Å
127A96.5Very high94.5Very high2 Ų233.8 Ų33.82%0.01718%0.175CC..Hα-helixtrans-63-37.6175.700000112.4V123 F124 A130 L131 L154 V172V123-A127 WeakPolarHBondContact O-CB 3.37Å; V123-A127 PolarHBondContact O-N 3.3Å; F124-A127 PolarHBondContact O-N 3.46Å; A127-A130 PolarHBondContact O-N 2.93Å; A127-L131 PolarHBondContact O-N 3.47Å; A127-L154 HydrophobicContact CB-CD2 4.06Å; A127-V172 HydrophobicContact CB-CG1 3.89Å; A127-V172 HydrophobicContact CB-CG2 3.72Å
128A96.9Very high94.8Very high0 Ų034.3 Ų34.30%018%0.175CC..Hα-helixtrans-64.6-42.9173.300000112.5F124 R125 L126 A130 L131 Q132 V172 L179F124-A128 WeakPolarHBondContact O-CB 3.42Å; F124-A128 PolarHBondContact O-N 3.46Å; R125-A128 PolarHBondContact O-N 3.05Å; L126-A128 VanDerWaalsContact C-N 3.33Å; L126-A128 PolarHBondContact O-N 2.95Å; A128-A130 VanDerWaalsContact C-N 3.35Å; A128-A130 PolarHBondContact O-N 2.89Å; A128-L131 WeakPolarHBondContact O-CB 3.46Å; A128-L131 PolarHBondContact O-N 2.88Å; A128-Q132 PolarHBondContact O-N 3.05Å; A128-V172 HydrophobicContact CB-CG1 4.24Å; A128-L179 VanDerWaalsContact C-CD1 3.45Å; A128-L179 HydrophobicContact CB-CD1 3.9Å; A128-L179 WeakPolarHBondContact O-CD1 3.32Å
129N97Very high94.9Very high10 Ų1037.9 Ų37.95%0.05320%0.198CC..Hα-helixtrans-65-37.7174.8-83.6-82.7000112.3R125 L126 L131 Q132 E133 L179 A187 Q190 Y191R125-N129 PolarHBondContact O-N 2.87Å; R125-N129 PolarHBondContact O-ND2 2.86Å; L126-N129 PolarHBondContact O-N 2.9Å; N129-L131 VanDerWaalsContact C-N 3.32Å; N129-L131 PolarHBondContact O-N 2.86Å; N129-Q132 PolarHBondContact O-N 2.99Å; N129-E133 WeakPolarHBondContact O-CB 3.15Å; N129-E133 PolarHBondContact O-N 3.07Å; N129-L179 HydrophobicContact CB-CD1 4.45Å; N129-A187 PolarHBondContact OD1-O 2.72Å; N129-Q190 WeakPolarHBondContact OD1-CB 3.33Å; N129-Q190 PolarHBondContact OD1-OE1 2.78Å; N129-Y191 HydrophobicContact CB-CD2 4.05Å
130A96.1Very high95.1Very high4 Ų432.8 Ų32.83%0.03318%0.177CC..Hα-helixtrans-67.9-28.8174.600000113.1K108 L126 A127 A128 A134 T153 Y191K108-A130 HydrophobicContact CD-CB 4.48Å; L126-A130 WeakPolarHBondContact O-CB 3.2Å; L126-A130 PolarHBondContact O-N 2.9Å; A127-A130 PolarHBondContact O-N 2.93Å; A128-A130 VanDerWaalsContact C-N 3.35Å; A128-A130 PolarHBondContact O-N 2.89Å; A130-A134 VanDerWaalsContact O-CB 3.29Å; A130-A134 WeakPolarHBondContact O-CB 3.33Å; A130-A134 PolarHBondContact O-N 2.98Å; A130-A134 VanDerWaalsContact O-N 3.16Å; A130-T153 HydrophobicContact CB-CG2 3.76Å; A130-Y191 HydrophobicContact CB-CD2 4.44Å; A130-Y191 HydrophobicContact CB-CE2 4.19Å
131L95.3Very high95.2Very high1 Ų133.4 Ų33.41%0.00518%0.179CC..Hα-helixtrans-68-50168-76.7165.8000111.3A127 A128 N129 E133 A134 K135 T144 D147 L148 L151 V172 Y176A127-L131 PolarHBondContact O-N 3.47Å; A128-L131 WeakPolarHBondContact O-CB 3.46Å; A128-L131 PolarHBondContact O-N 2.88Å; N129-L131 VanDerWaalsContact C-N 3.32Å; N129-L131 PolarHBondContact O-N 2.86Å; L131-E133 VanDerWaalsContact C-N 3.26Å; L131-E133 PolarHBondContact O-N 3.43Å; L131-A134 PolarHBondContact O-N 3Å; L131-A134 VanDerWaalsContact O-N 3.16Å; L131-K135 WeakPolarHBondContact O-CA 3.32Å; L131-K135 VanDerWaalsContact O-CB 3.27Å; L131-K135 WeakPolarHBondContact O-CB 3.33Å; L131-K135 PolarHBondContact O-N 3.21Å; L131-T144 HydrophobicContact CD1-CG2 3.67Å; L131-D147 HydrophobicContact CD2-CB 4.42Å; L131-L148 HydrophobicContact CD1-CD1 4.34Å; L131-L148 HydrophobicContact CD1-CD2 3.8Å; L131-L148 HydrophobicContact CD1-CG 3.99Å; L131-L148 HydrophobicContact CD2-CD2 4.21Å; L131-L148 HydrophobicContact CD2-CG 4.27Å; L131-L148 HydrophobicContact CG-CD2 4.07Å; L131-L148 HydrophobicContact CG-CG 4.49Å; L131-L151 HydrophobicContact CD2-CD1 3.91Å; L131-V172 HydrophobicContact CD1-CG1 3.65Å; L131-Y176 HydrophobicContact CB-CD1 4.32Å; L131-Y176 HydrophobicContact CB-CD2 3.94Å; L131-Y176 HydrophobicContact CB-CE1 4.19Å; L131-Y176 HydrophobicContact CB-CE2 3.82Å; L131-Y176 HydrophobicContact CB-CG 4.2Å; L131-Y176 HydrophobicContact CD1-CD1 3.85Å; L131-Y176 HydrophobicContact CD1-CE1 4.23Å; L131-Y176 HydrophobicContact CD1-CG 4.04Å
132Q96.1Very high95.2Very high4 Ų436.2 Ų36.22%0.01919%0.193CC..Hα-helixtrans-58.9-37.6178.7-169.571.619.600111.6A128 N129 G136 D137 Y176 L179 V182 A187A128-Q132 PolarHBondContact O-N 3.05Å; N129-Q132 PolarHBondContact O-N 2.99Å; Q132-G136 VanDerWaalsContact O-CA 3.29Å; Q132-G136 WeakPolarHBondContact O-CA 3.5Å; Q132-G136 PolarHBondContact O-N 3.16Å; Q132-G136 PolarHBondContact OE1-O 3.29Å; Q132-D137 PolarHBondContact NE2-OD1 2.87Å; Q132-Y176 HydrophobicContact CB-CD2 4.46Å; Q132-Y176 HydrophobicContact CB-CE2 4.21Å; Q132-Y176 VanDerWaalsContact OE1-CE2 3.3Å; Q132-L179 HydrophobicContact CB-CB 4.34Å; Q132-L179 HydrophobicContact CB-CD1 4.05Å; Q132-L179 HydrophobicContact CG-CB 4.15Å; Q132-L179 PolarHBondContact NE2-O 3.28Å; Q132-L179 PolarHBondContact OE1-O 3.47Å; Q132-V182 HydrophobicContact CG-CB 4.29Å; Q132-V182 PolarHBondContact NE2-O 2.74Å; Q132-A187 HydrophobicContact CB-CB 3.96Å; Q132-A187 HydrophobicContact CG-CB 3.96Å
133E94.8Very high95.1Very high27 Ų2739 Ų3913%0.12621%0.207CC..Hα-helixtrans-63.9-48173.6-169.7-85.9136.300113Y104 N129 L131 R184 I188Y104-E133 HydrophobicContact CE1-CG 3.81Å; Y104-E133 VanDerWaalsContact CE1-OE2 3.29Å; Y104-E133 WeakPolarHBondContact CE1-OE2 3.48Å; Y104-E133 WeakPolarHBondContact OH-CB 3.45Å; Y104-E133 WeakPolarHBondContact OH-CG 3.45Å; Y104-E133 PolarHBondContact OH-OE2 2.62Å; N129-E133 WeakPolarHBondContact O-CB 3.15Å; N129-E133 PolarHBondContact O-N 3.07Å; L131-E133 VanDerWaalsContact C-N 3.26Å; L131-E133 PolarHBondContact O-N 3.43Å; E133-R184 HydrophobicContact CG-CG 4.09Å; E133-R184 IonicContact OE1-CZ 2.72Å; E133-R184 VanDerWaalsContact OE1-CZ 3.26Å; E133-R184 IonicContact OE1-NE 2.7Å; E133-R184 PolarHBondContact OE1-NE 3.13Å; E133-R184 IonicContact OE1-NH2 2.72Å; E133-R184 PolarHBondContact OE1-NH2 3.18Å; E133-I188 HydrophobicContact CB-CG1 4.4Å; E133-I188 HydrophobicContact CG-CD1 3.63Å; E133-I188 HydrophobicContact CG-CG1 3.45Å; E133-I188 VanDerWaalsContact CG-CG1 3.45Å
134A92.7Very high95Very high44 Ų4439.1 Ų39.136%0.36421%0.208SC..Hα-helixtrans-87.2-15.1-17200000114.6A130 L131 L151A130-A134 VanDerWaalsContact O-CB 3.29Å; A130-A134 WeakPolarHBondContact O-CB 3.33Å; A130-A134 PolarHBondContact O-N 2.98Å; A130-A134 VanDerWaalsContact O-N 3.16Å; L131-A134 PolarHBondContact O-N 3Å; L131-A134 VanDerWaalsContact O-N 3.16Å; A134-L151 HydrophobicContact CB-CD1 4.18Å; A134-L151 HydrophobicContact CB-CD2 4.41Å
135K93.3Very high94.9Very high98 Ų9842.1 Ų42.143%0.42622%0.219SC..Hα-helixtrans-134.2-17.2-170.8-57.4-67.1172.4155.10114.8L131 D147L131-K135 WeakPolarHBondContact O-CA 3.32Å; L131-K135 VanDerWaalsContact O-CB 3.27Å; L131-K135 WeakPolarHBondContact O-CB 3.33Å; L131-K135 PolarHBondContact O-N 3.21Å; K135-D147 WeakPolarHBondContact CD-OD2 3.37Å; K135-D147 VanDerWaalsContact CE-CG 3.41Å; K135-D147 WeakPolarHBondContact CE-OD2 3.5Å; K135-D147 IonicContact NZ-OD1 3.97Å; K135-D147 PolarHBondContact NZ-OD1 2.87Å; K135-D147 IonicContact NZ-OD2 2.8Å; K135-D147 PolarHBondContact NZ-OD2 2.87Å
136G93.3Very high94.7Very high28 Ų2839.5 Ų39.529%0.28922%0.219SC..  trans71.2-155-167.500000111.8Q132 Y176Q132-G136 VanDerWaalsContact O-CA 3.29Å; Q132-G136 WeakPolarHBondContact O-CA 3.5Å; Q132-G136 PolarHBondContact O-N 3.16Å; Q132-G136 PolarHBondContact OE1-O 3.29Å; G136-Y176 VanDerWaalsContact O-CE2 3.32Å; G136-Y176 WeakPolarHBondContact O-CE2 3.37Å; G136-Y176 PolarHBondContact O-OH 2.79Å
137D94.9Very high94.5Very high65 Ų6540.7 Ų40.735%0.34823%0.225SC..SBendtrans-56.5142.1-173.9-82.7-1.2000114.8Q132 T139 Y176 K180 G181Q132-D137 PolarHBondContact NE2-OD1 2.87Å; D137-T139 PolarHBondContact O-N 3.48Å; D137-Y176 PolarHBondContact O-OH 2.87Å; D137-K180 HydrophobicContact CB-CG 4.48Å; D137-K180 WeakPolarHBondContact OD2-CG 3.41Å; D137-G181 PolarHBondContact OD1-N 3.25Å; D137-G181 PolarHBondContact OD2-N 3.1Å
138Y95.6Very high94.2Very high58 Ų5841.2 Ų41.223%0.22723%0.227CC..  trans-51.7135.2169.9165.3-88.5000112.7S140 D141 Y176 K177Y138-S140 VanDerWaalsContact CE2-C 3.42Å; Y138-S140 WeakPolarHBondContact OH-CA 3.38Å; Y138-D141 WeakPolarHBondContact CE2-OD1 3.46Å; Y138-D141 PolarHBondContact OH-N 3.34Å; Y138-D141 PolarHBondContact OH-OD1 2.96Å; Y138-D141 VanDerWaalsContact OH-OD1 3.07Å; Y138-Y176 AromaticContact CD2-CD1 3.81Å; Y138-Y176 HydrophobicContact CD2-CD1 3.81Å; Y138-Y176 HydrophobicContact CD2-CE1 4.03Å; Y138-Y176 HydrophobicContact CG-CD1 4.34Å; Y138-Y176 HydrophobicContact CG-CE1 4.43Å; Y138-K177 HydrophobicContact CD1-CG 3.88Å; Y138-K177 HydrophobicContact CD2-CG 3.93Å; Y138-K177 HydrophobicContact CE1-CG 4.01Å; Y138-K177 HydrophobicContact CE2-CD 4.43Å; Y138-K177 VanDerWaalsContact CE2-CE 3.5Å; Y138-K177 HydrophobicContact CE2-CG 4.03Å; Y138-K177 HydrophobicContact CG-CG 3.85Å; Y138-K177 WeakPolarHBondContact OH-CE 3.36Å
139T94Very high93.8Very high103 Ų10347.6 Ų47.663%0.63226%0.255SS*.  trans-118.2-54.7179.150.60000113.5D137D137-T139 PolarHBondContact O-N 3.48Å
140S95.1Very high93.4Very high28 Ų2854.1 Ų54.120%0.19628%0.283CS..  trans-153.8154.2179.762.80000111.2Y138 E142 N143 T144Y138-S140 VanDerWaalsContact CE2-C 3.42Å; Y138-S140 WeakPolarHBondContact OH-CA 3.38Å; S140-E142 VanDerWaalsContact C-N 3.34Å; S140-E142 PolarHBondContact O-N 3.2Å; S140-N143 VanDerWaalsContact OG-CB 3.3Å; S140-N143 WeakPolarHBondContact OG-CB 3.48Å; S140-N143 PolarHBondContact OG-N 3.46Å; S140-N143 PolarHBondContact OG-ND2 3.22Å; S140-N143 VanDerWaalsContact OG-ND2 3.11Å; S140-T144 PolarHBondContact O-N 3.32Å; S140-T144 PolarHBondContact O-OG1 3.17Å
141D94.4Very high92.9Very high34 Ų3456 Ų5618%0.18229%0.292CS..Hα-helixtrans-65.8-37.2179.5-69.1-21.1000111.7Y138 T144 R145 I173 K177Y138-D141 WeakPolarHBondContact CE2-OD1 3.46Å; Y138-D141 PolarHBondContact OH-N 3.34Å; Y138-D141 PolarHBondContact OH-OD1 2.96Å; Y138-D141 VanDerWaalsContact OH-OD1 3.07Å; D141-T144 PolarHBondContact O-N 2.7Å; D141-R145 WeakPolarHBondContact O-CG 3.41Å; D141-R145 PolarHBondContact O-N 3.21Å; D141-I173 HydrophobicContact CB-CD1 4.09Å; D141-I173 WeakPolarHBondContact OD1-CG2 3.47Å; D141-K177 WeakPolarHBondContact OD1-CE 3.42Å; D141-K177 IonicContact OD1-NZ 3.26Å; D141-K177 PolarHBondContact OD1-NZ 3.08Å; D141-K177 IonicContact OD2-NZ 3.66Å; D141-K177 PolarHBondContact OD2-NZ 2.86Å
142E93.3Very high92.4Very high124 Ų12458.2 Ų58.258%0.57931%0.307SS*.Hα-helixtrans-63.1-49.2-179.9-65.759.6-125.600111.3S140 T144 R145 A146S140-E142 VanDerWaalsContact C-N 3.34Å; S140-E142 PolarHBondContact O-N 3.2Å; E142-T144 VanDerWaalsContact C-N 3.31Å; E142-T144 PolarHBondContact O-N 2.73Å; E142-R145 PolarHBondContact O-N 2.77Å; E142-R145 IonicContact OE1-NH1 3.05Å; E142-A146 WeakPolarHBondContact O-CB 3.27Å; E142-A146 PolarHBondContact O-N 3.08Å
143N92.4Very high91.9Very high88 Ų8858.5 Ų58.547%0.47131%0.309SS..Hα-helixtrans-61.1-40.9173.9-69.3-18.1000111.5S140 A146 D147S140-N143 VanDerWaalsContact OG-CB 3.3Å; S140-N143 WeakPolarHBondContact OG-CB 3.48Å; S140-N143 PolarHBondContact OG-N 3.46Å; S140-N143 PolarHBondContact OG-ND2 3.22Å; S140-N143 VanDerWaalsContact OG-ND2 3.11Å; N143-A146 PolarHBondContact O-N 3.13Å; N143-D147 PolarHBondContact O-N 3.37Å
144T93.8Very high91.7Very high4 Ų458 Ų583%0.02531%0.307CS..Hα-helixtrans-63.8-47.1179.8-54.10000111.2L131 S140 D141 E142 A146 D147 L148 I173 Y176L131-T144 HydrophobicContact CD1-CG2 3.67Å; S140-T144 PolarHBondContact O-N 3.32Å; S140-T144 PolarHBondContact O-OG1 3.17Å; D141-T144 PolarHBondContact O-N 2.7Å; E142-T144 VanDerWaalsContact C-N 3.31Å; E142-T144 PolarHBondContact O-N 2.73Å; T144-A146 VanDerWaalsContact C-N 3.3Å; T144-A146 PolarHBondContact O-N 3.18Å; T144-D147 PolarHBondContact O-N 3Å; T144-L148 HydrophobicContact CG2-CD1 4.23Å; T144-L148 WeakPolarHBondContact O-CB 3.28Å; T144-L148 WeakPolarHBondContact O-CG 3.2Å; T144-L148 PolarHBondContact O-N 3.4Å; T144-I173 HydrophobicContact CG2-CD1 4.24Å; T144-I173 HydrophobicContact CG2-CG1 3.52Å; T144-Y176 HydrophobicContact CG2-CD1 3.64Å; T144-Y176 HydrophobicContact CG2-CE1 3.95Å
145R93.8Very high91.5Very high64 Ų6456.3 Ų56.324%0.24229%0.292CS..Hα-helixtrans-61.5-37.8173.8-64.8-174.3-169.3106.5-3.3111.7D141 E142 D147 K149 E169 D170 I173D141-R145 WeakPolarHBondContact O-CG 3.41Å; D141-R145 PolarHBondContact O-N 3.21Å; E142-R145 PolarHBondContact O-N 2.77Å; E142-R145 IonicContact OE1-NH1 3.05Å; R145-D147 VanDerWaalsContact C-N 3.35Å; R145-K149 VanDerWaalsContact O-CD 3.31Å; R145-K149 WeakPolarHBondContact O-CD 3.43Å; R145-K149 WeakPolarHBondContact O-CG 3.34Å; R145-K149 PolarHBondContact O-N 2.91Å; R145-E169 WeakPolarHBondContact CB-OE2 3.19Å; R145-E169 VanDerWaalsContact CD-OE2 3.27Å; R145-E169 WeakPolarHBondContact CD-OE2 3.5Å; R145-E169 HydrophobicContact CG-CB 4.13Å; R145-E169 HydrophobicContact CG-CG 4.46Å; R145-E169 VanDerWaalsContact CG-OE2 3.26Å; R145-E169 WeakPolarHBondContact CG-OE2 3.48Å; R145-D170 IonicContact CZ-OD1 2.7Å; R145-D170 IonicContact NE-OD1 3.47Å; R145-D170 PolarHBondContact NE-OD1 3.31Å; R145-D170 IonicContact NH2-OD1 2.73Å; R145-D170 PolarHBondContact NH2-OD1 2.87Å; R145-I173 HydrophobicContact CG-CD1 3.76Å
146A92.5Very high91.2Very high42 Ų4255.8 Ų55.835%0.34730%0.297SS..Hα-helixtrans-70-27.7177.700000113.5E142 N143 T144 K150E142-A146 WeakPolarHBondContact O-CB 3.27Å; E142-A146 PolarHBondContact O-N 3.08Å; N143-A146 PolarHBondContact O-N 3.13Å; T144-A146 VanDerWaalsContact C-N 3.3Å; T144-A146 PolarHBondContact O-N 3.18Å; A146-K150 WeakPolarHBondContact O-CE 3.33Å; A146-K150 WeakPolarHBondContact O-CG 3.24Å; A146-K150 PolarHBondContact O-NZ 2.98Å
147D92.5Very high90.9Very high27 Ų2758.8 Ų58.814%0.14430%0.303CS..Hα-helixtrans-90.7-31.8176.9-80.1-28.7000113.4L131 K135 N143 T144 R145 K149 K150 L151L131-D147 HydrophobicContact CD2-CB 4.42Å; K135-D147 WeakPolarHBondContact CD-OD2 3.37Å; K135-D147 VanDerWaalsContact CE-CG 3.41Å; K135-D147 WeakPolarHBondContact CE-OD2 3.5Å; K135-D147 IonicContact NZ-OD1 3.97Å; K135-D147 PolarHBondContact NZ-OD1 2.87Å; K135-D147 IonicContact NZ-OD2 2.8Å; K135-D147 PolarHBondContact NZ-OD2 2.87Å; N143-D147 PolarHBondContact O-N 3.37Å; T144-D147 PolarHBondContact O-N 3Å; R145-D147 VanDerWaalsContact C-N 3.35Å; D147-K149 PolarHBondContact O-N 3.33Å; D147-K150 PolarHBondContact O-N 2.93Å; D147-K150 IonicContact OD1-NZ 2.95Å; D147-K150 PolarHBondContact OD1-NZ 3.46Å; D147-L151 WeakPolarHBondContact O-CG 3.39Å; D147-L151 PolarHBondContact O-N 3.44Å
148L91.3Very high90.5Very high13 Ų1356 Ų567%0.06829%0.287CS..Hα-helixtrans-58-33.4167.2-77.9172.5000112.3L131 T144 K150 L151 E169 V172L131-L148 HydrophobicContact CD1-CD1 4.34Å; L131-L148 HydrophobicContact CD1-CD2 3.8Å; L131-L148 HydrophobicContact CD1-CG 3.99Å; L131-L148 HydrophobicContact CD2-CD2 4.21Å; L131-L148 HydrophobicContact CD2-CG 4.27Å; L131-L148 HydrophobicContact CG-CD2 4.07Å; L131-L148 HydrophobicContact CG-CG 4.49Å; T144-L148 HydrophobicContact CG2-CD1 4.23Å; T144-L148 WeakPolarHBondContact O-CB 3.28Å; T144-L148 WeakPolarHBondContact O-CG 3.2Å; T144-L148 PolarHBondContact O-N 3.4Å; L148-K150 PolarHBondContact O-N 3.42Å; L148-L151 PolarHBondContact O-N 2.86Å; L148-E169 HydrophobicContact CD1-CB 4.4Å; L148-E169 HydrophobicContact CD1-CG 4.22Å; L148-V172 HydrophobicContact CD1-CB 4.06Å; L148-V172 HydrophobicContact CD1-CG1 3.99Å; L148-V172 HydrophobicContact CD2-CG1 4.02Å
149K88.8Confident90.1Very high134 Ų13456.5 Ų56.558%0.58329%0.294SS*.THydrogen-bonded Turntrans-70.2-10.5174.5-73.6162.1-164.51650114.3R145 D147 E169R145-K149 VanDerWaalsContact O-CD 3.31Å; R145-K149 WeakPolarHBondContact O-CD 3.43Å; R145-K149 WeakPolarHBondContact O-CG 3.34Å; R145-K149 PolarHBondContact O-N 2.91Å; D147-K149 PolarHBondContact O-N 3.33Å; K149-E169 WeakPolarHBondContact CE-OE1 3.48Å; K149-E169 IonicContact NZ-OE1 3.3Å; K149-E169 PolarHBondContact NZ-OE1 2.85Å; K149-E169 VanDerWaalsContact NZ-OE1 3.15Å; K149-E169 IonicContact NZ-OE2 3.42Å; K149-E169 PolarHBondContact NZ-OE2 2.97Å; K149-E169 VanDerWaalsContact NZ-OE2 3.13Å
150K88.5Confident89.8Confident146 Ų14659.7 Ų59.764%0.63530%0.299SS*.THydrogen-bonded Turntrans-108-23.4178.2-58.9168.9-161149.60112.9A146 D147 L148A146-K150 WeakPolarHBondContact O-CE 3.33Å; A146-K150 WeakPolarHBondContact O-CG 3.24Å; A146-K150 PolarHBondContact O-NZ 2.98Å; D147-K150 PolarHBondContact O-N 2.93Å; D147-K150 IonicContact OD1-NZ 2.95Å; D147-K150 PolarHBondContact OD1-NZ 3.46Å; L148-K150 PolarHBondContact O-N 3.42Å
151L85.9Confident89.5Confident43 Ų4364.1 Ų64.123%0.22532%0.317CS..SBendtrans-101126.3-173.9-65.9171.9000110.7L131 A134 D147 L148 T153L131-L151 HydrophobicContact CD2-CD1 3.91Å; A134-L151 HydrophobicContact CB-CD1 4.18Å; A134-L151 HydrophobicContact CB-CD2 4.41Å; D147-L151 WeakPolarHBondContact O-CG 3.39Å; D147-L151 PolarHBondContact O-N 3.44Å; L148-L151 PolarHBondContact O-N 2.86Å; L151-T153 VanDerWaalsContact C-N 3.28Å; L151-T153 HydrophobicContact CB-CG2 3.9Å; L151-T153 PolarHBondContact O-N 3.11Å; L151-T153 PolarHBondContact O-OG1 2.97Å
152P84.5Confident89.2Confident48 Ų4865.1 Ų65.131%0.31232%0.32SS..  trans-73.779.9176.130.3-34.3000110.7Y112Y112-P152 HydrophobicContact CD1-CB 3.8Å; Y112-P152 HydrophobicContact CD2-CB 3.74Å; Y112-P152 WeakPolarHBondContact CD2-O 3.33Å; Y112-P152 HydrophobicContact CE1-CB 3.73Å; Y112-P152 HydrophobicContact CE2-CB 3.67Å; Y112-P152 HydrophobicContact CG-CB 3.79Å
153T85.3Confident88.7Confident11 Ų1164.8 Ų64.87%0.06733%0.328CS..  trans-115.8-31.6-175.652.90000114.1A130 L151A130-T153 HydrophobicContact CB-CG2 3.76Å; L151-T153 VanDerWaalsContact C-N 3.28Å; L151-T153 HydrophobicContact CB-CG2 3.9Å; L151-T153 PolarHBondContact O-N 3.11Å; L151-T153 PolarHBondContact O-OG1 2.97Å
154L89.2Confident88.5Confident16 Ų1663.2 Ų63.28%0.08433%0.325CS..SBendtrans-100115.6-178.3-66.4178.3000111.1Y112 V123 F124 A127 L159 C168 V172Y112-L154 WeakPolarHBondContact CE2-O 3.47Å; V123-L154 HydrophobicContact CG1-CD2 4.06Å; F124-L154 HydrophobicContact CD1-CD2 4.14Å; F124-L154 HydrophobicContact CE1-CD2 4.37Å; A127-L154 HydrophobicContact CB-CD2 4.06Å; L154-L159 HydrophobicContact CB-CD1 4.33Å; L154-L159 HydrophobicContact CB-CD2 4.07Å; L154-L159 HydrophobicContact CB-CG 4.24Å; L154-L159 HydrophobicContact CD1-CD2 4.02Å; L154-C168 HydrophobicContact CD1-CB 4.03Å; L154-V172 HydrophobicContact CD2-CG2 4.04Å
155P90.1Very high88.3Confident9 Ų967 Ų676%0.05834%0.344CS..  trans-68.6150.2179.1-17.431.8000112.5V111 Y112 V123 K157 V158 L159V111-P155 HydrophobicContact CG1-CG 4.3Å; V111-P155 VanDerWaalsContact O-CG 3.3Å; V111-P155 WeakPolarHBondContact O-CG 3.28Å; Y112-P155 WeakPolarHBondContact O-CB 3.48Å; V123-P155 VanDerWaalsContact CG1-CD 3.43Å; V123-P155 HydrophobicContact CG1-CG 4.17Å; P155-K157 PolarHBondContact O-N 2.81Å; P155-K157 VanDerWaalsContact O-N 3.1Å; P155-V158 PolarHBondContact O-N 3.23Å; P155-L159 PolarHBondContact O-N 2.85Å
156T87Confident88.1Confident87 Ų8766.3 Ų66.353%0.53435%0.352SS..THydrogen-bonded Turntrans-68.2-10.7-177.164.20000115.3K160T156-K160 WeakPolarHBondContact O-CD 3.31Å; T156-K160 WeakPolarHBondContact O-CG 3.47Å
157K86.1Confident88.1Confident91 Ų9167.7 Ų67.740%0.39635%0.35SS..THydrogen-bonded Turntrans-70.5-57.6168.8-69.8179.8176.4175.70110.5E117 P155 L159 K160 E161E117-K157 IonicContact OE1-NZ 2.84Å; E117-K157 PolarHBondContact OE1-NZ 3.32Å; P155-K157 PolarHBondContact O-N 2.81Å; P155-K157 VanDerWaalsContact O-N 3.1Å; K157-L159 VanDerWaalsContact C-N 3.27Å; K157-L159 PolarHBondContact O-N 3.43Å; K157-K160 WeakPolarHBondContact O-CB 3.5Å; K157-K160 PolarHBondContact O-N 2.96Å; K157-E161 PolarHBondContact O-N 3.09Å
158V87.3Confident88.1Confident5 Ų566.4 Ų66.43%0.0334%0.343CS..Hα-helixtrans-52.3-43.6178.2165.90000112.2T120 V123 F124 P155 K160 E161 H162T120-V158 HydrophobicContact CG2-CB 3.98Å; T120-V158 HydrophobicContact CG2-CG1 3.46Å; T120-V158 VanDerWaalsContact CG2-CG1 3.46Å; T120-V158 HydrophobicContact CG2-CG2 3.53Å; V123-V158 HydrophobicContact CB-CG2 4.24Å; V123-V158 HydrophobicContact CG1-CG2 4.15Å; V123-V158 HydrophobicContact CG2-CG2 4.04Å; F124-V158 HydrophobicContact CE1-CG1 3.82Å; F124-V158 HydrophobicContact CZ-CG1 4.19Å; P155-V158 PolarHBondContact O-N 3.23Å; V158-K160 PolarHBondContact O-N 3.01Å; V158-K160 VanDerWaalsContact O-N 3.13Å; V158-E161 PolarHBondContact O-N 2.91Å; V158-H162 PolarHBondContact O-N 3.21Å
159L86.6Confident88.2Confident69 Ų6966.1 Ų66.136%0.36134%0.342SS..Hα-helixtrans-68.3-6.8179-62.4-179.8000114.8L154 P155 K157 L165 C168L154-L159 HydrophobicContact CB-CD1 4.33Å; L154-L159 HydrophobicContact CB-CD2 4.07Å; L154-L159 HydrophobicContact CB-CG 4.24Å; L154-L159 HydrophobicContact CD1-CD2 4.02Å; P155-L159 PolarHBondContact O-N 2.85Å; K157-L159 VanDerWaalsContact C-N 3.27Å; K157-L159 PolarHBondContact O-N 3.43Å; L159-L165 HydrophobicContact CD2-CD1 3.66Å; L159-C168 HydrophobicContact CD2-CB 4.32Å
160K87.6Confident88.5Confident171 Ų17163 Ų6374%0.74333%0.331SS*.Hα-helixtrans-108.3-23.2174.6-66.9171.5-176.1174.10113.3T156 K157 V158T156-K160 WeakPolarHBondContact O-CD 3.31Å; T156-K160 WeakPolarHBondContact O-CG 3.47Å; K157-K160 WeakPolarHBondContact O-CB 3.5Å; K157-K160 PolarHBondContact O-N 2.96Å; V158-K160 PolarHBondContact O-N 3.01Å; V158-K160 VanDerWaalsContact O-N 3.13Å
161E88.8Confident88.9Confident121 Ų12160.2 Ų60.257%0.56532%0.317SS*.Hα-helixtrans-80.7-25-180-71.4161.1-161.800112.2T120 K157 V158T120-E161 PolarHBondContact OG1-OE2 3.45Å; K157-E161 PolarHBondContact O-N 3.09Å; V158-E161 PolarHBondContact O-N 2.91Å
162H87.5Confident89.4Confident55 Ų5558.2 Ų58.226%0.25531%0.306SS..SBendtrans-102.1152.1-177.1-76.6-77.7000113.8T120 V158 S164 F167T120-H162 WeakPolarHBondContact CG2-NE2 3.35Å; V158-H162 PolarHBondContact O-N 3.21Å; H162-S164 VanDerWaalsContact C-N 3.29Å; H162-S164 PolarHBondContact O-N 2.95Å; H162-F167 HydrophobicContact CB-CD1 4.08Å; H162-F167 AromaticContact CE1-CE1 3.77Å; H162-F167 AromaticContact CG-CD1 3.99Å; H162-F167 AromaticContact CG-CE1 3.98Å; H162-F167 AromaticContact ND1-CD1 3.59Å; H162-F167 AromaticContact ND1-CE1 3.18Å; H162-F167 WeakPolarHBondContact ND1-CE1 3.48Å
163P83.1Confident89.9Confident116 Ų11656.1 Ų56.175%0.75329%0.292SS*.SBendtrans-70-18.8-168.727.3-36.4000114.9F167P163-F167 HydrophobicContact CG-CG 4.43Å
164S88.4Confident90.5Very high56 Ų5659.8 Ų59.839%0.39231%0.309SS..  trans-160.1157.2173.671.90000111.9H162 A166 F167 C168H162-S164 VanDerWaalsContact C-N 3.29Å; H162-S164 PolarHBondContact O-N 2.95Å; S164-A166 PolarHBondContact O-N 3.19Å; S164-A166 PolarHBondContact OG-N 2.84Å; S164-F167 PolarHBondContact O-N 2.86Å; S164-F167 PolarHBondContact OG-N 3.49Å; S164-C168 PolarHBondContact O-N 2.96Å
165L88.9Confident90.8Very high84 Ų8460.6 Ų60.644%0.4431%0.311SS..Hα-helixtrans-59.7-37.4169174.863.4000111.6L159 F167 C168 E169L159-L165 HydrophobicContact CD2-CD1 3.66Å; L165-F167 VanDerWaalsContact C-N 3.33Å; L165-F167 PolarHBondContact O-N 2.95Å; L165-C168 WeakPolarHBondContact O-CB 3.33Å; L165-C168 PolarHBondContact O-N 2.73Å; L165-C168 VanDerWaalsContact O-N 3.12Å; L165-E169 HydrophobicContact CD1-CG 4.32Å; L165-E169 WeakPolarHBondContact CD2-OE1 3.43Å; L165-E169 HydrophobicContact CG-CG 4.3Å; L165-E169 WeakPolarHBondContact CG-OE1 3.46Å; L165-E169 WeakPolarHBondContact O-CG 3.49Å; L165-E169 PolarHBondContact O-N 2.97Å
166A89.9Confident91.2Very high48 Ų4860.6 Ų60.640%0.39731%0.31SS..Hα-helixtrans-60.5-40.7178.500000112.1S164 C168 E169 D170S164-A166 PolarHBondContact O-N 3.19Å; S164-A166 PolarHBondContact OG-N 2.84Å; A166-C168 VanDerWaalsContact C-N 3.31Å; A166-C168 PolarHBondContact O-N 3.24Å; A166-E169 PolarHBondContact O-N 2.99Å; A166-D170 WeakPolarHBondContact O-CB 3.38Å; A166-D170 PolarHBondContact O-N 2.86Å
167F92.4Very high91.6Very high71 Ų7160.6 Ų60.631%0.31130%0.303SS..Hα-helixtrans-58.7-42.5173.8175.8-86000112H162 P163 S164 L165 R171H162-F167 HydrophobicContact CB-CD1 4.08Å; H162-F167 AromaticContact CE1-CE1 3.77Å; H162-F167 AromaticContact CG-CD1 3.99Å; H162-F167 AromaticContact CG-CE1 3.98Å; H162-F167 AromaticContact ND1-CD1 3.59Å; H162-F167 AromaticContact ND1-CE1 3.18Å; H162-F167 WeakPolarHBondContact ND1-CE1 3.48Å; P163-F167 HydrophobicContact CG-CG 4.43Å; S164-F167 PolarHBondContact O-N 2.86Å; S164-F167 PolarHBondContact OG-N 3.49Å; L165-F167 VanDerWaalsContact C-N 3.33Å; L165-F167 PolarHBondContact O-N 2.95Å; F167-R171 HydrophobicContact CD1-CG 4.43Å; F167-R171 HydrophobicContact CE1-CG 3.97Å; F167-R171 HydrophobicContact CZ-CG 4.06Å; F167-R171 WeakPolarHBondContact O-CG 3.44Å; F167-R171 PolarHBondContact O-N 3.43Å; F167-R171 VanDerWaalsContact O-N 3.08Å
168C92.9Very high92.1Very high0 Ų062.4 Ų62.40%031%0.312CS..Hα-helixtrans-67.3-43175.9-62.50000112F124 L154 L159 S164 L165 A166 R171 V172F124-C168 HydrophobicContact CE1-CB 3.79Å; F124-C168 HydrophobicContact CZ-CB 4.37Å; L154-C168 HydrophobicContact CD1-CB 4.03Å; L159-C168 HydrophobicContact CD2-CB 4.32Å; S164-C168 PolarHBondContact O-N 2.96Å; L165-C168 WeakPolarHBondContact O-CB 3.33Å; L165-C168 PolarHBondContact O-N 2.73Å; L165-C168 VanDerWaalsContact O-N 3.12Å; A166-C168 VanDerWaalsContact C-N 3.31Å; A166-C168 PolarHBondContact O-N 3.24Å; C168-R171 PolarHBondContact O-N 2.83Å; C168-V172 WeakPolarHBondContact O-CG2 3.29Å; C168-V172 PolarHBondContact O-N 2.93Å; C168-V172 VanDerWaalsContact O-N 3.07Å
169E93.9Very high92.6Very high8 Ų863 Ų634%0.03732%0.315CS..Hα-helixtrans-58.3-46.8175-75.3175-168.500111.4R145 L148 K149 L165 A166 V172 I173R145-E169 WeakPolarHBondContact CB-OE2 3.19Å; R145-E169 VanDerWaalsContact CD-OE2 3.27Å; R145-E169 WeakPolarHBondContact CD-OE2 3.5Å; R145-E169 HydrophobicContact CG-CB 4.13Å; R145-E169 HydrophobicContact CG-CG 4.46Å; R145-E169 VanDerWaalsContact CG-OE2 3.26Å; R145-E169 WeakPolarHBondContact CG-OE2 3.48Å; L148-E169 HydrophobicContact CD1-CB 4.4Å; L148-E169 HydrophobicContact CD1-CG 4.22Å; K149-E169 WeakPolarHBondContact CE-OE1 3.48Å; K149-E169 IonicContact NZ-OE1 3.3Å; K149-E169 PolarHBondContact NZ-OE1 2.85Å; K149-E169 VanDerWaalsContact NZ-OE1 3.15Å; K149-E169 IonicContact NZ-OE2 3.42Å; K149-E169 PolarHBondContact NZ-OE2 2.97Å; K149-E169 VanDerWaalsContact NZ-OE2 3.13Å; L165-E169 HydrophobicContact CD1-CG 4.32Å; L165-E169 WeakPolarHBondContact CD2-OE1 3.43Å; L165-E169 HydrophobicContact CG-CG 4.3Å; L165-E169 WeakPolarHBondContact CG-OE1 3.46Å; L165-E169 WeakPolarHBondContact O-CG 3.49Å; L165-E169 PolarHBondContact O-N 2.97Å; A166-E169 PolarHBondContact O-N 2.99Å; E169-V172 PolarHBondContact O-N 3.03Å; E169-I173 WeakPolarHBondContact O-CB 3.3Å; E169-I173 WeakPolarHBondContact O-CD1 3.05Å; E169-I173 WeakPolarHBondContact O-CG1 3.17Å; E169-I173 PolarHBondContact O-N 2.81Å
170D94.8Very high93Very high67 Ų6766.8 Ų66.836%0.35833%0.329SS..Hα-helixtrans-67.5-36.6-178-66.6-19.8000112.3R145 A166 I173 E174R145-D170 IonicContact CZ-OD1 2.7Å; R145-D170 IonicContact NE-OD1 3.47Å; R145-D170 PolarHBondContact NE-OD1 3.31Å; R145-D170 IonicContact NH2-OD1 2.73Å; R145-D170 PolarHBondContact NH2-OD1 2.87Å; A166-D170 WeakPolarHBondContact O-CB 3.38Å; A166-D170 PolarHBondContact O-N 2.86Å; D170-I173 WeakPolarHBondContact O-CB 3.33Å; D170-I173 PolarHBondContact O-N 2.65Å; D170-E174 PolarHBondContact O-N 2.88Å
171R95.8Very high93.3Very high89 Ų8961.4 Ų61.434%0.33632%0.322SS..Hα-helixtrans-67.7-38172.3-74.9-58.1-162.6-178.77.6113.2F124 F167 C168 I173 E174 Y175F124-R171 HydrophobicContact CB-CB 4.42Å; F124-R171 HydrophobicContact CD1-CB 4.36Å; F124-R171 HydrophobicContact CD2-CB 3.7Å; F124-R171 HydrophobicContact CD2-CG 4.24Å; F124-R171 HydrophobicContact CE2-CB 3.99Å; F124-R171 HydrophobicContact CE2-CG 4.16Å; F124-R171 HydrophobicContact CG-CB 3.92Å; F124-R171 HydrophobicContact CZ-CB 4.45Å; F167-R171 HydrophobicContact CD1-CG 4.43Å; F167-R171 HydrophobicContact CE1-CG 3.97Å; F167-R171 HydrophobicContact CZ-CG 4.06Å; F167-R171 WeakPolarHBondContact O-CG 3.44Å; F167-R171 PolarHBondContact O-N 3.43Å; F167-R171 VanDerWaalsContact O-N 3.08Å; C168-R171 PolarHBondContact O-N 2.83Å; R171-I173 VanDerWaalsContact C-N 3.33Å; R171-E174 VanDerWaalsContact CD-OE2 3.24Å; R171-E174 WeakPolarHBondContact CD-OE2 3.5Å; R171-E174 IonicContact CZ-OE2 2.6Å; R171-E174 IonicContact NE-OE2 3.63Å; R171-E174 IonicContact NH1-OE1 3.27Å; R171-E174 PolarHBondContact NH1-OE1 3.36Å; R171-E174 IonicContact NH1-OE2 2.65Å; R171-E174 PolarHBondContact NH1-OE2 2.93Å; R171-E174 PolarHBondContact O-N 3.01Å; R171-Y175 WeakPolarHBondContact O-CD2 3.25Å; R171-Y175 PolarHBondContact O-N 3.46Å
172V96.4Very high93.6Very high0 Ų056.8 Ų56.80%030%0.302CS..Hα-helixtrans-66.7-39.5173.4176.80000110.9F124 A127 A128 L131 L148 L154 C168 E169 Y175 Y176F124-V172 HydrophobicContact CB-CG2 4.06Å; F124-V172 HydrophobicContact CD1-CG2 3.83Å; F124-V172 HydrophobicContact CG-CG2 4.34Å; A127-V172 HydrophobicContact CB-CG1 3.89Å; A127-V172 HydrophobicContact CB-CG2 3.72Å; A128-V172 HydrophobicContact CB-CG1 4.24Å; L131-V172 HydrophobicContact CD1-CG1 3.65Å; L148-V172 HydrophobicContact CD1-CB 4.06Å; L148-V172 HydrophobicContact CD1-CG1 3.99Å; L148-V172 HydrophobicContact CD2-CG1 4.02Å; L154-V172 HydrophobicContact CD2-CG2 4.04Å; C168-V172 WeakPolarHBondContact O-CG2 3.29Å; C168-V172 PolarHBondContact O-N 2.93Å; C168-V172 VanDerWaalsContact O-N 3.07Å; E169-V172 PolarHBondContact O-N 3.03Å; V172-Y175 PolarHBondContact O-N 3.47Å; V172-Y176 VanDerWaalsContact O-CB 3.28Å; V172-Y176 WeakPolarHBondContact O-CB 3.33Å; V172-Y176 PolarHBondContact O-N 2.81Å
173I96.4Very high94Very high4 Ų455.6 Ų55.62%0.02130%0.3CS..Hα-helixtrans-59.3-44.1174-82.1164000112D141 T144 R145 E169 D170 R171 Y175 Y176 K177D141-I173 HydrophobicContact CB-CD1 4.09Å; D141-I173 WeakPolarHBondContact OD1-CG2 3.47Å; T144-I173 HydrophobicContact CG2-CD1 4.24Å; T144-I173 HydrophobicContact CG2-CG1 3.52Å; R145-I173 HydrophobicContact CG-CD1 3.76Å; E169-I173 WeakPolarHBondContact O-CB 3.3Å; E169-I173 WeakPolarHBondContact O-CD1 3.05Å; E169-I173 WeakPolarHBondContact O-CG1 3.17Å; E169-I173 PolarHBondContact O-N 2.81Å; D170-I173 WeakPolarHBondContact O-CB 3.33Å; D170-I173 PolarHBondContact O-N 2.65Å; R171-I173 VanDerWaalsContact C-N 3.33Å; I173-Y175 VanDerWaalsContact C-N 3.32Å; I173-Y175 PolarHBondContact O-N 3.36Å; I173-Y176 PolarHBondContact O-N 3.31Å; I173-K177 HydrophobicContact CG2-CD 3.94Å; I173-K177 WeakPolarHBondContact O-CB 3.25Å; I173-K177 WeakPolarHBondContact O-CG 3.3Å; I173-K177 PolarHBondContact O-N 3.39Å
174E96.6Very high94.6Very high88 Ų8853 Ų5341%0.41128%0.275SS..Hα-helixtrans-58.5-41.6177.8-176.2179.1-169.700112.1D170 R171 Q178D170-E174 PolarHBondContact O-N 2.88Å; R171-E174 VanDerWaalsContact CD-OE2 3.24Å; R171-E174 WeakPolarHBondContact CD-OE2 3.5Å; R171-E174 IonicContact CZ-OE2 2.6Å; R171-E174 IonicContact NE-OE2 3.63Å; R171-E174 IonicContact NH1-OE1 3.27Å; R171-E174 PolarHBondContact NH1-OE1 3.36Å; R171-E174 IonicContact NH1-OE2 2.65Å; R171-E174 PolarHBondContact NH1-OE2 2.93Å; R171-E174 PolarHBondContact O-N 3.01Å; E174-Q178 WeakPolarHBondContact O-CG 3.34Å; E174-Q178 PolarHBondContact O-NE2 2.9Å
175Y97Very high94.9Very high34 Ų3450.3 Ų50.313%0.13326%0.256CS..Hα-helixtrans-74.4-41.1173.7-79.6-64.9000113.1E121 F124 R125 R171 V172 I173 K177 Q178 L179E121-Y175 VanDerWaalsContact OE1-CE2 3.29Å; E121-Y175 WeakPolarHBondContact OE1-CE2 3.38Å; E121-Y175 VanDerWaalsContact OE1-CZ 3.31Å; E121-Y175 PolarHBondContact OE1-OH 2.85Å; F124-Y175 HydrophobicContact CB-CD2 4.1Å; F124-Y175 HydrophobicContact CB-CE2 4.4Å; R125-Y175 HydrophobicContact CG-CD1 3.79Å; R125-Y175 HydrophobicContact CG-CD2 3.95Å; R125-Y175 HydrophobicContact CG-CE1 3.68Å; R125-Y175 HydrophobicContact CG-CE2 3.84Å; R125-Y175 HydrophobicContact CG-CG 3.93Å; R125-Y175 VanDerWaalsContact NE-CZ 3.28Å; R125-Y175 PolarHBondContact NE-OH 3.44Å; R125-Y175 PolarHBondContact NH2-OH 3.36Å; R171-Y175 WeakPolarHBondContact O-CD2 3.25Å; R171-Y175 PolarHBondContact O-N 3.46Å; V172-Y175 PolarHBondContact O-N 3.47Å; I173-Y175 VanDerWaalsContact C-N 3.32Å; I173-Y175 PolarHBondContact O-N 3.36Å; Y175-K177 VanDerWaalsContact C-N 3.29Å; Y175-K177 PolarHBondContact O-N 2.82Å; Y175-Q178 WeakPolarHBondContact O-CA 3.44Å; Y175-Q178 WeakPolarHBondContact O-CB 3.45Å; Y175-Q178 PolarHBondContact O-N 3.12Å; Y175-L179 PolarHBondContact O-N 2.93Å
176Y97.1Very high95.3Very high8 Ų848.7 Ų48.73%0.03125%0.247CC..Hα-helixtrans-63.3-34.8-179.2-178.7-142.8000112.2L131 Q132 G136 D137 Y138 T144 V172 I173 Q178 L179L131-Y176 HydrophobicContact CB-CD1 4.32Å; L131-Y176 HydrophobicContact CB-CD2 3.94Å; L131-Y176 HydrophobicContact CB-CE1 4.19Å; L131-Y176 HydrophobicContact CB-CE2 3.82Å; L131-Y176 HydrophobicContact CB-CG 4.2Å; L131-Y176 HydrophobicContact CD1-CD1 3.85Å; L131-Y176 HydrophobicContact CD1-CE1 4.23Å; L131-Y176 HydrophobicContact CD1-CG 4.04Å; Q132-Y176 HydrophobicContact CB-CD2 4.46Å; Q132-Y176 HydrophobicContact CB-CE2 4.21Å; Q132-Y176 VanDerWaalsContact OE1-CE2 3.3Å; G136-Y176 VanDerWaalsContact O-CE2 3.32Å; G136-Y176 WeakPolarHBondContact O-CE2 3.37Å; G136-Y176 PolarHBondContact O-OH 2.79Å; D137-Y176 PolarHBondContact O-OH 2.87Å; Y138-Y176 AromaticContact CD2-CD1 3.81Å; Y138-Y176 HydrophobicContact CD2-CD1 3.81Å; Y138-Y176 HydrophobicContact CD2-CE1 4.03Å; Y138-Y176 HydrophobicContact CG-CD1 4.34Å; Y138-Y176 HydrophobicContact CG-CE1 4.43Å; T144-Y176 HydrophobicContact CG2-CD1 3.64Å; T144-Y176 HydrophobicContact CG2-CE1 3.95Å; V172-Y176 VanDerWaalsContact O-CB 3.28Å; V172-Y176 WeakPolarHBondContact O-CB 3.33Å; V172-Y176 PolarHBondContact O-N 2.81Å; I173-Y176 PolarHBondContact O-N 3.31Å; Y176-Q178 PolarHBondContact O-N 2.7Å; Y176-L179 PolarHBondContact O-N 3.14Å; Y176-L179 VanDerWaalsContact O-N 3.14Å
177K96.8Very high95.6Very high88 Ų8846.4 Ų46.438%0.38323%0.228SC..THydrogen-bonded Turntrans-60.3-24171.1-76.4165.8177.3165.50113.7Y138 D141 I173 Y175Y138-K177 HydrophobicContact CD1-CG 3.88Å; Y138-K177 HydrophobicContact CD2-CG 3.93Å; Y138-K177 HydrophobicContact CE1-CG 4.01Å; Y138-K177 HydrophobicContact CE2-CD 4.43Å; Y138-K177 VanDerWaalsContact CE2-CE 3.5Å; Y138-K177 HydrophobicContact CE2-CG 4.03Å; Y138-K177 HydrophobicContact CG-CG 3.85Å; Y138-K177 WeakPolarHBondContact OH-CE 3.36Å; D141-K177 WeakPolarHBondContact OD1-CE 3.42Å; D141-K177 IonicContact OD1-NZ 3.26Å; D141-K177 PolarHBondContact OD1-NZ 3.08Å; D141-K177 IonicContact OD2-NZ 3.66Å; D141-K177 PolarHBondContact OD2-NZ 2.86Å; I173-K177 HydrophobicContact CG2-CD 3.94Å; I173-K177 WeakPolarHBondContact O-CB 3.25Å; I173-K177 WeakPolarHBondContact O-CG 3.3Å; I173-K177 PolarHBondContact O-N 3.39Å; Y175-K177 VanDerWaalsContact C-N 3.29Å; Y175-K177 PolarHBondContact O-N 2.82Å
178Q96.8Very high95.8Very high128 Ų12843 Ų4360%0.59821%0.213SC*.THydrogen-bonded Turntrans-86.1-19177.8-59.7166.546.200113E174 Y175 Y176 K180E174-Q178 WeakPolarHBondContact O-CG 3.34Å; E174-Q178 PolarHBondContact O-NE2 2.9Å; Y175-Q178 WeakPolarHBondContact O-CA 3.44Å; Y175-Q178 WeakPolarHBondContact O-CB 3.45Å; Y175-Q178 PolarHBondContact O-N 3.12Å; Y176-Q178 PolarHBondContact O-N 2.7Å; Q178-K180 VanDerWaalsContact C-N 3.25Å; Q178-K180 PolarHBondContact O-N 3.33Å
179L96.2Very high96Very high18 Ų1843.6 Ų43.69%0.09422%0.216CC..  trans-84.28-179.7-60.5178.4000113.7A128 N129 Q132 Y175 Y176 G181 V182A128-L179 VanDerWaalsContact C-CD1 3.45Å; A128-L179 HydrophobicContact CB-CD1 3.9Å; A128-L179 WeakPolarHBondContact O-CD1 3.32Å; N129-L179 HydrophobicContact CB-CD1 4.45Å; Q132-L179 HydrophobicContact CB-CB 4.34Å; Q132-L179 HydrophobicContact CB-CD1 4.05Å; Q132-L179 HydrophobicContact CG-CB 4.15Å; Q132-L179 PolarHBondContact NE2-O 3.28Å; Q132-L179 PolarHBondContact OE1-O 3.47Å; Y175-L179 PolarHBondContact O-N 2.93Å; Y176-L179 PolarHBondContact O-N 3.14Å; Y176-L179 VanDerWaalsContact O-N 3.14Å; L179-G181 PolarHBondContact O-N 3.22Å; L179-V182 HydrophobicContact CB-CB 4.48Å; L179-V182 HydrophobicContact CB-CG2 4.3Å; L179-V182 HydrophobicContact CD2-CG2 4.33Å; L179-V182 WeakPolarHBondContact O-CB 3.45Å; L179-V182 VanDerWaalsContact O-CG2 3.25Å; L179-V182 WeakPolarHBondContact O-CG2 3.41Å; L179-V182 PolarHBondContact O-N 3.1Å
180K95.1Very high96.1Very high148 Ų14846.7 Ų46.764%0.64323%0.231SC*.THydrogen-bonded Turntrans-61.3123.9-177.9-174176.4-180171.80111.7D137 Q178D137-K180 HydrophobicContact CB-CG 4.48Å; D137-K180 WeakPolarHBondContact OD2-CG 3.41Å; Q178-K180 VanDerWaalsContact C-N 3.25Å; Q178-K180 PolarHBondContact O-N 3.33Å
181G93.8Very high96.3Very high58 Ų5843.8 Ų43.860%0.59822%0.215SC*.THydrogen-bonded Turntrans88.1-4.4-175.500000114.6D137 L179D137-G181 PolarHBondContact OD1-N 3.25Å; D137-G181 PolarHBondContact OD2-N 3.1Å; L179-G181 PolarHBondContact O-N 3.22Å
182V96.3Very high96.3Very high25 Ų2539.8 Ų39.815%0.15220%0.2CC..  trans-71.9127.6172.9177.60000109Q132 L179 Q186 A187Q132-V182 HydrophobicContact CG-CB 4.29Å; Q132-V182 PolarHBondContact NE2-O 2.74Å; L179-V182 HydrophobicContact CB-CB 4.48Å; L179-V182 HydrophobicContact CB-CG2 4.3Å; L179-V182 HydrophobicContact CD2-CG2 4.33Å; L179-V182 WeakPolarHBondContact O-CB 3.45Å; L179-V182 VanDerWaalsContact O-CG2 3.25Å; L179-V182 WeakPolarHBondContact O-CG2 3.41Å; L179-V182 PolarHBondContact O-N 3.1Å; V182-Q186 HydrophobicContact CG1-CB 3.56Å; V182-A187 HydrophobicContact CG1-CB 4.26Å
183S95.7Very high96.3Very high30 Ų3041.8 Ų41.821%0.2121%0.212CC..  trans-69.8161.6-179.381.80000112.3G185 Q186 A187 T327S183-G185 VanDerWaalsContact C-N 3.3Å; S183-G185 PolarHBondContact O-N 2.85Å; S183-Q186 PolarHBondContact O-N 3.3Å; S183-Q186 VanDerWaalsContact O-N 3.15Å; S183-Q186 WeakPolarHBondContact OG-CB 3.3Å; S183-Q186 VanDerWaalsContact OG-CG 3.25Å; S183-Q186 WeakPolarHBondContact OG-CG 3.24Å; S183-Q186 PolarHBondContact OG-N 3Å; S183-Q186 VanDerWaalsContact OG-N 3.08Å; S183-A187 PolarHBondContact O-N 2.79Å; S183-T327 WeakPolarHBondContact CB-OG1 3.27Å; S183-T327 PolarHBondContact OG-OG1 3.13Å
184R95.1Very high96.3Very high60 Ų6043 Ų4323%0.22622%0.219CC..Hα-helixtrans-55.2-45.3176.8179.2177.8172.2-93.6-6.7112E101 E133 A187 I188E101-R184 IonicContact OE1-CZ 2.72Å; E101-R184 IonicContact OE1-NH1 2.59Å; E101-R184 PolarHBondContact OE1-NH1 3.1Å; E101-R184 IonicContact OE1-NH2 3.55Å; E101-R184 PolarHBondContact OE1-NH2 3.23Å; E133-R184 HydrophobicContact CG-CG 4.09Å; E133-R184 IonicContact OE1-CZ 2.72Å; E133-R184 VanDerWaalsContact OE1-CZ 3.26Å; E133-R184 IonicContact OE1-NE 2.7Å; E133-R184 PolarHBondContact OE1-NE 3.13Å; E133-R184 IonicContact OE1-NH2 2.72Å; E133-R184 PolarHBondContact OE1-NH2 3.18Å; R184-A187 PolarHBondContact O-N 2.89Å; R184-I188 HydrophobicContact CG-CD1 4.19Å; R184-I188 WeakPolarHBondContact O-CG1 3.29Å; R184-I188 PolarHBondContact O-N 2.78Å
185G95.7Very high96.3Very high0 Ų038.9 Ų38.90%020%0.199CC..Hα-helixtrans-70.4-35.2178.300000112.9S183 I188 V189 A323 T327S183-G185 VanDerWaalsContact C-N 3.3Å; S183-G185 PolarHBondContact O-N 2.85Å; G185-I188 PolarHBondContact O-N 2.9Å; G185-V189 WeakPolarHBondContact O-CB 3.47Å; G185-V189 WeakPolarHBondContact O-CG2 3.28Å; G185-V189 PolarHBondContact O-N 3.44Å; G185-A323 WeakPolarHBondContact CA-O 3.39Å; G185-T327 WeakPolarHBondContact CA-OG1 3.39Å; G185-T327 PolarHBondContact N-OG1 3.38Å
186Q96.5Very high96.2Very high51 Ų5139.1 Ų39.124%0.23820%0.202CC..Hα-helixtrans-63.9-40.5172.6-73.3170.9-15.100111.1V182 S183 V189 Q190 E320 A323V182-Q186 HydrophobicContact CG1-CB 3.56Å; S183-Q186 PolarHBondContact O-N 3.3Å; S183-Q186 VanDerWaalsContact O-N 3.15Å; S183-Q186 WeakPolarHBondContact OG-CB 3.3Å; S183-Q186 VanDerWaalsContact OG-CG 3.25Å; S183-Q186 WeakPolarHBondContact OG-CG 3.24Å; S183-Q186 PolarHBondContact OG-N 3Å; S183-Q186 VanDerWaalsContact OG-N 3.08Å; Q186-V189 PolarHBondContact O-N 3.42Å; Q186-Q190 WeakPolarHBondContact O-CB 3.44Å; Q186-Q190 VanDerWaalsContact O-CG 3.25Å; Q186-Q190 WeakPolarHBondContact O-CG 3.38Å; Q186-Q190 PolarHBondContact O-N 3.47Å; Q186-E320 PolarHBondContact NE2-OE1 3.33Å; Q186-A323 HydrophobicContact CB-CB 4.35Å; Q186-A323 HydrophobicContact CG-CB 3.72Å
187A97.1Very high96.1Very high0 Ų043 Ų430%023%0.23CC..Hα-helixtrans-64.5-39.8175.200000112.5N129 Q132 V182 S183 R184 Y191N129-A187 PolarHBondContact OD1-O 2.72Å; Q132-A187 HydrophobicContact CB-CB 3.96Å; Q132-A187 HydrophobicContact CG-CB 3.96Å; V182-A187 HydrophobicContact CG1-CB 4.26Å; S183-A187 PolarHBondContact O-N 2.79Å; R184-A187 PolarHBondContact O-N 2.89Å; A187-Y191 WeakPolarHBondContact O-CB 3.31Å; A187-Y191 PolarHBondContact O-N 3Å
188I96.6Very high95.9Very high0 Ų039.6 Ų39.60%022%0.216CC..Hα-helixtrans-62.6-44.7173-75.7167000111.3V100 Y104 E133 R184 G185 Y191 L192 I326V100-I188 HydrophobicContact CG1-CG2 4.47Å; Y104-I188 HydrophobicContact CD1-CD1 4.37Å; Y104-I188 HydrophobicContact CD1-CG1 4.05Å; Y104-I188 HydrophobicContact CD2-CG1 4.21Å; Y104-I188 HydrophobicContact CD2-CG2 4.32Å; Y104-I188 HydrophobicContact CE1-CG1 4.14Å; Y104-I188 HydrophobicContact CE2-CG1 4.32Å; Y104-I188 HydrophobicContact CG-CG1 4.08Å; Y104-I188 HydrophobicContact CG-CG2 4.04Å; E133-I188 HydrophobicContact CB-CG1 4.4Å; E133-I188 HydrophobicContact CG-CD1 3.63Å; E133-I188 HydrophobicContact CG-CG1 3.45Å; E133-I188 VanDerWaalsContact CG-CG1 3.45Å; R184-I188 HydrophobicContact CG-CD1 4.19Å; R184-I188 WeakPolarHBondContact O-CG1 3.29Å; R184-I188 PolarHBondContact O-N 2.78Å; G185-I188 PolarHBondContact O-N 2.9Å; I188-Y191 PolarHBondContact O-N 3.15Å; I188-L192 HydrophobicContact CG2-CD1 4.07Å; I188-L192 WeakPolarHBondContact O-CB 3.26Å; I188-L192 WeakPolarHBondContact O-CG 3.37Å; I188-L192 PolarHBondContact O-N 3.43Å; I188-I326 HydrophobicContact CD1-CG2 3.62Å; I188-I326 HydrophobicContact CG2-CD1 4Å
189V96.5Very high95.7Very high11 Ų1136.8 Ų36.87%0.06721%0.209CC..Hα-helixtrans-68.3-40178.9167.20000111.6G185 Q186 L192 T193 L319 I322 A323G185-V189 WeakPolarHBondContact O-CB 3.47Å; G185-V189 WeakPolarHBondContact O-CG2 3.28Å; G185-V189 PolarHBondContact O-N 3.44Å; Q186-V189 PolarHBondContact O-N 3.42Å; V189-L192 PolarHBondContact O-N 3.36Å; V189-T193 HydrophobicContact CG1-CG2 4.34Å; V189-T193 WeakPolarHBondContact O-CB 3.43Å; V189-T193 WeakPolarHBondContact O-CG2 3.32Å; V189-T193 PolarHBondContact O-N 3.15Å; V189-T193 PolarHBondContact O-OG1 3.27Å; V189-L319 HydrophobicContact CG1-CB 4Å; V189-L319 HydrophobicContact CG1-CD2 3.97Å; V189-L319 HydrophobicContact CG1-CG 4.43Å; V189-I322 HydrophobicContact CG2-CB 4.35Å; V189-I322 HydrophobicContact CG2-CG2 3.78Å; V189-A323 HydrophobicContact CB-CB 4.49Å; V189-A323 HydrophobicContact CG2-CB 4.09Å
190Q96.9Very high95.6Very high74 Ų7436 Ų3635%0.34621%0.205SC..Hα-helixtrans-64.3-40.8173.5-74.6175.633.900111.9N129 Q186 T193 L194N129-Q190 WeakPolarHBondContact OD1-CB 3.33Å; N129-Q190 PolarHBondContact OD1-OE1 2.78Å; Q186-Q190 WeakPolarHBondContact O-CB 3.44Å; Q186-Q190 VanDerWaalsContact O-CG 3.25Å; Q186-Q190 WeakPolarHBondContact O-CG 3.38Å; Q186-Q190 PolarHBondContact O-N 3.47Å; Q190-T193 PolarHBondContact O-OG1 3.37Å; Q190-L194 WeakPolarHBondContact O-CB 3.28Å; Q190-L194 PolarHBondContact O-N 2.97Å; Q190-L194 VanDerWaalsContact O-N 3.14Å
191Y97.5Very high95.6Very high5 Ų529.4 Ų29.42%0.0218%0.176CC..Hα-helixtrans-60.2-51.6173.1-168-73000111.3Y104 A107 K108 L126 N129 A130 A187 I188 L194 V195Y104-Y191 AromaticContact CD2-CD1 3.77Å; Y104-Y191 HydrophobicContact CD2-CD1 3.77Å; Y104-Y191 HydrophobicContact CD2-CE1 4.46Å; Y104-Y191 AromaticContact CD2-CG 3.85Å; Y104-Y191 HydrophobicContact CD2-CG 3.85Å; Y104-Y191 AromaticContact CE2-CD1 3.91Å; Y104-Y191 HydrophobicContact CE2-CD1 3.91Å; Y104-Y191 AromaticContact CE2-CD2 3.85Å; Y104-Y191 HydrophobicContact CE2-CD2 3.85Å; Y104-Y191 HydrophobicContact CE2-CE1 4.47Å; Y104-Y191 HydrophobicContact CE2-CE2 4.4Å; Y104-Y191 AromaticContact CE2-CG 3.62Å; Y104-Y191 HydrophobicContact CE2-CG 3.62Å; A107-Y191 HydrophobicContact CB-CE1 4.09Å; K108-Y191 WeakPolarHBondContact CA-OH 3.3Å; K108-Y191 HydrophobicContact CB-CE1 4.49Å; L126-Y191 HydrophobicContact CB-CD2 4.12Å; L126-Y191 HydrophobicContact CB-CE2 3.59Å; L126-Y191 HydrophobicContact CD2-CD1 3.87Å; L126-Y191 HydrophobicContact CD2-CD2 3.64Å; L126-Y191 HydrophobicContact CD2-CE1 3.94Å; L126-Y191 HydrophobicContact CD2-CE2 3.73Å; L126-Y191 HydrophobicContact CD2-CG 3.68Å; L126-Y191 WeakPolarHBondContact CD2-O 3.25Å; L126-Y191 HydrophobicContact CG-CD2 4.49Å; L126-Y191 HydrophobicContact CG-CE2 4.18Å; L126-Y191 WeakPolarHBondContact O-CD2 3.39Å; L126-Y191 WeakPolarHBondContact O-CE2 3.49Å; N129-Y191 HydrophobicContact CB-CD2 4.05Å; A130-Y191 HydrophobicContact CB-CD2 4.44Å; A130-Y191 HydrophobicContact CB-CE2 4.19Å; A187-Y191 WeakPolarHBondContact O-CB 3.31Å; A187-Y191 PolarHBondContact O-N 3Å; I188-Y191 PolarHBondContact O-N 3.15Å; Y191-L194 PolarHBondContact O-N 3.14Å; Y191-V195 HydrophobicContact CD1-CG2 4.05Å; Y191-V195 HydrophobicContact CE1-CG2 3.74Å; Y191-V195 WeakPolarHBondContact O-CG2 3.31Å; Y191-V195 PolarHBondContact O-N 3.18Å
192L96.9Very high95.5Very high5 Ų526.8 Ų26.83%0.02615%0.15CC..Hα-helixtrans-66.2-43.9-176.7-81.6172.5000112.9I91 V100 F103 A107 I188 V189 L194 V195 E196I91-L192 HydrophobicContact CD1-CB 3.71Å; I91-L192 HydrophobicContact CD1-CD1 4.24Å; I91-L192 HydrophobicContact CG2-CB 4.19Å; I91-L192 HydrophobicContact CG2-CD1 4.33Å; I91-L192 HydrophobicContact CG2-CD2 4.5Å; V100-L192 HydrophobicContact CG1-CD1 3.63Å; F103-L192 HydrophobicContact CB-CD2 4.37Å; A107-L192 HydrophobicContact CB-CD2 4.1Å; I188-L192 HydrophobicContact CG2-CD1 4.07Å; I188-L192 WeakPolarHBondContact O-CB 3.26Å; I188-L192 WeakPolarHBondContact O-CG 3.37Å; I188-L192 PolarHBondContact O-N 3.43Å; V189-L192 PolarHBondContact O-N 3.36Å; L192-L194 VanDerWaalsContact C-N 3.34Å; L192-L194 PolarHBondContact O-N 3.08Å; L192-V195 PolarHBondContact O-N 3.34Å; L192-E196 VanDerWaalsContact O-CB 3.28Å; L192-E196 WeakPolarHBondContact O-CB 3.43Å; L192-E196 PolarHBondContact O-N 2.7Å
193T96.4Very high95.5Very high43 Ų4326.6 Ų26.626%0.26415%0.148SC..Hα-helixtrans-66.3-34.4178.349.30000112.7I91 V189 Q190 S197 L319I91-T193 HydrophobicContact CD1-CG2 3.93Å; V189-T193 HydrophobicContact CG1-CG2 4.34Å; V189-T193 WeakPolarHBondContact O-CB 3.43Å; V189-T193 WeakPolarHBondContact O-CG2 3.32Å; V189-T193 PolarHBondContact O-N 3.15Å; V189-T193 PolarHBondContact O-OG1 3.27Å; Q190-T193 PolarHBondContact O-OG1 3.37Å; T193-S197 PolarHBondContact O-N 3.23Å; T193-L319 HydrophobicContact CG2-CD1 4.1Å; T193-L319 HydrophobicContact CG2-CD2 4.06Å
194L96.4Very high95.4Very high30 Ų3026.5 Ų26.516%0.15715%0.145CC..Hα-helixtrans-64-47.9170.7-170.8169.8000110.5N122 R125 L126 Q190 Y191 L192 E196 S197N122-L194 HydrophobicContact CB-CD2 4.14Å; R125-L194 HydrophobicContact CB-CD1 3.9Å; L126-L194 HydrophobicContact CD1-CD2 3.96Å; L126-L194 HydrophobicContact CD2-CB 4.05Å; L126-L194 HydrophobicContact CD2-CD1 3.94Å; L126-L194 HydrophobicContact CD2-CD2 3.84Å; L126-L194 HydrophobicContact CD2-CG 4.15Å; L126-L194 HydrophobicContact CG-CD1 4.07Å; L126-L194 HydrophobicContact CG-CD2 3.84Å; L126-L194 HydrophobicContact CG-CG 4.46Å; Q190-L194 WeakPolarHBondContact O-CB 3.28Å; Q190-L194 PolarHBondContact O-N 2.97Å; Q190-L194 VanDerWaalsContact O-N 3.14Å; Y191-L194 PolarHBondContact O-N 3.14Å; L192-L194 VanDerWaalsContact C-N 3.34Å; L192-L194 PolarHBondContact O-N 3.08Å; L194-E196 PolarHBondContact O-N 3.48Å; L194-S197 PolarHBondContact O-N 3.17Å; L194-S197 PolarHBondContact O-OG 3.45Å
195V96.1Very high95.4Very high0 Ų025.4 Ų25.40%014%0.141CC..Hα-helixtrans-63.2-41.3177.7171.40000112.3A107 V111 I116 L126 Y191 L192 S197 L198 Y201A107-V195 HydrophobicContact CB-CG1 4.23Å; V111-V195 HydrophobicContact CG2-CG2 4.12Å; I116-V195 HydrophobicContact CD1-CG1 3.82Å; L126-V195 HydrophobicContact CD1-CG2 3.82Å; L126-V195 HydrophobicContact CD2-CG2 3.86Å; Y191-V195 HydrophobicContact CD1-CG2 4.05Å; Y191-V195 HydrophobicContact CE1-CG2 3.74Å; Y191-V195 WeakPolarHBondContact O-CG2 3.31Å; Y191-V195 PolarHBondContact O-N 3.18Å; L192-V195 PolarHBondContact O-N 3.34Å; V195-S197 PolarHBondContact O-N 3.06Å; V195-L198 WeakPolarHBondContact O-CB 3.18Å; V195-L198 WeakPolarHBondContact O-CG 3.49Å; V195-L198 PolarHBondContact O-N 3.23Å; V195-L198 VanDerWaalsContact O-N 3.08Å; V195-Y201 HydrophobicContact CG1-CD2 3.82Å; V195-Y201 HydrophobicContact CG1-CE2 4.39Å; V195-Y201 WeakPolarHBondContact O-CB 3.39Å
196E95.2Very high95.3Very high39 Ų3925.9 Ų25.918%0.18214%0.143CC..Hα-helixtrans-56.6-34.7177.6-177.6-178.5107.300112.5E89 N90 I91 L192 L194 L198 Y201E89-E196 WeakPolarHBondContact O-CG 3.3Å; N90-E196 VanDerWaalsContact CA-OE2 3.27Å; N90-E196 WeakPolarHBondContact CA-OE2 3.44Å; I91-E196 WeakPolarHBondContact CG2-OE2 3.24Å; I91-E196 PolarHBondContact N-OE2 2.89Å; L192-E196 VanDerWaalsContact O-CB 3.28Å; L192-E196 WeakPolarHBondContact O-CB 3.43Å; L192-E196 PolarHBondContact O-N 2.7Å; L194-E196 PolarHBondContact O-N 3.48Å; E196-L198 VanDerWaalsContact C-N 3.25Å; E196-L198 PolarHBondContact O-N 2.9Å; E196-Y201 HydrophobicContact CB-CD1 4.49Å; E196-Y201 HydrophobicContact CB-CE1 4.27Å; E196-Y201 HydrophobicContact CG-CD1 4.42Å; E196-Y201 HydrophobicContact CG-CE1 4Å; E196-Y201 WeakPolarHBondContact O-CD1 3.35Å
197S94.3Very high95.2Very high91 Ų9127.6 Ų27.664%0.63615%0.151SC*.THydrogen-bonded Turntrans-70.6-14.8179.179.10000114.5T193 L194 V195T193-S197 PolarHBondContact O-N 3.23Å; L194-S197 PolarHBondContact O-N 3.17Å; L194-S197 PolarHBondContact O-OG 3.45Å; V195-S197 PolarHBondContact O-N 3.06Å
198L93.8Very high95.2Very high15 Ų1527.7 Ų27.78%0.07915%0.151CC..SBendtrans-76141.3-171.7-60.5174.9000112.5I116 V118 V195 E196 T200 Y201I116-L198 HydrophobicContact CG2-CD1 3.69Å; V118-L198 HydrophobicContact CB-CD1 4.26Å; V118-L198 HydrophobicContact CG1-CD1 3.95Å; V118-L198 HydrophobicContact CG1-CD2 4.25Å; V118-L198 HydrophobicContact CG2-CD1 3.74Å; V195-L198 WeakPolarHBondContact O-CB 3.18Å; V195-L198 WeakPolarHBondContact O-CG 3.49Å; V195-L198 PolarHBondContact O-N 3.23Å; V195-L198 VanDerWaalsContact O-N 3.08Å; E196-L198 VanDerWaalsContact C-N 3.25Å; E196-L198 PolarHBondContact O-N 2.9Å; L198-T200 PolarHBondContact O-N 2.7Å; L198-T200 VanDerWaalsContact O-N 3.1Å; L198-Y201 WeakPolarHBondContact O-CB 3.41Å; L198-Y201 PolarHBondContact O-N 3.13Å; L198-Y201 VanDerWaalsContact O-N 3.12Å
199P92.1Very high95.2Very high69 Ų6932.5 Ų32.545%0.44817%0.172SC..THydrogen-bonded Turntrans-61.1-23.5179.2-24.133.8000115L234P199-L234 HydrophobicContact CB-CB 4.49Å; P199-L234 WeakPolarHBondContact CB-O 3.39Å
200T93.2Very high95.1Very high3 Ų334.2 Ų34.22%0.01818%0.181CC..THydrogen-bonded Turntrans-91.9-7.4-178.261.10000113.7I116 E117 L198 G202 V203 Y205 L234I116-T200 WeakPolarHBondContact CG2-OG1 3.45Å; E117-T200 HydrophobicContact CB-CG2 4.08Å; E117-T200 PolarHBondContact N-OG1 3.42Å; E117-T200 PolarHBondContact O-OG1 2.89Å; L198-T200 PolarHBondContact O-N 2.7Å; L198-T200 VanDerWaalsContact O-N 3.1Å; T200-G202 PolarHBondContact O-N 3.34Å; T200-V203 PolarHBondContact O-N 3.42Å; T200-Y205 WeakPolarHBondContact CG2-OH 3.49Å; T200-L234 HydrophobicContact CG2-CD2 3.55Å
201Y94.9Very high94.9Very high8 Ų838.7 Ų38.73%0.03120%0.199CC..THydrogen-bonded Turntrans-64125.1-177.6169.1-110.5000112.1Y87 L88 V195 E196 L198 V203 Y222Y87-Y201 HydrophobicContact CD1-CD2 4.18Å; Y87-Y201 AromaticContact CD1-CE2 3.55Å; Y87-Y201 HydrophobicContact CD1-CE2 3.55Å; Y87-Y201 AromaticContact CD1-CZ 3.94Å; Y87-Y201 HydrophobicContact CE1-CE2 4.19Å; L88-Y201 VanDerWaalsContact O-CE1 3.3Å; L88-Y201 WeakPolarHBondContact O-CE1 3.21Å; L88-Y201 PolarHBondContact O-OH 3.1Å; V195-Y201 HydrophobicContact CG1-CD2 3.82Å; V195-Y201 HydrophobicContact CG1-CE2 4.39Å; V195-Y201 WeakPolarHBondContact O-CB 3.39Å; E196-Y201 HydrophobicContact CB-CD1 4.49Å; E196-Y201 HydrophobicContact CB-CE1 4.27Å; E196-Y201 HydrophobicContact CG-CD1 4.42Å; E196-Y201 HydrophobicContact CG-CE1 4Å; E196-Y201 WeakPolarHBondContact O-CD1 3.35Å; L198-Y201 WeakPolarHBondContact O-CB 3.41Å; L198-Y201 PolarHBondContact O-N 3.13Å; L198-Y201 VanDerWaalsContact O-N 3.12Å; Y201-V203 VanDerWaalsContact C-N 3.27Å; Y201-V203 PolarHBondContact O-N 2.97Å; Y201-Y222 HydrophobicContact CD1-CE1 4.18Å; Y201-Y222 HydrophobicContact CE1-CE1 4.22Å
202G93.2Very high94.7Very high4 Ų445.9 Ų45.94%0.04123%0.233CC..THydrogen-bonded Turntrans67.221-179.800000115.3Y87 T200 S221Y87-G202 VanDerWaalsContact CG-CA 3.4Å; T200-G202 PolarHBondContact O-N 3.34Å; G202-S221 WeakPolarHBondContact O-CA 3.4Å; G202-S221 WeakPolarHBondContact O-CB 3.4Å
203V94.9Very high94.5Very high21 Ų2147.8 Ų47.813%0.12725%0.254CS..  trans-102.4114.5177.8-1720000110.7T200 Y201 Y205 Y228T200-V203 PolarHBondContact O-N 3.42Å; Y201-V203 VanDerWaalsContact C-N 3.27Å; Y201-V203 PolarHBondContact O-N 2.97Å; V203-Y205 HydrophobicContact CB-CD2 4.21Å; V203-Y205 HydrophobicContact CB-CE2 3.59Å; V203-Y205 HydrophobicContact CG1-CD1 4.09Å; V203-Y205 HydrophobicContact CG1-CD2 3.99Å; V203-Y205 HydrophobicContact CG1-CE1 3.74Å; V203-Y205 HydrophobicContact CG1-CE2 3.61Å; V203-Y205 HydrophobicContact CG1-CG 4.22Å; V203-Y205 VanDerWaalsContact CG1-CZ 3.47Å; V203-Y205 VanDerWaalsContact O-CD2 3.25Å; V203-Y205 WeakPolarHBondContact O-CD2 3.39Å; V203-Y205 WeakPolarHBondContact O-CE2 3.4Å; V203-Y205 PolarHBondContact O-N 3.42Å; V203-Y228 HydrophobicContact CG1-CE2 4.41Å
204H94.4Very high94.4Very high28 Ų2849.1 Ų49.113%0.1326%0.258CS..EExtended strand (participates in β ladder)trans-85105.5172-62.7-89.5000109.3W59 R85 F206 G219 I220 M295 Q299W59-H204 AromaticContact CZ2-CE1 3.77Å; R85-H204 PolarHBondContact O-NE2 2.91Å; H204-F206 HydrophobicContact CB-CE2 3.85Å; H204-F206 HydrophobicContact CB-CZ 4.09Å; H204-F206 WeakPolarHBondContact O-CD2 3.4Å; H204-F206 WeakPolarHBondContact O-CE2 3.13Å; H204-G219 CarbonylContact O-C 3.54Å; H204-G219 WeakPolarHBondContact O-CA 3.32Å; H204-I220 PolarHBondContact N-O 2.85Å; H204-I220 PolarHBondContact O-N 3.3Å; H204-M295 HydrophobicContact CB-CG 4.34Å; H204-Q299 PolarHBondContact NE2-NE2 3.5Å
205Y94.2Very high94.4Very high37 Ų3750 Ų5015%0.14527%0.266CS..EExtended strand (participates in β ladder)trans-91.1133.6-176.5-65.7-88.6000113.1T200 V203 W217 Y228 K233T200-Y205 WeakPolarHBondContact CG2-OH 3.49Å; V203-Y205 HydrophobicContact CB-CD2 4.21Å; V203-Y205 HydrophobicContact CB-CE2 3.59Å; V203-Y205 HydrophobicContact CG1-CD1 4.09Å; V203-Y205 HydrophobicContact CG1-CD2 3.99Å; V203-Y205 HydrophobicContact CG1-CE1 3.74Å; V203-Y205 HydrophobicContact CG1-CE2 3.61Å; V203-Y205 HydrophobicContact CG1-CG 4.22Å; V203-Y205 VanDerWaalsContact CG1-CZ 3.47Å; V203-Y205 VanDerWaalsContact O-CD2 3.25Å; V203-Y205 WeakPolarHBondContact O-CD2 3.39Å; V203-Y205 WeakPolarHBondContact O-CE2 3.4Å; V203-Y205 PolarHBondContact O-N 3.42Å; Y205-W217 HydrophobicContact CD1-CB 4.22Å; Y205-Y228 HydrophobicContact CE1-CD1 4.19Å; Y205-Y228 HydrophobicContact CE1-CD2 4.2Å; Y205-Y228 HydrophobicContact CE1-CE1 4.12Å; Y205-Y228 HydrophobicContact CE1-CE2 4.16Å; Y205-Y228 HydrophobicContact CE1-CG 4.23Å; Y205-K233 HydrophobicContact CD1-CB 4.43Å; Y205-K233 HydrophobicContact CD1-CD 4.28Å; Y205-K233 HydrophobicContact CD1-CG 4.14Å; Y205-K233 HydrophobicContact CE1-CB 3.76Å; Y205-K233 HydrophobicContact CE1-CD 4.33Å; Y205-K233 HydrophobicContact CE1-CG 3.97Å; Y205-K233 HydrophobicContact CG-CD 4.39Å; Y205-K233 PolarHBondContact OH-O 2.91Å
206F94.8Very high94.5Very high10 Ų1051.2 Ų51.24%0.04427%0.271CS..EExtended strand (participates in β ladder)trans-129.5138175.4-52.9-84.3000110.9H204 L218 I220 L288 T291 I292 M295H204-F206 HydrophobicContact CB-CE2 3.85Å; H204-F206 HydrophobicContact CB-CZ 4.09Å; H204-F206 WeakPolarHBondContact O-CD2 3.4Å; H204-F206 WeakPolarHBondContact O-CE2 3.13Å; F206-L218 PolarHBondContact N-O 3.4Å; F206-L218 PolarHBondContact O-N 2.99Å; F206-I220 HydrophobicContact CD2-CD1 4.26Å; F206-I220 HydrophobicContact CD2-CG1 4.44Å; F206-I220 HydrophobicContact CE2-CD1 3.82Å; F206-I220 HydrophobicContact CE2-CG1 4.17Å; F206-L288 HydrophobicContact CB-CD1 4.26Å; F206-L288 HydrophobicContact CD1-CD1 3.73Å; F206-L288 HydrophobicContact CG-CD1 4.39Å; F206-T291 HydrophobicContact CE1-CG2 4.07Å; F206-I292 HydrophobicContact CB-CD1 3.81Å; F206-I292 HydrophobicContact CB-CG1 3.7Å; F206-I292 HydrophobicContact CD1-CG1 3.98Å; F206-I292 HydrophobicContact CD2-CG1 3.79Å; F206-I292 HydrophobicContact CE2-CG1 4.42Å; F206-I292 HydrophobicContact CG-CD1 4.23Å; F206-I292 HydrophobicContact CG-CG1 3.54Å; F206-M295 HydrophobicContact CE2-CB 4.45Å; F206-M295 HydrophobicContact CE2-CG 4.22Å; F206-M295 HydrophobicContact CZ-CB 4.22Å; F206-M295 HydrophobicContact CZ-CG 4.2Å
207E94.8Very high94.5Very high86 Ų8651.8 Ų51.840%0.40227%0.271SS..EExtended strand (participates in β ladder)trans-80.6124.6176-166.8-166.2145.200110.2W217 L230 L288E207-W217 HydrophobicContact CB-CE3 4.27Å; E207-W217 HydrophobicContact CB-CH2 4.25Å; E207-W217 HydrophobicContact CB-CZ3 3.88Å; E207-L230 HydrophobicContact CG-CD1 4.12Å; E207-L288 WeakPolarHBondContact O-CD2 3.29Å
208V95.9Very high94.6Very high2 Ų247.4 Ų47.41%0.01224%0.241CC..EExtended strand (participates in β ladder)trans-138.4169-179.5-57.80000111.2P215 W216 L218 W282 A284 I292V208-P215 CarbonylContact O-C 3.59Å; V208-P215 WeakPolarHBondContact O-CA 3.5Å; V208-W216 HydrophobicContact CG2-CB 4.22Å; V208-W216 PolarHBondContact N-O 3.2Å; V208-W216 PolarHBondContact O-N 3.1Å; V208-L218 HydrophobicContact CG1-CB 4.14Å; V208-L218 HydrophobicContact CG1-CD2 4.27Å; V208-L218 HydrophobicContact CG2-CB 3.82Å; V208-W282 HydrophobicContact CB-CB 4Å; V208-W282 HydrophobicContact CG2-CB 3.82Å; V208-W282 HydrophobicContact CG2-CG 3.86Å; V208-A284 HydrophobicContact CG1-CB 4.41Å; V208-I292 HydrophobicContact CG1-CD1 3.54Å
209K96.7Very high94.8Very high101 Ų10146.7 Ų46.744%0.43924%0.237SC..EExtended strand (participates in β ladder)trans-122.8143.2175-61.5-178.2-179.5-175.20111I214 P215 W282 Y283K209-I214 CarbonylContact C-O 3.4Å; K209-I214 VanDerWaalsContact CA-O 3.26Å; K209-I214 WeakPolarHBondContact CA-O 3.49Å; K209-P215 HydrophobicContact CG-CB 4.43Å; K209-W282 CarbonylContact O-C 3.54Å; K209-W282 WeakPolarHBondContact O-CA 3.29Å; K209-Y283 PolarHBondContact N-O 3.01Å; K209-Y283 PolarHBondContact O-N 2.83Å
210D94.7Very high95Very high47 Ų4743.4 Ų43.425%0.25122%0.216SC..EExtended strand (participates in β ladder)trans-76.3172.8170.9-167.1-2.4000110.1Q212 G213 I214D210-Q212 PolarHBondContact O-N 3.34Å; D210-G213 PolarHBondContact O-N 2.96Å; D210-I214 PolarHBondContact N-O 3.06Å
211K92.2Very high95.1Very high168 Ų16843.4 Ų43.473%0.7322%0.215SC*.THydrogen-bonded Turntrans-53-24.2174.9-172.7179.4177.2-176.20113.5G213 Y283K211-G213 VanDerWaalsContact C-N 3.34Å; K211-Y283 HydrophobicContact CB-CE2 3.99Å
212Q94Very high95Very high157 Ų15744.7 Ų44.773%0.73422%0.221SC*.THydrogen-bonded Turntrans-85.41.3175.3-64.1-177-11.200114D210 I214D210-Q212 PolarHBondContact O-N 3.34Å; Q212-I214 HydrophobicContact CB-CD1 4.13Å; Q212-I214 HydrophobicContact CB-CG1 4.1Å; Q212-I214 PolarHBondContact O-N 3.48Å
213G92.9Very high95Very high44 Ų4448.8 Ų48.845%0.45424%0.237SC..  trans79.1-7.8-176.400000115.1D210 K211D210-G213 PolarHBondContact O-N 2.96Å; K211-G213 VanDerWaalsContact C-N 3.34Å
214I94.9Very high95Very high71 Ų7147.8 Ų47.836%0.36423%0.231SC..  trans-59.5127.9176.2-58.7174.1000109.5K209 D210 Q212 W216K209-I214 CarbonylContact C-O 3.4Å; K209-I214 VanDerWaalsContact CA-O 3.26Å; K209-I214 WeakPolarHBondContact CA-O 3.49Å; D210-I214 PolarHBondContact N-O 3.06Å; Q212-I214 HydrophobicContact CB-CD1 4.13Å; Q212-I214 HydrophobicContact CB-CG1 4.1Å; Q212-I214 PolarHBondContact O-N 3.48Å; I214-W216 HydrophobicContact CG2-CZ2 3.91Å; I214-W216 PolarHBondContact O-NE1 2.89Å
215P96.4Very high95.2Very high49 Ų4946.4 Ų46.432%0.31823%0.225SC..EExtended strand (participates in β ladder)trans-79.3144.817833.9-35.9000112.6V208 K209 L230V208-P215 CarbonylContact O-C 3.59Å; V208-P215 WeakPolarHBondContact O-CA 3.5Å; K209-P215 HydrophobicContact CG-CB 4.43Å; P215-L230 HydrophobicContact CB-CD1 4.27Å; P215-L230 HydrophobicContact CB-CD2 4.04Å; P215-L230 HydrophobicContact CG-CD2 3.85Å
216W96.3Very high95.3Very high25 Ų2544.7 Ų44.710%0.09522%0.218CC..EExtended strand (participates in β ladder)trans-143.2152.8-178.3-60.594.9000110.3V208 I214 Q227 D229 R237V208-W216 HydrophobicContact CG2-CB 4.22Å; V208-W216 PolarHBondContact N-O 3.2Å; V208-W216 PolarHBondContact O-N 3.1Å; I214-W216 HydrophobicContact CG2-CZ2 3.91Å; I214-W216 PolarHBondContact O-NE1 2.89Å; W216-Q227 HydrophobicContact CB-CG 4.46Å; W216-Q227 HydrophobicContact CD2-CG 4.14Å; W216-Q227 VanDerWaalsContact CE2-NE2 3.33Å; W216-Q227 HydrophobicContact CE3-CG 3.91Å; W216-Q227 HydrophobicContact CG-CG 4.38Å; W216-D229 WeakPolarHBondContact CZ3-OD1 3.3Å; W216-R237 HydrophobicContact CZ3-CG 4.5Å
217W96.4Very high95.3Very high51 Ų5144.5 Ų44.519%0.19322%0.217CC..EExtended strand (participates in β ladder)trans-87.8126.9160.9-73.3116.8000109.2Y205 E207 Y228 L230 K233Y205-W217 HydrophobicContact CD1-CB 4.22Å; E207-W217 HydrophobicContact CB-CE3 4.27Å; E207-W217 HydrophobicContact CB-CH2 4.25Å; E207-W217 HydrophobicContact CB-CZ3 3.88Å; W217-Y228 PolarHBondContact N-O 3.16Å; W217-Y228 PolarHBondContact O-N 3.21Å; W217-L230 HydrophobicContact CD2-CD1 4.45Å; W217-L230 HydrophobicContact CZ2-CD1 4.39Å; W217-L230 PolarHBondContact NE1-O 2.91Å; W217-K233 VanDerWaalsContact CE2-CE 3.41Å; W217-K233 HydrophobicContact CG-CG 4.07Å
218L97.1Very high95.4Very high0 Ų040.8 Ų40.80%020%0.2CC..EExtended strand (participates in β ladder)trans-103.4111.7171-171.671.8000108.1F206 V208 I225 F255 W282 I292F206-L218 PolarHBondContact N-O 3.4Å; F206-L218 PolarHBondContact O-N 2.99Å; V208-L218 HydrophobicContact CG1-CB 4.14Å; V208-L218 HydrophobicContact CG1-CD2 4.27Å; V208-L218 HydrophobicContact CG2-CB 3.82Å; L218-I225 HydrophobicContact CD1-CG2 3.68Å; L218-I225 HydrophobicContact CG-CG2 4.25Å; L218-F255 HydrophobicContact CD2-CD1 3.83Å; L218-F255 HydrophobicContact CD2-CE1 3.91Å; L218-W282 HydrophobicContact CD1-CD2 4.09Å; L218-W282 HydrophobicContact CD1-CE3 4.25Å; L218-W282 HydrophobicContact CD1-CH2 4.22Å; L218-W282 HydrophobicContact CD1-CZ2 4.08Å; L218-W282 HydrophobicContact CD1-CZ3 4.31Å; L218-I292 HydrophobicContact CD2-CD1 4.39Å; L218-I292 HydrophobicContact CD2-CG2 3.76Å
219G96.6Very high95.4Very high0 Ų042.3 Ų42.30%021%0.208CC..EExtended strand (participates in β ladder)trans-101.5127.1-179.500000111.5H204 I225 G226H204-G219 CarbonylContact O-C 3.54Å; H204-G219 WeakPolarHBondContact O-CA 3.32Å; G219-I225 CarbonylContact O-C 3.58Å; G219-I225 WeakPolarHBondContact O-CA 3.35Å; G219-G226 PolarHBondContact N-O 3.42Å; G219-G226 PolarHBondContact O-N 3.49Å
220I96.9Very high95.1Very high0 Ų040.6 Ų40.60%020%0.203CC..EExtended strand (participates in β ladder)trans-108.7129.3174.4-51.6175.9000108.9H204 F206 W242 I292 M295 A296 Q299H204-I220 PolarHBondContact N-O 2.85Å; H204-I220 PolarHBondContact O-N 3.3Å; F206-I220 HydrophobicContact CD2-CD1 4.26Å; F206-I220 HydrophobicContact CD2-CG1 4.44Å; F206-I220 HydrophobicContact CE2-CD1 3.82Å; F206-I220 HydrophobicContact CE2-CG1 4.17Å; I220-W242 HydrophobicContact CG2-CH2 3.99Å; I220-W242 HydrophobicContact CG2-CZ2 4.03Å; I220-I292 HydrophobicContact CD1-CG2 4.19Å; I220-I292 WeakPolarHBondContact CD1-O 3.4Å; I220-M295 HydrophobicContact CB-CG 4.1Å; I220-M295 HydrophobicContact CD1-CB 3.95Å; I220-M295 HydrophobicContact CD1-CG 3.82Å; I220-M295 HydrophobicContact CG2-CG 4.11Å; I220-A296 HydrophobicContact CD1-CB 3.99Å; I220-Q299 HydrophobicContact CG2-CB 4.14Å; I220-Q299 HydrophobicContact CG2-CG 3.93Å
221S95.1Very high95Very high2 Ų247.1 Ų47.11%0.01423%0.232CC..EExtended strand (participates in β ladder)trans-147.7171.5-172.268.50000112.7G202 K223 G224 W242G202-S221 WeakPolarHBondContact O-CA 3.4Å; G202-S221 WeakPolarHBondContact O-CB 3.4Å; S221-K223 PolarHBondContact O-N 3.26Å; S221-K223 VanDerWaalsContact O-N 3.1Å; S221-K223 PolarHBondContact OG-N 2.86Å; S221-G224 PolarHBondContact N-O 3.49Å; S221-G224 PolarHBondContact O-N 2.91Å; S221-G224 PolarHBondContact OG-N 2.85Å; S221-G224 PolarHBondContact OG-O 3.32Å; S221-W242 WeakPolarHBondContact O-CZ2 3.48Å; S221-W242 PolarHBondContact O-NE1 3.28Å
222Y92.9Very high94.9Very high35 Ų3541.8 Ų41.814%0.13721%0.212CC..THydrogen-bonded Turntrans-58.1-21.8171.570.1-89.2000113.7Y87 E89 Y201 W242Y87-Y222 WeakPolarHBondContact O-CB 3.5Å; E89-Y222 HydrophobicContact CB-CD2 4.01Å; E89-Y222 HydrophobicContact CB-CE2 3.58Å; E89-Y222 HydrophobicContact CG-CE2 3.86Å; Y201-Y222 HydrophobicContact CD1-CE1 4.18Å; Y201-Y222 HydrophobicContact CE1-CE1 4.22Å; Y222-W242 VanDerWaalsContact O-CD1 3.31Å; Y222-W242 PolarHBondContact O-NE1 3.1Å
223K93.7Very high94.7Very high90 Ų9036.5 Ų36.539%0.39119%0.186SC..THydrogen-bonded Turntrans-79.8-28.2176.6-66.5166.7174.6141.30112.9S221 L239 Q241S221-K223 PolarHBondContact O-N 3.26Å; S221-K223 VanDerWaalsContact O-N 3.1Å; S221-K223 PolarHBondContact OG-N 2.86Å; K223-L239 HydrophobicContact CB-CD2 4.39Å; K223-Q241 WeakPolarHBondContact O-CA 2.74Å
224G95.1Very high94.6Very high0 Ų038.4 Ų38.40%019%0.186CC..EExtended strand (participates in β ladder)trans141.2-160.3-170.800000113.2S221 Y240S221-G224 PolarHBondContact N-O 3.49Å; S221-G224 PolarHBondContact O-N 2.91Å; S221-G224 PolarHBondContact OG-N 2.85Å; S221-G224 PolarHBondContact OG-O 3.32Å; G224-Y240 WeakPolarHBondContact CA-O 3.31Å
225I97.1Very high94.4Very high0 Ų042.2 Ų42.20%020%0.199CC..EExtended strand (participates in β ladder)trans-101.7123.9177.3-56.8178.1000109L218 G219 Y240 W242 L245 L248 F255 V257 A296L218-I225 HydrophobicContact CD1-CG2 3.68Å; L218-I225 HydrophobicContact CG-CG2 4.25Å; G219-I225 CarbonylContact O-C 3.58Å; G219-I225 WeakPolarHBondContact O-CA 3.35Å; I225-Y240 PolarHBondContact N-O 3.03Å; I225-Y240 VanDerWaalsContact O-CD2 3.3Å; I225-Y240 WeakPolarHBondContact O-CD2 3.43Å; I225-Y240 PolarHBondContact O-N 3.02Å; I225-W242 HydrophobicContact CD1-CH2 4.32Å; I225-W242 HydrophobicContact CD1-CZ3 4.21Å; I225-W242 HydrophobicContact CG1-CH2 3.87Å; I225-W242 HydrophobicContact CG1-CZ3 4.07Å; I225-L245 HydrophobicContact CD1-CD1 3.8Å; I225-L245 HydrophobicContact CG1-CD1 4.12Å; I225-L248 HydrophobicContact CD1-CD2 4.28Å; I225-F255 HydrophobicContact CD1-CE1 4.41Å; I225-F255 HydrophobicContact CD1-CZ 4.11Å; I225-V257 HydrophobicContact CD1-CG2 4.05Å; I225-A296 HydrophobicContact CD1-CB 4.33Å
226G96.3Very high94.2Very high0 Ų042 Ų420%020%0.198CC..EExtended strand (participates in β ladder)trans-113.1144.3178.900000113.4G219 Y228 K238G219-G226 PolarHBondContact N-O 3.42Å; G219-G226 PolarHBondContact O-N 3.49Å; G226-Y228 WeakPolarHBondContact O-CD2 3.38Å; G226-K238 CarbonylContact C-O 3.26Å; G226-K238 VanDerWaalsContact CA-O 3.29Å; G226-K238 WeakPolarHBondContact CA-O 3.33Å
227Q96.3Very high94.1Very high6 Ų648.2 Ų48.23%0.02822%0.221CC..EExtended strand (participates in β ladder)trans-107.8124.1170.9-176.7179.314.800109.1W216 P236 R237 K238 W282W216-Q227 HydrophobicContact CB-CG 4.46Å; W216-Q227 HydrophobicContact CD2-CG 4.14Å; W216-Q227 VanDerWaalsContact CE2-NE2 3.33Å; W216-Q227 HydrophobicContact CE3-CG 3.91Å; W216-Q227 HydrophobicContact CG-CG 4.38Å; Q227-P236 CarbonylContact O-C 3.55Å; Q227-P236 WeakPolarHBondContact O-CA 3.41Å; Q227-R237 PolarHBondContact O-N 3.24Å; Q227-K238 HydrophobicContact CB-CB 4.42Å; Q227-K238 PolarHBondContact N-O 2.89Å; Q227-K238 PolarHBondContact O-N 3.38Å; Q227-W282 HydrophobicContact CB-CZ2 4.39Å
228Y96.4Very high93.9Very high9 Ų950.1 Ų50.14%0.03523%0.231CC..EExtended strand (participates in β ladder)trans-126.8147.3-171.4-62.8-106.7000110.2V203 Y205 W217 G226 K233 P236V203-Y228 HydrophobicContact CG1-CE2 4.41Å; Y205-Y228 HydrophobicContact CE1-CD1 4.19Å; Y205-Y228 HydrophobicContact CE1-CD2 4.2Å; Y205-Y228 HydrophobicContact CE1-CE1 4.12Å; Y205-Y228 HydrophobicContact CE1-CE2 4.16Å; Y205-Y228 HydrophobicContact CE1-CG 4.23Å; W217-Y228 PolarHBondContact N-O 3.16Å; W217-Y228 PolarHBondContact O-N 3.21Å; G226-Y228 WeakPolarHBondContact O-CD2 3.38Å; Y228-K233 WeakPolarHBondContact CD1-O 3.1Å; Y228-K233 WeakPolarHBondContact CE1-O 3.17Å; Y228-P236 HydrophobicContact CD1-CB 3.94Å; Y228-P236 HydrophobicContact CD2-CB 4.34Å; Y228-P236 HydrophobicContact CE1-CB 3.7Å; Y228-P236 HydrophobicContact CE1-CG 4.04Å; Y228-P236 HydrophobicContact CE2-CB 4.09Å; Y228-P236 HydrophobicContact CG-CB 4.26Å
229D94.6Very high93.8Very high34 Ų3453.2 Ų53.218%0.18225%0.247CC..EExtended strand (participates in β ladder)trans-66.5147.3176-84.3-41.6000110.8W216 Q231 D232 R237W216-D229 WeakPolarHBondContact CZ3-OD1 3.3Å; D229-Q231 PolarHBondContact O-N 3.46Å; D229-Q231 VanDerWaalsContact O-N 3.07Å; D229-D232 HydrophobicContact CB-CB 4.32Å; D229-D232 PolarHBondContact N-O 2.94Å; D229-D232 CarbonylContact O-C 3.58Å; D229-D232 PolarHBondContact O-N 3.46Å; D229-D232 VanDerWaalsContact O-O 3.08Å; D229-R237 IonicContact OD1-CZ 3.52Å; D229-R237 IonicContact OD1-NE 2.72Å; D229-R237 PolarHBondContact OD1-NE 3.42Å; D229-R237 IonicContact OD1-NH2 3.39Å; D229-R237 PolarHBondContact OD1-NH2 2.67Å; D229-R237 IonicContact OD2-CZ 2.7Å; D229-R237 IonicContact OD2-NE 3.77Å; D229-R237 PolarHBondContact OD2-NE 3Å; D229-R237 IonicContact OD2-NH2 2.76Å; D229-R237 PolarHBondContact OD2-NH2 3.2Å
230L91.6Very high93.7Very high64 Ų6454 Ų5434%0.33525%0.25SS..THydrogen-bonded Turntrans-59.2-27.2-179.4-162.673.4000112.8E207 P215 W217E207-L230 HydrophobicContact CG-CD1 4.12Å; P215-L230 HydrophobicContact CB-CD1 4.27Å; P215-L230 HydrophobicContact CB-CD2 4.04Å; P215-L230 HydrophobicContact CG-CD2 3.85Å; W217-L230 HydrophobicContact CD2-CD1 4.45Å; W217-L230 HydrophobicContact CZ2-CD1 4.39Å; W217-L230 PolarHBondContact NE1-O 2.91Å
231Q91.3Very high93.5Very high185 Ų18557.5 Ų57.586%0.86427%0.267SS*.THydrogen-bonded Turntrans-91.5-12.7176.7-60.8112.31.400114.8D229D229-Q231 PolarHBondContact O-N 3.46Å; D229-Q231 VanDerWaalsContact O-N 3.07Å
232D90.1Very high93.5Very high56 Ų5657.5 Ų57.530%0.29927%0.266SS..EExtended strand (participates in β ladder)trans-136.4101.5-176.7-178.9-2000110.7D229 L234 K235D229-D232 HydrophobicContact CB-CB 4.32Å; D229-D232 PolarHBondContact N-O 2.94Å; D229-D232 CarbonylContact O-C 3.58Å; D229-D232 PolarHBondContact O-N 3.46Å; D229-D232 VanDerWaalsContact O-O 3.08Å; D232-L234 WeakPolarHBondContact OD1-CA 3.37Å; D232-L234 WeakPolarHBondContact OD1-CB 3.41Å; D232-L234 PolarHBondContact OD1-N 2.72Å; D232-K235 PolarHBondContact OD1-N 3.49Å; D232-K235 WeakPolarHBondContact OD2-CB 3.46Å
233K90.5Very high93.4Very high45 Ų4562.4 Ų62.420%0.19629%0.288CS..EExtended strand (participates in β ladder)trans-86.6-13.6172.2-71.1-179.5-174166.40113.5E117 Y205 W217 Y228E117-K233 IonicContact OE1-NZ 3.67Å; E117-K233 PolarHBondContact OE1-NZ 3.1Å; Y205-K233 HydrophobicContact CD1-CB 4.43Å; Y205-K233 HydrophobicContact CD1-CD 4.28Å; Y205-K233 HydrophobicContact CD1-CG 4.14Å; Y205-K233 HydrophobicContact CE1-CB 3.76Å; Y205-K233 HydrophobicContact CE1-CD 4.33Å; Y205-K233 HydrophobicContact CE1-CG 3.97Å; Y205-K233 HydrophobicContact CG-CD 4.39Å; Y205-K233 PolarHBondContact OH-O 2.91Å; W217-K233 VanDerWaalsContact CE2-CE 3.41Å; W217-K233 HydrophobicContact CG-CG 4.07Å; Y228-K233 WeakPolarHBondContact CD1-O 3.1Å; Y228-K233 WeakPolarHBondContact CE1-O 3.17Å
234L90.6Very high93.2Very high85 Ų8560.4 Ų60.445%0.44528%0.28SS..EExtended strand (participates in β ladder)trans-75.7-42.4-176.7-51.3-176.8000109.9E117 P199 T200 D232E117-L234 HydrophobicContact CB-CD2 4.29Å; P199-L234 HydrophobicContact CB-CB 4.49Å; P199-L234 WeakPolarHBondContact CB-O 3.39Å; T200-L234 HydrophobicContact CG2-CD2 3.55Å; D232-L234 WeakPolarHBondContact OD1-CA 3.37Å; D232-L234 WeakPolarHBondContact OD1-CB 3.41Å; D232-L234 PolarHBondContact OD1-N 2.72Å
235K90.6Very high93.1Very high150 Ų15060.4 Ų60.465%0.65228%0.28SS*.EExtended strand (participates in β ladder)trans-110.7111.7-174.2-164.3173.6-177.4175.20112.4D232 R237D232-K235 PolarHBondContact OD1-N 3.49Å; D232-K235 WeakPolarHBondContact OD2-CB 3.46Å; K235-R237 PolarHBondContact O-N 3.47Å
236P93.5Very high92.8Very high44 Ų4463 Ų6329%0.28629%0.293SS..EExtended strand (participates in β ladder)trans-68.2132.2171.926.6-30.5000110.2Q227 Y228 K238 L239Q227-P236 CarbonylContact O-C 3.55Å; Q227-P236 WeakPolarHBondContact O-CA 3.41Å; Y228-P236 HydrophobicContact CD1-CB 3.94Å; Y228-P236 HydrophobicContact CD2-CB 4.34Å; Y228-P236 HydrophobicContact CE1-CB 3.7Å; Y228-P236 HydrophobicContact CE1-CG 4.04Å; Y228-P236 HydrophobicContact CE2-CB 4.09Å; Y228-P236 HydrophobicContact CG-CB 4.26Å; P236-K238 VanDerWaalsContact C-N 3.25Å; P236-L239 HydrophobicContact CG-CB 4.41Å
237R93.2Very high92.6Very high157 Ų15763.9 Ų63.959%0.59230%0.297SS*.EExtended strand (participates in β ladder)trans-65.5-32.6165.8-75.8-151.3-178.4-179.87.6111.8W216 Q227 D229 K235W216-R237 HydrophobicContact CZ3-CG 4.5Å; Q227-R237 PolarHBondContact O-N 3.24Å; D229-R237 IonicContact OD1-CZ 3.52Å; D229-R237 IonicContact OD1-NE 2.72Å; D229-R237 PolarHBondContact OD1-NE 3.42Å; D229-R237 IonicContact OD1-NH2 3.39Å; D229-R237 PolarHBondContact OD1-NH2 2.67Å; D229-R237 IonicContact OD2-CZ 2.7Å; D229-R237 IonicContact OD2-NE 3.77Å; D229-R237 PolarHBondContact OD2-NE 3Å; D229-R237 IonicContact OD2-NH2 2.76Å; D229-R237 PolarHBondContact OD2-NH2 3.2Å; K235-R237 PolarHBondContact O-N 3.47Å
238K91.9Very high92.5Very high91 Ų9163.6 Ų63.640%0.39630%0.296SS..EExtended strand (participates in β ladder)trans-145.4139.8177.1-57.6178.7-169.8161.10109.1G226 Q227 P236 Y240G226-K238 CarbonylContact C-O 3.26Å; G226-K238 VanDerWaalsContact CA-O 3.29Å; G226-K238 WeakPolarHBondContact CA-O 3.33Å; Q227-K238 HydrophobicContact CB-CB 4.42Å; Q227-K238 PolarHBondContact N-O 2.89Å; Q227-K238 PolarHBondContact O-N 3.38Å; P236-K238 VanDerWaalsContact C-N 3.25Å; K238-Y240 HydrophobicContact CB-CE1 4.3Å; K238-Y240 HydrophobicContact CB-CE2 4.12Å; K238-Y240 HydrophobicContact CD-CE1 4.32Å; K238-Y240 WeakPolarHBondContact CD-OH 3.31Å
239L94.9Very high92.3Very high65 Ų6566.8 Ų66.834%0.3431%0.308SS..EExtended strand (participates in β ladder)trans-130.5115.3173.3176.861.8000108.4K223 P236K223-L239 HydrophobicContact CB-CD2 4.39Å; P236-L239 HydrophobicContact CG-CB 4.41Å
240Y94.4Very high92.3Very high17 Ų1765.2 Ų65.27%0.06730%0.3CS..EExtended strand (participates in β ladder)trans-99.4106.1-179.5-47.9-74000108.3G224 I225 K238 V259 H280 W282G224-Y240 WeakPolarHBondContact CA-O 3.31Å; I225-Y240 PolarHBondContact N-O 3.03Å; I225-Y240 VanDerWaalsContact O-CD2 3.3Å; I225-Y240 WeakPolarHBondContact O-CD2 3.43Å; I225-Y240 PolarHBondContact O-N 3.02Å; K238-Y240 HydrophobicContact CB-CE1 4.3Å; K238-Y240 HydrophobicContact CB-CE2 4.12Å; K238-Y240 HydrophobicContact CD-CE1 4.32Å; K238-Y240 WeakPolarHBondContact CD-OH 3.31Å; Y240-V259 HydrophobicContact CD1-CB 4.33Å; Y240-V259 HydrophobicContact CD1-CG1 3.87Å; Y240-V259 HydrophobicContact CD1-CG2 3.73Å; Y240-V259 HydrophobicContact CE1-CG2 4.11Å; Y240-V259 HydrophobicContact CG-CG2 4.02Å; Y240-H280 AromaticContact CE1-CD2 3.52Å; Y240-H280 AromaticContact CE1-NE2 3.51Å; Y240-H280 AromaticContact CZ-CD2 3.32Å; Y240-H280 AromaticContact CZ-CG 3.96Å; Y240-H280 AromaticContact CZ-NE2 3.52Å; Y240-H280 PolarHBondContact OH-CD2 3.24Å; Y240-H280 PolarHBondContact OH-CE1 2.86Å; Y240-H280 VanDerWaalsContact OH-CE1 3.28Å; Y240-H280 VanDerWaalsContact OH-CG 3.25Å; Y240-H280 PolarHBondContact OH-ND1 3.06Å; Y240-H280 PolarHBondContact OH-NE2 3.43Å; Y240-W282 AromaticContact CE2-CH2 3.87Å; Y240-W282 HydrophobicContact CE2-CH2 3.87Å; Y240-W282 HydrophobicContact CE2-CZ2 4.16Å
241Q94.4Very high92.3Very high73 Ų7368.2 Ų68.234%0.34131%0.307SS..EExtended strand (participates in β ladder)trans-71.3148.3-175.8-60-177-400110.8K223 K243 Q244 L245K223-Q241 WeakPolarHBondContact O-CA 2.74Å; Q241-K243 HydrophobicContact CB-CG 4.27Å; Q241-K243 PolarHBondContact O-N 3.44Å; Q241-Q244 HydrophobicContact CB-CG 4.31Å; Q241-Q244 WeakPolarHBondContact O-CA 3.43Å; Q241-Q244 WeakPolarHBondContact O-CB 3.45Å; Q241-Q244 PolarHBondContact O-N 3.36Å; Q241-L245 PolarHBondContact O-N 3.04Å
242W93.9Very high92.3Very high2 Ų264.4 Ų64.41%0.00829%0.289CS..G310 helixtrans-49.4-36.9179.9-66.4121.7000113.7I220 S221 Y222 I225 Q244 L245 A296 Q299 H300 Y303 V789I220-W242 HydrophobicContact CG2-CH2 3.99Å; I220-W242 HydrophobicContact CG2-CZ2 4.03Å; S221-W242 WeakPolarHBondContact O-CZ2 3.48Å; S221-W242 PolarHBondContact O-NE1 3.28Å; Y222-W242 VanDerWaalsContact O-CD1 3.31Å; Y222-W242 PolarHBondContact O-NE1 3.1Å; I225-W242 HydrophobicContact CD1-CH2 4.32Å; I225-W242 HydrophobicContact CD1-CZ3 4.21Å; I225-W242 HydrophobicContact CG1-CH2 3.87Å; I225-W242 HydrophobicContact CG1-CZ3 4.07Å; W242-Q244 PolarHBondContact O-N 3.28Å; W242-L245 HydrophobicContact CE3-CD1 3.71Å; W242-L245 HydrophobicContact CZ3-CD1 3.79Å; W242-L245 PolarHBondContact O-N 3.35Å; W242-A296 WeakPolarHBondContact CH2-O 3.39Å; W242-Q299 HydrophobicContact CH2-CB 4.05Å; W242-Q299 HydrophobicContact CZ2-CB 3.58Å; W242-H300 HydrophobicContact CD2-CB 4.29Å; W242-H300 AromaticContact CD2-ND1 3.79Å; W242-H300 HydrophobicContact CE3-CB 3.71Å; W242-H300 AromaticContact CE3-CG 3.91Å; W242-H300 AromaticContact CE3-ND1 3.51Å; W242-H300 AromaticContact CG-ND1 3.89Å; W242-H300 HydrophobicContact CH2-CB 4.39Å; W242-H300 HydrophobicContact CZ3-CB 3.78Å; W242-Y303 HydrophobicContact CB-CD1 3.7Å; W242-Y303 HydrophobicContact CB-CD2 4.33Å; W242-Y303 HydrophobicContact CB-CE1 3.77Å; W242-Y303 HydrophobicContact CB-CE2 4.39Å; W242-Y303 HydrophobicContact CB-CG 4.01Å; W242-Y303 AromaticContact CD1-CD2 3.89Å; W242-Y303 AromaticContact CD1-CG 3.82Å; W242-Y303 HydrophobicContact CG-CD1 4.15Å; W242-Y303 HydrophobicContact CG-CD2 4.39Å; W242-Y303 HydrophobicContact CG-CG 4.03Å; W242-V789 WeakPolarHBondContact O-CG1 3.47Å
243K90.6Very high92.5Very high138 Ų13868.3 Ų68.360%0.630%0.303SS*.G310 helixtrans-69-10177.181.1-166.7-166-152.40115.7Q241Q241-K243 HydrophobicContact CB-CG 4.27Å; Q241-K243 PolarHBondContact O-N 3.44Å
244Q90.9Very high92.8Very high47 Ų4770 Ų7022%0.2231%0.311CS..G310 helixtrans-106.6-14.7-179.7-59.1175.5-81.100112.3Q241 W242 V259 N260Q241-Q244 HydrophobicContact CB-CG 4.31Å; Q241-Q244 WeakPolarHBondContact O-CA 3.43Å; Q241-Q244 WeakPolarHBondContact O-CB 3.45Å; Q241-Q244 PolarHBondContact O-N 3.36Å; W242-Q244 PolarHBondContact O-N 3.28Å; Q244-V259 HydrophobicContact CB-CG1 4.11Å; Q244-V259 CarbonylContact O-C 3.38Å; Q244-V259 WeakPolarHBondContact O-CA 3.21Å; Q244-N260 PolarHBondContact O-N 3.44Å
245L92.3Very high93.1Very high0 Ų066 Ų660%029%0.29CS..EExtended strand (participates in β ladder)trans-79.8142.7176-47.9-172.6000108.4I225 Q241 W242 L248 V257 V259 V789 N790I225-L245 HydrophobicContact CD1-CD1 3.8Å; I225-L245 HydrophobicContact CG1-CD1 4.12Å; Q241-L245 PolarHBondContact O-N 3.04Å; W242-L245 HydrophobicContact CE3-CD1 3.71Å; W242-L245 HydrophobicContact CZ3-CD1 3.79Å; W242-L245 PolarHBondContact O-N 3.35Å; L245-L248 HydrophobicContact CD1-CD2 3.94Å; L245-V257 HydrophobicContact CD1-CG1 4.17Å; L245-V257 HydrophobicContact CD2-CG1 3.55Å; L245-V257 HydrophobicContact CG-CG1 4.34Å; L245-V259 HydrophobicContact CD2-CG1 4.43Å; L245-V259 HydrophobicContact CD2-CG2 3.79Å; L245-V789 HydrophobicContact CB-CB 4.31Å; L245-V789 HydrophobicContact CB-CG1 3.95Å; L245-V789 HydrophobicContact CB-CG2 3.89Å; L245-V789 WeakPolarHBondContact O-CG1 3.22Å; L245-N790 PolarHBondContact O-ND2 3.33Å
246E90Very high93.3Very high56 Ų5659 Ų5926%0.26226%0.26SS..EExtended strand (participates in β ladder)trans-114.3-48.6174.3-69.1-165.5-174.100111.8E258 N260 L277 N788 V789E246-E258 PolarHBondContact N-O 2.81Å; E246-N260 HydrophobicContact CG-CB 4.28Å; E246-N260 WeakPolarHBondContact OE1-CB 3.33Å; E246-N260 PolarHBondContact OE1-ND2 3.5Å; E246-L277 VanDerWaalsContact CD-CD2 3.48Å; E246-L277 HydrophobicContact CG-CD2 4.17Å; E246-L277 WeakPolarHBondContact OE2-CD2 3.35Å; E246-N788 PolarHBondContact O-OD1 2.88Å; E246-V789 WeakPolarHBondContact O-CB 3.28Å; E246-V789 PolarHBondContact O-N 3.19Å
247N91.8Very high93.4Very high18 Ų1856.9 Ų56.910%0.09625%0.246CC..EExtended strand (participates in β ladder)trans-133.5144.3175-61.5-67.7000111Y249 E258 H786 Y787 N788N247-Y249 HydrophobicContact CB-CD2 4.43Å; N247-Y249 HydrophobicContact CB-CE1 4.48Å; N247-Y249 HydrophobicContact CB-CE2 3.54Å; N247-Y249 VanDerWaalsContact CB-OH 3.32Å; N247-Y249 WeakPolarHBondContact CB-OH 3.47Å; N247-E258 HydrophobicContact CB-CB 4.27Å; N247-E258 PolarHBondContact ND2-OE2 3.09Å; N247-E258 PolarHBondContact O-N 3.07Å; N247-H786 VanDerWaalsContact CG-NE2 3.3Å; N247-H786 PolarHBondContact OD1-NE2 3Å; N247-Y787 WeakPolarHBondContact CA-O 3.32Å; N247-N788 PolarHBondContact OD1-ND2 2.71Å
248L94.7Very high93.4Very high0 Ų050.6 Ų50.60%022%0.223CC..EExtended strand (participates in β ladder)trans-106.5147.8162.8-42.6-179.6000107.7I225 L245 F255 V257 W293 A296 I297 Y787 V789I225-L248 HydrophobicContact CD1-CD2 4.28Å; L245-L248 HydrophobicContact CD1-CD2 3.94Å; L248-F255 HydrophobicContact CB-CE2 4.47Å; L248-V257 HydrophobicContact CD2-CB 4.38Å; L248-V257 HydrophobicContact CD2-CG1 3.87Å; L248-V257 HydrophobicContact CD2-CG2 4.01Å; L248-W293 VanDerWaalsContact C-CH2 3.48Å; L248-W293 VanDerWaalsContact C-CZ3 3.44Å; L248-W293 HydrophobicContact CB-CE3 4.35Å; L248-W293 HydrophobicContact CB-CH2 3.63Å; L248-W293 HydrophobicContact CB-CZ3 3.33Å; L248-W293 VanDerWaalsContact O-CH2 3.3Å; L248-W293 WeakPolarHBondContact O-CH2 3.32Å; L248-A296 HydrophobicContact CD1-CB 3.89Å; L248-I297 HydrophobicContact CD1-CG2 4.21Å; L248-Y787 HydrophobicContact CD1-CD1 3.85Å; L248-Y787 HydrophobicContact CG-CD1 4.12Å; L248-Y787 PolarHBondContact N-O 2.92Å; L248-Y787 PolarHBondContact O-N 3.1Å; L248-Y787 VanDerWaalsContact O-N 3.09Å; L248-V789 HydrophobicContact CD2-CG2 4.08Å; L248-V789 HydrophobicContact CG-CG2 3.92Å
249Y93.6Very high93.4Very high75 Ų7546.6 Ų46.629%0.29421%0.207SC..EExtended strand (participates in β ladder)trans-134.4142.9171.3-48-100.2000110.4N247 F255 A256 E258 W293 H786N247-Y249 HydrophobicContact CB-CD2 4.43Å; N247-Y249 HydrophobicContact CB-CE1 4.48Å; N247-Y249 HydrophobicContact CB-CE2 3.54Å; N247-Y249 VanDerWaalsContact CB-OH 3.32Å; N247-Y249 WeakPolarHBondContact CB-OH 3.47Å; Y249-F255 WeakPolarHBondContact O-CD2 3.31Å; Y249-A256 HydrophobicContact CD2-CB 4.38Å; Y249-A256 PolarHBondContact N-O 3.27Å; Y249-A256 PolarHBondContact O-N 3.25Å; Y249-E258 HydrophobicContact CE2-CB 4.16Å; Y249-E258 PolarHBondContact OH-OE2 2.97Å; Y249-W293 VanDerWaalsContact N-CZ3 3.34Å; Y249-H786 AromaticContact CD1-CD2 3.59Å; Y249-H786 AromaticContact CE1-CD2 3.24Å; Y249-H786 WeakPolarHBondContact CE1-CD2 3.33Å
250F93.2Very high93Very high2 Ų246.3 Ų46.31%0.00921%0.206CC..EExtended strand (participates in β ladder)trans-128.7144.2158.894.9-87.1000110.7K254 I289 W293 Y779 V783 E784 G785F250-K254 WeakPolarHBondContact CA-O 3.35Å; F250-I289 HydrophobicContact CB-CG2 3.88Å; F250-I289 HydrophobicContact CD2-CG2 4.02Å; F250-I289 HydrophobicContact CG-CG2 4.36Å; F250-W293 HydrophobicContact CB-CB 4.38Å; F250-W293 HydrophobicContact CB-CD2 4.03Å; F250-W293 HydrophobicContact CB-CE3 3.71Å; F250-W293 HydrophobicContact CB-CG 4.31Å; F250-W293 HydrophobicContact CB-CZ3 4.29Å; F250-W293 HydrophobicContact CD1-CB 4.24Å; F250-W293 AromaticContact CD1-CD1 3.72Å; F250-W293 AromaticContact CD1-CD2 3.47Å; F250-W293 HydrophobicContact CD1-CD2 3.47Å; F250-W293 VanDerWaalsContact CD1-CD2 3.47Å; F250-W293 AromaticContact CD1-CE2 3.66Å; F250-W293 AromaticContact CD1-CE3 3.99Å; F250-W293 HydrophobicContact CD1-CE3 3.99Å; F250-W293 AromaticContact CD1-CG 3.54Å; F250-W293 HydrophobicContact CD1-CG 3.54Å; F250-W293 HydrophobicContact CD1-CZ2 4.3Å; F250-W293 AromaticContact CD1-NE1 3.76Å; F250-W293 AromaticContact CE1-CD1 3.89Å; F250-W293 HydrophobicContact CE1-CD2 4.36Å; F250-W293 HydrophobicContact CE1-CG 4.16Å; F250-W293 AromaticContact CE1-NE1 3.93Å; F250-W293 HydrophobicContact CG-CB 4.36Å; F250-W293 HydrophobicContact CG-CD2 4.12Å; F250-W293 HydrophobicContact CG-CE3 4.3Å; F250-W293 HydrophobicContact CG-CG 4.11Å; F250-Y779 HydrophobicContact CE1-CE1 4.21Å; F250-Y779 HydrophobicContact CZ-CE1 4.25Å; F250-V783 VanDerWaalsContact CE2-C 3.43Å; F250-V783 WeakPolarHBondContact CE2-O 3.39Å; F250-E784 WeakPolarHBondContact O-CA 3.4Å; F250-G785 VanDerWaalsContact CE1-N 3.32Å; F250-G785 PolarHBondContact N-O 3.27Å; F250-G785 PolarHBondContact O-N 2.98Å
251R92.4Very high92.1Very high126 Ų12647.7 Ų47.748%0.47521%0.214SC..EExtended strand (participates in β ladder)trans-148.2120.4171.8-173.4-171.6-172.2112.24.7109.6K253 K254 V783 E784R251-K253 PolarHBondContact O-N 3.4Å; R251-K254 PolarHBondContact N-O 2.84Å; R251-K254 WeakPolarHBondContact O-CB 3.33Å; R251-K254 PolarHBondContact O-N 3.3Å; R251-V783 CarbonylContact C-O 3.55Å; R251-V783 WeakPolarHBondContact CA-O 3.3Å; R251-E784 HydrophobicContact CB-CG 4.2Å; R251-E784 WeakPolarHBondContact CD-OE1 3.35Å; R251-E784 HydrophobicContact CG-CB 4.32Å; R251-E784 HydrophobicContact CG-CG 4.15Å; R251-E784 WeakPolarHBondContact CG-OE1 3.22Å; R251-E784 IonicContact CZ-OE1 2.63Å; R251-E784 IonicContact CZ-OE2 2.8Å; R251-E784 IonicContact NE-OE1 3.77Å; R251-E784 IonicContact NE-OE2 2.75Å; R251-E784 IonicContact NH1-OE1 3.89Å; R251-E784 PolarHBondContact NH1-OE1 3.32Å; R251-E784 IonicContact NH1-OE2 2.8Å; R251-E784 PolarHBondContact NH1-OE2 2.79Å; R251-E784 IonicContact NH2-OE2 2.83Å
252E90.9Very high90.8Very high106 Ų10648.4 Ų48.450%0.49523%0.225SC..THydrogen-bonded Turntrans48.6-101.5179.4-61.4166-134.300112.6H286 V783E252-H286 WeakPolarHBondContact O-CA 3.3Å; E252-H286 WeakPolarHBondContact O-CB 3.37Å; E252-H286 PolarHBondContact O-ND1 3.43Å; E252-V783 PolarHBondContact N-O 2.79Å
253K94.5Very high89.3Confident137 Ų13756 Ų5660%0.59626%0.26SS*.THydrogen-bonded Turntrans-101.25.5-177.3-66.5178.9-175.6170.80113.6R251 Y283 A284R251-K253 PolarHBondContact O-N 3.4Å; K253-Y283 CarbonylContact O-C 3.59Å; K253-Y283 WeakPolarHBondContact O-CA 3.5Å; K253-A284 VanDerWaalsContact CB-O 3.31Å; K253-A284 WeakPolarHBondContact CB-O 3.28Å; K253-A284 PolarHBondContact O-N 3.27Å
254K95.6Very high87.8Confident81 Ų8156.2 Ų56.235%0.35226%0.258SS..EExtended strand (participates in β ladder)trans-117.2128.9-175.7-179-169.9175.8-158.70110.9F250 R251 W282 Y283F250-K254 WeakPolarHBondContact CA-O 3.35Å; R251-K254 PolarHBondContact N-O 2.84Å; R251-K254 WeakPolarHBondContact O-CB 3.33Å; R251-K254 PolarHBondContact O-N 3.3Å; K254-W282 WeakPolarHBondContact CA-O 3.36Å; K254-Y283 HydrophobicContact CB-CD1 3.94Å; K254-Y283 HydrophobicContact CB-CE1 3.74Å; K254-Y283 HydrophobicContact CD-CE1 4.04Å; K254-Y283 HydrophobicContact CG-CD1 4.2Å; K254-Y283 HydrophobicContact CG-CE1 3.63Å
255F97.1Very high85.7Confident0 Ų064.7 Ų64.70%029%0.288CS..EExtended strand (participates in β ladder)trans-106.8139.2162.7177-121.7000108L218 I225 L248 Y249 V257 T281 W282 I289 I292 W293 A296L218-F255 HydrophobicContact CD2-CD1 3.83Å; L218-F255 HydrophobicContact CD2-CE1 3.91Å; I225-F255 HydrophobicContact CD1-CE1 4.41Å; I225-F255 HydrophobicContact CD1-CZ 4.11Å; L248-F255 HydrophobicContact CB-CE2 4.47Å; Y249-F255 WeakPolarHBondContact O-CD2 3.31Å; F255-V257 HydrophobicContact CD1-CG2 4.16Å; F255-V257 HydrophobicContact CE1-CG2 3.38Å; F255-V257 HydrophobicContact CE2-CG2 4.19Å; F255-V257 HydrophobicContact CZ-CG2 3.4Å; F255-V257 VanDerWaalsContact CZ-CG2 3.4Å; F255-T281 CarbonylContact O-C 3.52Å; F255-T281 WeakPolarHBondContact O-CA 3.49Å; F255-W282 AromaticContact CD1-CE3 3.95Å; F255-W282 HydrophobicContact CD1-CE3 3.95Å; F255-W282 HydrophobicContact CD1-CZ3 4.44Å; F255-W282 HydrophobicContact CE1-CE3 4.39Å; F255-W282 HydrophobicContact CE1-CZ3 4.46Å; F255-W282 PolarHBondContact N-O 3.01Å; F255-W282 PolarHBondContact O-N 2.72Å; F255-I289 HydrophobicContact CB-CD1 3.81Å; F255-I289 HydrophobicContact CB-CG2 4.27Å; F255-I292 HydrophobicContact CD1-CG2 3.72Å; F255-I292 HydrophobicContact CD2-CG2 4.28Å; F255-I292 HydrophobicContact CE1-CG2 3.81Å; F255-I292 HydrophobicContact CE2-CG2 4.36Å; F255-I292 HydrophobicContact CG-CG2 3.96Å; F255-I292 HydrophobicContact CZ-CG2 4.13Å; F255-W293 AromaticContact CD2-CE3 3.9Å; F255-W293 HydrophobicContact CD2-CE3 3.9Å; F255-W293 HydrophobicContact CD2-CZ3 4.37Å; F255-W293 AromaticContact CE2-CE3 3.67Å; F255-W293 HydrophobicContact CE2-CE3 3.67Å; F255-W293 HydrophobicContact CE2-CZ3 4.01Å; F255-A296 HydrophobicContact CZ-CB 4.25Å
256A95.4Very high83.6Confident3 Ų370.3 Ų70.33%0.02532%0.322CS..EExtended strand (participates in β ladder)trans-137.7146.7176.100000111.6Y249 I279 H280 T281Y249-A256 HydrophobicContact CD2-CB 4.38Å; Y249-A256 PolarHBondContact N-O 3.27Å; Y249-A256 PolarHBondContact O-N 3.25Å; A256-I279 HydrophobicContact CB-CG2 4.17Å; A256-H280 CarbonylContact C-O 3.59Å; A256-H280 WeakPolarHBondContact CA-O 3.45Å; A256-T281 HydrophobicContact CB-CG2 3.95Å
257V95.1Very high81.5Confident0 Ų072.5 Ų72.50%034%0.339CS..EExtended strand (participates in β ladder)trans-133.7123.4-176.9178.60000108.1I225 L245 L248 F255 V259 I279 H280 W282I225-V257 HydrophobicContact CD1-CG2 4.05Å; L245-V257 HydrophobicContact CD1-CG1 4.17Å; L245-V257 HydrophobicContact CD2-CG1 3.55Å; L245-V257 HydrophobicContact CG-CG1 4.34Å; L248-V257 HydrophobicContact CD2-CB 4.38Å; L248-V257 HydrophobicContact CD2-CG1 3.87Å; L248-V257 HydrophobicContact CD2-CG2 4.01Å; F255-V257 HydrophobicContact CD1-CG2 4.16Å; F255-V257 HydrophobicContact CE1-CG2 3.38Å; F255-V257 HydrophobicContact CE2-CG2 4.19Å; F255-V257 HydrophobicContact CZ-CG2 3.4Å; F255-V257 VanDerWaalsContact CZ-CG2 3.4Å; V257-V259 HydrophobicContact CG1-CG2 3.93Å; V257-I279 WeakPolarHBondContact O-CA 3.27Å; V257-H280 PolarHBondContact N-O 3.12Å; V257-H280 PolarHBondContact O-N 3.1Å; V257-W282 HydrophobicContact CB-CZ3 4.07Å; V257-W282 HydrophobicContact CG2-CZ3 3.83Å
258E93.4Very high79.3Confident25 Ų2576.3 Ų76.312%0.11736%0.363CS..EExtended strand (participates in β ladder)trans-93.5118.6175.2-175.6167.6-132.400109.8E246 N247 Y249 L277 I279E246-E258 PolarHBondContact N-O 2.81Å; N247-E258 HydrophobicContact CB-CB 4.27Å; N247-E258 PolarHBondContact ND2-OE2 3.09Å; N247-E258 PolarHBondContact O-N 3.07Å; Y249-E258 HydrophobicContact CE2-CB 4.16Å; Y249-E258 PolarHBondContact OH-OE2 2.97Å; E258-L277 HydrophobicContact CG-CB 3.9Å; E258-L277 HydrophobicContact CG-CD1 4.15Å; E258-L277 HydrophobicContact CG-CD2 4.26Å; E258-L277 HydrophobicContact CG-CG 4.29Å; E258-L277 WeakPolarHBondContact OE1-CD1 3.24Å; E258-I279 HydrophobicContact CB-CG1 4.24Å; E258-I279 HydrophobicContact CG-CG1 4.13Å
259V91.3Very high77.1Confident8 Ų886.9 Ų86.95%0.04841%0.409CS..EExtended strand (participates in β ladder)trans-116.7127-174.1-171.30000110.3Y240 Q244 L245 V257 D261 L277 L278Y240-V259 HydrophobicContact CD1-CB 4.33Å; Y240-V259 HydrophobicContact CD1-CG1 3.87Å; Y240-V259 HydrophobicContact CD1-CG2 3.73Å; Y240-V259 HydrophobicContact CE1-CG2 4.11Å; Y240-V259 HydrophobicContact CG-CG2 4.02Å; Q244-V259 HydrophobicContact CB-CG1 4.11Å; Q244-V259 CarbonylContact O-C 3.38Å; Q244-V259 WeakPolarHBondContact O-CA 3.21Å; L245-V259 HydrophobicContact CD2-CG1 4.43Å; L245-V259 HydrophobicContact CD2-CG2 3.79Å; V257-V259 HydrophobicContact CG1-CG2 3.93Å; V259-D261 PolarHBondContact O-N 2.94Å; V259-L277 CarbonylContact O-C 3.48Å; V259-L277 WeakPolarHBondContact O-CA 3.49Å; V259-L278 PolarHBondContact N-O 2.99Å; V259-L278 PolarHBondContact O-N 3.16Å
260N87.6Confident74.9Confident59 Ų5994.8 Ų94.832%0.31644%0.438SS..EExtended strand (participates in β ladder)trans-78114.6168.8-168.3-28.5000110.2Q244 E246 P262 L277Q244-N260 PolarHBondContact O-N 3.44Å; E246-N260 HydrophobicContact CG-CB 4.28Å; E246-N260 WeakPolarHBondContact OE1-CB 3.33Å; E246-N260 PolarHBondContact OE1-ND2 3.5Å; N260-P262 WeakPolarHBondContact O-CD 3.4Å; N260-L277 HydrophobicContact CB-CD2 3.75Å
261D75.5Confident72.9Confident45 Ų4599.3 Ų99.324%0.24147%0.466CS..  trans-95110.1173.9173.127000111V259 H263 R264 G276V259-D261 PolarHBondContact O-N 2.94Å; D261-H263 PolarHBondContact O-N 2.84Å; D261-H263 VanDerWaalsContact O-N 3.16Å; D261-H263 WeakPolarHBondContact OD1-CB 3.48Å; D261-H263 IonicContact OD1-CG 2.7Å; D261-H263 PolarHBondContact OD1-N 2.95Å; D261-H263 IonicContact OD1-ND1 3.82Å; D261-H263 PolarHBondContact OD1-ND1 3.42Å; D261-R264 HydrophobicContact CB-CB 4.44Å; D261-R264 PolarHBondContact O-N 3.23Å; D261-R264 PolarHBondContact OD2-N 3.13Å; D261-R264 VanDerWaalsContact OD2-N 3.09Å; D261-G276 PolarHBondContact N-O 3.3Å
262P66.6Low70.4Confident89 Ų89103.6 Ų103.658%0.57849%0.489SS*.THydrogen-bonded Turntrans-64.8-17.8177.8-21.134.2000114.3N260N260-P262 WeakPolarHBondContact O-CD 3.4Å
263H63.2Low68.3Low161 Ų161101.9 Ų101.975%0.74550%0.499SS*.THydrogen-bonded Turntrans-87.4-26.9-174.8-51.589000112.4D261 R265D261-H263 PolarHBondContact O-N 2.84Å; D261-H263 VanDerWaalsContact O-N 3.16Å; D261-H263 WeakPolarHBondContact OD1-CB 3.48Å; D261-H263 IonicContact OD1-CG 2.7Å; D261-H263 PolarHBondContact OD1-N 2.95Å; D261-H263 IonicContact OD1-ND1 3.82Å; D261-H263 PolarHBondContact OD1-ND1 3.42Å; H263-R265 PolarHBondContact O-N 2.8Å
264R58.3Low66.1Low143 Ų143102.4 Ų102.454%0.5450%0.504SS..SBendtrans-67.580.7160.1-92-173.1159.3-111.6-4.3110D261 T266D261-R264 HydrophobicContact CB-CB 4.44Å; D261-R264 PolarHBondContact O-N 3.23Å; D261-R264 PolarHBondContact OD2-N 3.13Å; D261-R264 VanDerWaalsContact OD2-N 3.09Å; R264-T266 PolarHBondContact O-N 3.15Å
265R48Very low64.2Low225 Ų225103.2 Ų103.285%0.84952%0.516SS*.  trans-42127.8168.1-67.3-176.1-176.7176.52109.2H263 V267H263-R265 PolarHBondContact O-N 2.8Å; R265-V267 PolarHBondContact O-N 3.43Å
266T48.3Very low62.6Low118 Ų118103.7 Ų103.772%0.72452%0.521SS*.  trans-53.4110.7172.749.30000109.3R264 T268R264-T266 PolarHBondContact O-N 3.15Å; T266-T268 PolarHBondContact O-N 2.93Å
267V45.3Very low61.7Low102 Ų102105.5 Ų105.562%0.61853%0.53SS*.  trans-56137.7168.3178.60000106.9R265R265-V267 PolarHBondContact O-N 3.43Å
268T44.2Very low61.3Low98 Ų98109.2 Ų109.260%0.60155%0.549SS*.  trans-52.3150.1-163.359.30000112.9T266 R270 T271T266-T268 PolarHBondContact O-N 2.93Å; T268-R270 PolarHBondContact O-N 3.36Å; T268-T271 PolarHBondContact O-N 3.27Å; T268-T271 VanDerWaalsContact O-N 3.14Å
269K49.8Very low61.2Low222 Ų222112.4 Ų112.497%0.96557%0.566SS**THydrogen-bonded Turntrans-54.611.1-176.5-67.5-171.5174.1-174.40117.3
270R47.8Very low61.2Low240 Ų240113.4 Ų113.491%0.90657%0.57SS**THydrogen-bonded Turntrans-97.8-9.3173.1-67.1-179.2176.6158.9-1113.7T268T268-R270 PolarHBondContact O-N 3.36Å
271T49.8Very low61.6Low97 Ų97111.8 Ų111.860%0.59556%0.563SS**SBendtrans-109.1115.4175.2-37.90000110.1T268T268-T271 PolarHBondContact O-N 3.27Å; T268-T271 VanDerWaalsContact O-N 3.14Å
272F41.3Very low62.6Low217 Ų217109.8 Ų109.895%0.95255%0.552SS**  trans-76.8135.1-179.7-156-94.2000110.1
273G45.4Very low64.1Low70 Ų70109.1 Ų109.172%0.72254%0.538SS*.SBendtrans98.512.5160.900000119.8
274Q48.5Very low65.6Low147 Ų147102.7 Ų102.769%0.68751%0.513SS*.  trans-130.596.2163-71.2-16813.900111.8
275T56.1Low67.3Low98 Ų9899.1 Ų99.160%0.60151%0.51SS*.  trans-64.8169.415845.90000110.3L277T275-L277 HydrophobicContact CG2-CD1 4.49Å; T275-L277 PolarHBondContact O-N 3.33Å; T275-L277 VanDerWaalsContact OG1-CD1 3.31Å; T275-L277 WeakPolarHBondContact OG1-CD1 3.38Å; T275-L277 WeakPolarHBondContact OG1-CG 3.41Å
276G62.4Low69.4Low10 Ų1091.4 Ų91.410%0.10348%0.483CS..SBendtrans-71.120.917500000114.6D261D261-G276 PolarHBondContact N-O 3.3Å
277L77.6Confident71.4Confident42 Ų4287.9 Ų87.922%0.2246%0.463CS..EExtended strand (participates in β ladder)trans-90.7129.5-169.3-58.3177.1000111.1E246 E258 V259 N260 T275E246-L277 VanDerWaalsContact CD-CD2 3.48Å; E246-L277 HydrophobicContact CG-CD2 4.17Å; E246-L277 WeakPolarHBondContact OE2-CD2 3.35Å; E258-L277 HydrophobicContact CG-CB 3.9Å; E258-L277 HydrophobicContact CG-CD1 4.15Å; E258-L277 HydrophobicContact CG-CD2 4.26Å; E258-L277 HydrophobicContact CG-CG 4.29Å; E258-L277 WeakPolarHBondContact OE1-CD1 3.24Å; V259-L277 CarbonylContact O-C 3.48Å; V259-L277 WeakPolarHBondContact O-CA 3.49Å; N260-L277 HydrophobicContact CB-CD2 3.75Å; T275-L277 HydrophobicContact CG2-CD1 4.49Å; T275-L277 PolarHBondContact O-N 3.33Å; T275-L277 VanDerWaalsContact OG1-CD1 3.31Å; T275-L277 WeakPolarHBondContact OG1-CD1 3.38Å; T275-L277 WeakPolarHBondContact OG1-CG 3.41Å
278L86.8Confident73.6Confident78 Ų7883.8 Ų83.841%0.40844%0.438SS..EExtended strand (participates in β ladder)trans-119.6110.7179.2-175.958.9000108.9V259 H280V259-L278 PolarHBondContact N-O 2.99Å; V259-L278 PolarHBondContact O-N 3.16Å; L278-H280 VanDerWaalsContact CD2-NE2 3.33Å; L278-H280 WeakPolarHBondContact CD2-NE2 3.49Å
279I91Very high76Confident91 Ų9179.1 Ų79.147%0.46741%0.409SS..EExtended strand (participates in β ladder)trans-85.9116.4178.4-56.6176.1000109.1A256 V257 E258 T281A256-I279 HydrophobicContact CB-CG2 4.17Å; V257-I279 WeakPolarHBondContact O-CA 3.27Å; E258-I279 HydrophobicContact CB-CG1 4.24Å; E258-I279 HydrophobicContact CG-CG1 4.13Å; I279-T281 HydrophobicContact CG2-CG2 4.1Å
280H92.2Very high78Confident30 Ų3069.8 Ų69.814%0.13937%0.369CS..EExtended strand (participates in β ladder)trans-96.4145.4169.3-68-63.8000110.5Y240 A256 V257 L278 W282Y240-H280 AromaticContact CE1-CD2 3.52Å; Y240-H280 AromaticContact CE1-NE2 3.51Å; Y240-H280 AromaticContact CZ-CD2 3.32Å; Y240-H280 AromaticContact CZ-CG 3.96Å; Y240-H280 AromaticContact CZ-NE2 3.52Å; Y240-H280 PolarHBondContact OH-CD2 3.24Å; Y240-H280 PolarHBondContact OH-CE1 2.86Å; Y240-H280 VanDerWaalsContact OH-CE1 3.28Å; Y240-H280 VanDerWaalsContact OH-CG 3.25Å; Y240-H280 PolarHBondContact OH-ND1 3.06Å; Y240-H280 PolarHBondContact OH-NE2 3.43Å; A256-H280 CarbonylContact C-O 3.59Å; A256-H280 WeakPolarHBondContact CA-O 3.45Å; V257-H280 PolarHBondContact N-O 3.12Å; V257-H280 PolarHBondContact O-N 3.1Å; L278-H280 VanDerWaalsContact CD2-NE2 3.33Å; L278-H280 WeakPolarHBondContact CD2-NE2 3.49Å; H280-W282 HydrophobicContact CB-CH2 3.41Å; H280-W282 VanDerWaalsContact CB-CH2 3.41Å; H280-W282 HydrophobicContact CB-CZ2 3.92Å; H280-W282 HydrophobicContact CB-CZ3 3.77Å
281T95.4Very high80.1Confident25 Ų2559.3 Ų59.315%0.15333%0.332CS..EExtended strand (participates in β ladder)trans-138130.9-174.868.50000111.7F255 A256 I279 Y283F255-T281 CarbonylContact O-C 3.52Å; F255-T281 WeakPolarHBondContact O-CA 3.49Å; A256-T281 HydrophobicContact CB-CG2 3.95Å; I279-T281 HydrophobicContact CG2-CG2 4.1Å; T281-Y283 PolarHBondContact OG1-OH 3.39Å
282W96.9Very high82.3Confident3 Ų354.7 Ų54.71%0.01130%0.303CS..EExtended strand (participates in β ladder)trans-127.5155.7176-58.9-87000111V208 K209 L218 Q227 Y240 K254 F255 V257 H280V208-W282 HydrophobicContact CB-CB 4Å; V208-W282 HydrophobicContact CG2-CB 3.82Å; V208-W282 HydrophobicContact CG2-CG 3.86Å; K209-W282 CarbonylContact O-C 3.54Å; K209-W282 WeakPolarHBondContact O-CA 3.29Å; L218-W282 HydrophobicContact CD1-CD2 4.09Å; L218-W282 HydrophobicContact CD1-CE3 4.25Å; L218-W282 HydrophobicContact CD1-CH2 4.22Å; L218-W282 HydrophobicContact CD1-CZ2 4.08Å; L218-W282 HydrophobicContact CD1-CZ3 4.31Å; Q227-W282 HydrophobicContact CB-CZ2 4.39Å; Y240-W282 AromaticContact CE2-CH2 3.87Å; Y240-W282 HydrophobicContact CE2-CH2 3.87Å; Y240-W282 HydrophobicContact CE2-CZ2 4.16Å; K254-W282 WeakPolarHBondContact CA-O 3.36Å; F255-W282 AromaticContact CD1-CE3 3.95Å; F255-W282 HydrophobicContact CD1-CE3 3.95Å; F255-W282 HydrophobicContact CD1-CZ3 4.44Å; F255-W282 HydrophobicContact CE1-CE3 4.39Å; F255-W282 HydrophobicContact CE1-CZ3 4.46Å; F255-W282 PolarHBondContact N-O 3.01Å; F255-W282 PolarHBondContact O-N 2.72Å; V257-W282 HydrophobicContact CB-CZ3 4.07Å; V257-W282 HydrophobicContact CG2-CZ3 3.83Å; H280-W282 HydrophobicContact CB-CH2 3.41Å; H280-W282 VanDerWaalsContact CB-CH2 3.41Å; H280-W282 HydrophobicContact CB-CZ2 3.92Å; H280-W282 HydrophobicContact CB-CZ3 3.77Å
283Y97.1Very high84.8Confident74 Ų7444.4 Ų44.429%0.2926%0.258SS..EExtended strand (participates in β ladder)trans-131.7136.2-170.4-57.3-94000111.1K209 K211 K253 K254 T281K209-Y283 PolarHBondContact N-O 3.01Å; K209-Y283 PolarHBondContact O-N 2.83Å; K211-Y283 HydrophobicContact CB-CE2 3.99Å; K253-Y283 CarbonylContact O-C 3.59Å; K253-Y283 WeakPolarHBondContact O-CA 3.5Å; K254-Y283 HydrophobicContact CB-CD1 3.94Å; K254-Y283 HydrophobicContact CB-CE1 3.74Å; K254-Y283 HydrophobicContact CD-CE1 4.04Å; K254-Y283 HydrophobicContact CG-CD1 4.2Å; K254-Y283 HydrophobicContact CG-CE1 3.63Å; T281-Y283 PolarHBondContact OG1-OH 3.39Å
284A95.7Very high87.1Confident26 Ų2642 Ų4222%0.21523%0.229CC..  trans-156.8-165.7179.200000111V208 K253 L288 I289V208-A284 HydrophobicContact CG1-CB 4.41Å; K253-A284 VanDerWaalsContact CB-O 3.31Å; K253-A284 WeakPolarHBondContact CB-O 3.28Å; K253-A284 PolarHBondContact O-N 3.27Å; A284-L288 HydrophobicContact CB-CB 4.27Å; A284-L288 HydrophobicContact CB-CD2 4.1Å; A284-L288 HydrophobicContact CB-CG 4.23Å; A284-I289 HydrophobicContact CB-CD1 3.79Å; A284-I289 HydrophobicContact CB-CG1 3.99Å
285S93.4Very high89.2Confident69 Ų6935.1 Ų35.148%0.48320%0.197SC..  trans-67.9149.216976.20000110.4S287 L288 I289S285-S287 VanDerWaalsContact C-N 3.29Å; S285-S287 PolarHBondContact O-N 3.5Å; S285-L288 PolarHBondContact O-N 2.82Å; S285-L288 VanDerWaalsContact OG-CB 3.31Å; S285-L288 WeakPolarHBondContact OG-CB 3.33Å; S285-L288 PolarHBondContact OG-N 3.31Å; S285-I289 WeakPolarHBondContact O-CG1 3.49Å; S285-I289 PolarHBondContact O-N 3.49Å
286H91.8Very high91.1Very high63 Ų6330.5 Ų30.529%0.29217%0.169SC..Hα-helixtrans-57.8-40.7-178.4170.954.8000112.6E252 L288 I289 K290 E782E252-H286 WeakPolarHBondContact O-CA 3.3Å; E252-H286 WeakPolarHBondContact O-CB 3.37Å; E252-H286 PolarHBondContact O-ND1 3.43Å; H286-L288 VanDerWaalsContact C-N 3.32Å; H286-L288 PolarHBondContact O-N 2.88Å; H286-I289 PolarHBondContact O-N 3.28Å; H286-K290 WeakPolarHBondContact O-CB 3.21Å; H286-K290 PolarHBondContact O-N 3.1Å; H286-E782 PolarHBondContact CE1-O 3.23Å
287S89.8Confident92.6Very high43 Ų4331.1 Ų31.130%0.30117%0.169SC..Hα-helixtrans-62.1-37174.9-179.40000113K58 S285 T291K58-S287 VanDerWaalsContact CE-OG 3.25Å; K58-S287 WeakPolarHBondContact CE-OG 3.11Å; K58-S287 PolarHBondContact NZ-OG 3.04Å; S285-S287 VanDerWaalsContact C-N 3.29Å; S285-S287 PolarHBondContact O-N 3.5Å; S287-T291 PolarHBondContact O-N 2.96Å; S287-T291 VanDerWaalsContact O-N 3.08Å; S287-T291 PolarHBondContact O-OG1 2.67Å
288L92.8Very high93.4Very high17 Ų1730 Ų309%0.08917%0.165CC..Hα-helixtrans-73.2-40.9178.2-175.949.9000111.1F206 E207 A284 S285 H286 K290 T291 I292F206-L288 HydrophobicContact CB-CD1 4.26Å; F206-L288 HydrophobicContact CD1-CD1 3.73Å; F206-L288 HydrophobicContact CG-CD1 4.39Å; E207-L288 WeakPolarHBondContact O-CD2 3.29Å; A284-L288 HydrophobicContact CB-CB 4.27Å; A284-L288 HydrophobicContact CB-CD2 4.1Å; A284-L288 HydrophobicContact CB-CG 4.23Å; S285-L288 PolarHBondContact O-N 2.82Å; S285-L288 VanDerWaalsContact OG-CB 3.31Å; S285-L288 WeakPolarHBondContact OG-CB 3.33Å; S285-L288 PolarHBondContact OG-N 3.31Å; H286-L288 VanDerWaalsContact C-N 3.32Å; H286-L288 PolarHBondContact O-N 2.88Å; L288-K290 PolarHBondContact O-N 3.24Å; L288-T291 WeakPolarHBondContact O-CB 3.32Å; L288-T291 PolarHBondContact O-N 3.46Å; L288-T291 VanDerWaalsContact O-N 3.09Å; L288-I292 HydrophobicContact CD1-CD1 4.28Å; L288-I292 HydrophobicContact CD1-CG1 4.36Å; L288-I292 HydrophobicContact CG-CD1 4Å; L288-I292 WeakPolarHBondContact O-CB 3.48Å; L288-I292 VanDerWaalsContact O-CG1 3.32Å; L288-I292 WeakPolarHBondContact O-CG1 3.35Å; L288-I292 PolarHBondContact O-N 3.4Å
289I95Very high93.7Very high0 Ų026.4 Ų26.40%015%0.146CC..Hα-helixtrans-59.6-44.9172.7-65.2-63.1000111.5F250 F255 A284 S285 H286 T291 I292 W293F250-I289 HydrophobicContact CB-CG2 3.88Å; F250-I289 HydrophobicContact CD2-CG2 4.02Å; F250-I289 HydrophobicContact CG-CG2 4.36Å; F255-I289 HydrophobicContact CB-CD1 3.81Å; F255-I289 HydrophobicContact CB-CG2 4.27Å; A284-I289 HydrophobicContact CB-CD1 3.79Å; A284-I289 HydrophobicContact CB-CG1 3.99Å; S285-I289 WeakPolarHBondContact O-CG1 3.49Å; S285-I289 PolarHBondContact O-N 3.49Å; H286-I289 PolarHBondContact O-N 3.28Å; I289-T291 VanDerWaalsContact C-N 3.25Å; I289-T291 PolarHBondContact O-N 3.25Å; I289-I292 HydrophobicContact CD1-CD1 4.42Å; I289-I292 PolarHBondContact O-N 2.88Å; I289-W293 WeakPolarHBondContact O-CB 3.34Å; I289-W293 PolarHBondContact O-N 2.94Å
290K91.7Very high93.9Very high26 Ų2622.1 Ų22.111%0.11312%0.124CC..Hα-helixtrans-62.6-30.8174.4-165.6175.4-176.5-179.50112.1H286 L288 V294 E782H286-K290 WeakPolarHBondContact O-CB 3.21Å; H286-K290 PolarHBondContact O-N 3.1Å; L288-K290 PolarHBondContact O-N 3.24Å; K290-V294 WeakPolarHBondContact O-CB 3.44Å; K290-V294 WeakPolarHBondContact O-CG2 3.49Å; K290-V294 PolarHBondContact O-N 3.35Å; K290-V294 VanDerWaalsContact O-N 3.16Å; K290-E782 IonicContact NZ-OE1 3.25Å; K290-E782 PolarHBondContact NZ-OE1 3.28Å
291T92.4Very high93.9Very high20 Ų2022.3 Ų22.312%0.12313%0.125CC..Hα-helixtrans-76.1-47.6176.6-53.40000111.9K58 F206 S287 L288 I289 W293 V294 M295K58-T291 HydrophobicContact CG-CG2 4.12Å; F206-T291 HydrophobicContact CE1-CG2 4.07Å; S287-T291 PolarHBondContact O-N 2.96Å; S287-T291 VanDerWaalsContact O-N 3.08Å; S287-T291 PolarHBondContact O-OG1 2.67Å; L288-T291 WeakPolarHBondContact O-CB 3.32Å; L288-T291 PolarHBondContact O-N 3.46Å; L288-T291 VanDerWaalsContact O-N 3.09Å; I289-T291 VanDerWaalsContact C-N 3.25Å; I289-T291 PolarHBondContact O-N 3.25Å; T291-W293 VanDerWaalsContact C-N 3.26Å; T291-W293 PolarHBondContact O-N 3.45Å; T291-V294 PolarHBondContact O-N 3.34Å; T291-M295 WeakPolarHBondContact O-CB 3.45Å; T291-M295 PolarHBondContact O-N 2.98Å
292I95.2Very high93.7Very high0 Ų022 Ų220%012%0.122CC..Hα-helixtrans-53.5-46.3171.7-72.6163.1000110.1F206 V208 L218 I220 F255 L288 I289 M295 A296F206-I292 HydrophobicContact CB-CD1 3.81Å; F206-I292 HydrophobicContact CB-CG1 3.7Å; F206-I292 HydrophobicContact CD1-CG1 3.98Å; F206-I292 HydrophobicContact CD2-CG1 3.79Å; F206-I292 HydrophobicContact CE2-CG1 4.42Å; F206-I292 HydrophobicContact CG-CD1 4.23Å; F206-I292 HydrophobicContact CG-CG1 3.54Å; V208-I292 HydrophobicContact CG1-CD1 3.54Å; L218-I292 HydrophobicContact CD2-CD1 4.39Å; L218-I292 HydrophobicContact CD2-CG2 3.76Å; I220-I292 HydrophobicContact CD1-CG2 4.19Å; I220-I292 WeakPolarHBondContact CD1-O 3.4Å; F255-I292 HydrophobicContact CD1-CG2 3.72Å; F255-I292 HydrophobicContact CD2-CG2 4.28Å; F255-I292 HydrophobicContact CE1-CG2 3.81Å; F255-I292 HydrophobicContact CE2-CG2 4.36Å; F255-I292 HydrophobicContact CG-CG2 3.96Å; F255-I292 HydrophobicContact CZ-CG2 4.13Å; L288-I292 HydrophobicContact CD1-CD1 4.28Å; L288-I292 HydrophobicContact CD1-CG1 4.36Å; L288-I292 HydrophobicContact CG-CD1 4Å; L288-I292 WeakPolarHBondContact O-CB 3.48Å; L288-I292 VanDerWaalsContact O-CG1 3.32Å; L288-I292 WeakPolarHBondContact O-CG1 3.35Å; L288-I292 PolarHBondContact O-N 3.4Å; I289-I292 HydrophobicContact CD1-CD1 4.42Å; I289-I292 PolarHBondContact O-N 2.88Å; I292-M295 PolarHBondContact O-N 3.19Å; I292-A296 WeakPolarHBondContact O-CB 3.32Å; I292-A296 PolarHBondContact O-N 3.09Å
293W94.1Very high93.5Very high0 Ų025.1 Ų25.10%013%0.134CC..Hα-helixtrans-56.9-58.5177.6178.6-104000112.9L248 Y249 F250 F255 I289 T291 M295 A296 I297 Y777L248-W293 VanDerWaalsContact C-CH2 3.48Å; L248-W293 VanDerWaalsContact C-CZ3 3.44Å; L248-W293 HydrophobicContact CB-CE3 4.35Å; L248-W293 HydrophobicContact CB-CH2 3.63Å; L248-W293 HydrophobicContact CB-CZ3 3.33Å; L248-W293 VanDerWaalsContact O-CH2 3.3Å; L248-W293 WeakPolarHBondContact O-CH2 3.32Å; Y249-W293 VanDerWaalsContact N-CZ3 3.34Å; F250-W293 HydrophobicContact CB-CB 4.38Å; F250-W293 HydrophobicContact CB-CD2 4.03Å; F250-W293 HydrophobicContact CB-CE3 3.71Å; F250-W293 HydrophobicContact CB-CG 4.31Å; F250-W293 HydrophobicContact CB-CZ3 4.29Å; F250-W293 HydrophobicContact CD1-CB 4.24Å; F250-W293 AromaticContact CD1-CD1 3.72Å; F250-W293 AromaticContact CD1-CD2 3.47Å; F250-W293 HydrophobicContact CD1-CD2 3.47Å; F250-W293 VanDerWaalsContact CD1-CD2 3.47Å; F250-W293 AromaticContact CD1-CE2 3.66Å; F250-W293 AromaticContact CD1-CE3 3.99Å; F250-W293 HydrophobicContact CD1-CE3 3.99Å; F250-W293 AromaticContact CD1-CG 3.54Å; F250-W293 HydrophobicContact CD1-CG 3.54Å; F250-W293 HydrophobicContact CD1-CZ2 4.3Å; F250-W293 AromaticContact CD1-NE1 3.76Å; F250-W293 AromaticContact CE1-CD1 3.89Å; F250-W293 HydrophobicContact CE1-CD2 4.36Å; F250-W293 HydrophobicContact CE1-CG 4.16Å; F250-W293 AromaticContact CE1-NE1 3.93Å; F250-W293 HydrophobicContact CG-CB 4.36Å; F250-W293 HydrophobicContact CG-CD2 4.12Å; F250-W293 HydrophobicContact CG-CE3 4.3Å; F250-W293 HydrophobicContact CG-CG 4.11Å; F255-W293 AromaticContact CD2-CE3 3.9Å; F255-W293 HydrophobicContact CD2-CE3 3.9Å; F255-W293 HydrophobicContact CD2-CZ3 4.37Å; F255-W293 AromaticContact CE2-CE3 3.67Å; F255-W293 HydrophobicContact CE2-CE3 3.67Å; F255-W293 HydrophobicContact CE2-CZ3 4.01Å; I289-W293 WeakPolarHBondContact O-CB 3.34Å; I289-W293 PolarHBondContact O-N 2.94Å; T291-W293 VanDerWaalsContact C-N 3.26Å; T291-W293 PolarHBondContact O-N 3.45Å; W293-M295 VanDerWaalsContact C-N 3.25Å; W293-M295 PolarHBondContact O-N 2.86Å; W293-A296 PolarHBondContact O-N 3.36Å; W293-A296 VanDerWaalsContact O-N 3.1Å; W293-I297 HydrophobicContact CD2-CG2 4.27Å; W293-I297 HydrophobicContact CH2-CG2 4.39Å; W293-I297 HydrophobicContact CZ2-CG2 3.87Å; W293-I297 PolarHBondContact O-N 2.84Å; W293-Y777 AromaticContact CE2-CE2 3.58Å; W293-Y777 AromaticContact CZ2-CD2 3.83Å; W293-Y777 HydrophobicContact CZ2-CD2 3.83Å; W293-Y777 AromaticContact CZ2-CE2 3.4Å; W293-Y777 HydrophobicContact CZ2-CE2 3.4Å; W293-Y777 AromaticContact NE1-CE2 3.2Å; W293-Y777 AromaticContact NE1-CZ 3.16Å; W293-Y777 PolarHBondContact NE1-OH 3.32Å
294V92.3Very high93.2Very high19 Ų1922.8 Ų22.812%0.11513%0.127CC..Hα-helixtrans-61.7-35.8-177.9170.70000111.1Q61 K290 T291 S298Q61-V294 HydrophobicContact CG-CG1 4.08Å; Q61-V294 VanDerWaalsContact NE2-CG2 3.32Å; K290-V294 WeakPolarHBondContact O-CB 3.44Å; K290-V294 WeakPolarHBondContact O-CG2 3.49Å; K290-V294 PolarHBondContact O-N 3.35Å; K290-V294 VanDerWaalsContact O-N 3.16Å; T291-V294 PolarHBondContact O-N 3.34Å; V294-S298 VanDerWaalsContact O-CB 3.32Å; V294-S298 WeakPolarHBondContact O-CB 3.33Å; V294-S298 PolarHBondContact O-N 2.86Å; V294-S298 PolarHBondContact O-OG 3.16Å
295M94.3Very high92.9Very high4 Ų423.6 Ų23.62%0.0213%0.127CC..Hα-helixtrans-63.3-52.7171.7-178.653.470.400111.1W59 H204 F206 I220 T291 I292 W293 I297 S298 Q299W59-M295 HydrophobicContact CD2-CE 4.42Å; W59-M295 HydrophobicContact CG-CE 4.03Å; H204-M295 HydrophobicContact CB-CG 4.34Å; F206-M295 HydrophobicContact CE2-CB 4.45Å; F206-M295 HydrophobicContact CE2-CG 4.22Å; F206-M295 HydrophobicContact CZ-CB 4.22Å; F206-M295 HydrophobicContact CZ-CG 4.2Å; I220-M295 HydrophobicContact CB-CG 4.1Å; I220-M295 HydrophobicContact CD1-CB 3.95Å; I220-M295 HydrophobicContact CD1-CG 3.82Å; I220-M295 HydrophobicContact CG2-CG 4.11Å; T291-M295 WeakPolarHBondContact O-CB 3.45Å; T291-M295 PolarHBondContact O-N 2.98Å; I292-M295 PolarHBondContact O-N 3.19Å; W293-M295 VanDerWaalsContact C-N 3.25Å; W293-M295 PolarHBondContact O-N 2.86Å; M295-I297 PolarHBondContact O-N 3.37Å; M295-S298 PolarHBondContact O-N 3.05Å; M295-S298 PolarHBondContact O-OG 2.8Å; M295-Q299 HydrophobicContact CG-CG 4.24Å; M295-Q299 WeakPolarHBondContact O-CG 3.47Å; M295-Q299 PolarHBondContact O-N 2.94Å; M295-Q299 HydrophobicContact SD-CG 3.53Å; M295-Q299 VanDerWaalsContact SD-CG 3.53Å; M295-Q299 PolarHBondContact SD-NE2 2.98Å
296A95.8Very high92.5Very high0 Ų021.8 Ų21.80%011%0.11CC..Hα-helixtrans-57.5-49.9-177.500000113.3I220 I225 W242 L248 F255 I292 W293 S298 Q299 H300I220-A296 HydrophobicContact CD1-CB 3.99Å; I225-A296 HydrophobicContact CD1-CB 4.33Å; W242-A296 WeakPolarHBondContact CH2-O 3.39Å; L248-A296 HydrophobicContact CD1-CB 3.89Å; F255-A296 HydrophobicContact CZ-CB 4.25Å; I292-A296 WeakPolarHBondContact O-CB 3.32Å; I292-A296 PolarHBondContact O-N 3.09Å; W293-A296 PolarHBondContact O-N 3.36Å; W293-A296 VanDerWaalsContact O-N 3.1Å; A296-S298 VanDerWaalsContact C-N 3.31Å; A296-S298 PolarHBondContact O-N 2.91Å; A296-Q299 PolarHBondContact O-N 2.92Å; A296-H300 PolarHBondContact O-N 3.09Å
297I93.9Very high92.1Very high23 Ų2324.8 Ų24.812%0.11812%0.122CC..Hα-helixtrans-64-37.4179.167.7179.9000111.4L248 W293 M295 H300 Q301 Y777 Y787L248-I297 HydrophobicContact CD1-CG2 4.21Å; W293-I297 HydrophobicContact CD2-CG2 4.27Å; W293-I297 HydrophobicContact CH2-CG2 4.39Å; W293-I297 HydrophobicContact CZ2-CG2 3.87Å; W293-I297 PolarHBondContact O-N 2.84Å; M295-I297 PolarHBondContact O-N 3.37Å; I297-H300 PolarHBondContact O-N 3.37Å; I297-Q301 WeakPolarHBondContact O-CB 3.34Å; I297-Q301 PolarHBondContact O-N 2.75Å; I297-Y777 HydrophobicContact CD1-CD1 3.73Å; I297-Y777 HydrophobicContact CD1-CD2 4.43Å; I297-Y777 HydrophobicContact CD1-CE1 3.8Å; I297-Y777 HydrophobicContact CD1-CG 4.09Å; I297-Y787 HydrophobicContact CB-CD1 4.26Å; I297-Y787 HydrophobicContact CB-CD2 4.34Å; I297-Y787 HydrophobicContact CB-CE1 4.24Å; I297-Y787 HydrophobicContact CB-CE2 4.34Å; I297-Y787 HydrophobicContact CB-CG 4.28Å; I297-Y787 HydrophobicContact CG2-CD1 3.7Å; I297-Y787 HydrophobicContact CG2-CD2 4.04Å; I297-Y787 HydrophobicContact CG2-CE1 4.18Å; I297-Y787 HydrophobicContact CG2-CE2 4.5Å; I297-Y787 HydrophobicContact CG2-CG 3.59Å
298S93.4Very high91.7Very high18 Ų1829.3 Ų29.313%0.12614%0.138CC..Hα-helixtrans-71.6-37.9-18071.30000112.8R85 F86 V294 M295 A296 Q301 F302R85-S298 VanDerWaalsContact NH2-CB 3.32Å; R85-S298 PolarHBondContact NH2-OG 2.88Å; F86-S298 WeakPolarHBondContact CE1-O 3.26Å; V294-S298 VanDerWaalsContact O-CB 3.32Å; V294-S298 WeakPolarHBondContact O-CB 3.33Å; V294-S298 PolarHBondContact O-N 2.86Å; V294-S298 PolarHBondContact O-OG 3.16Å; M295-S298 PolarHBondContact O-N 3.05Å; M295-S298 PolarHBondContact O-OG 2.8Å; A296-S298 VanDerWaalsContact C-N 3.31Å; A296-S298 PolarHBondContact O-N 2.91Å; S298-Q301 PolarHBondContact O-N 3.38Å; S298-F302 WeakPolarHBondContact O-CB 3.36Å; S298-F302 PolarHBondContact O-N 3.06Å
299Q94.6Very high90.8Very high3 Ų330.2 Ų30.21%0.01415%0.146CC..Hα-helixtrans-68.3-35.9175.6-66.4-74.6-13.500111.3R85 F86 H204 I220 W242 M295 A296 Y303R85-Q299 PolarHBondContact O-NE2 3.3Å; F86-Q299 HydrophobicContact CE1-CG 4.44Å; H204-Q299 PolarHBondContact NE2-NE2 3.5Å; I220-Q299 HydrophobicContact CG2-CB 4.14Å; I220-Q299 HydrophobicContact CG2-CG 3.93Å; W242-Q299 HydrophobicContact CH2-CB 4.05Å; W242-Q299 HydrophobicContact CZ2-CB 3.58Å; M295-Q299 HydrophobicContact CG-CG 4.24Å; M295-Q299 WeakPolarHBondContact O-CG 3.47Å; M295-Q299 PolarHBondContact O-N 2.94Å; M295-Q299 HydrophobicContact SD-CG 3.53Å; M295-Q299 VanDerWaalsContact SD-CG 3.53Å; M295-Q299 PolarHBondContact SD-NE2 2.98Å; A296-Q299 PolarHBondContact O-N 2.92Å; Q299-Y303 WeakPolarHBondContact O-CB 3.44Å; Q299-Y303 PolarHBondContact O-N 3.32Å
300H94Very high89.3Confident1 Ų135.7 Ų35.71%0.00517%0.17CC..Hα-helixtrans-69.5-43.1172.9-170.661.2000112.8W242 A296 I297 F302 Y303 L304 Y787 V789W242-H300 HydrophobicContact CD2-CB 4.29Å; W242-H300 AromaticContact CD2-ND1 3.79Å; W242-H300 HydrophobicContact CE3-CB 3.71Å; W242-H300 AromaticContact CE3-CG 3.91Å; W242-H300 AromaticContact CE3-ND1 3.51Å; W242-H300 AromaticContact CG-ND1 3.89Å; W242-H300 HydrophobicContact CH2-CB 4.39Å; W242-H300 HydrophobicContact CZ3-CB 3.78Å; A296-H300 PolarHBondContact O-N 3.09Å; I297-H300 PolarHBondContact O-N 3.37Å; H300-F302 VanDerWaalsContact C-N 3.33Å; H300-F302 PolarHBondContact O-N 2.8Å; H300-Y303 AromaticContact CE1-CD1 3.7Å; H300-Y303 AromaticContact ND1-CD1 3.7Å; H300-Y303 CarbonylContact O-C 3.56Å; H300-Y303 WeakPolarHBondContact O-CA 3.34Å; H300-Y303 WeakPolarHBondContact O-CB 3.35Å; H300-Y303 PolarHBondContact O-N 3.32Å; H300-Y303 VanDerWaalsContact O-N 3.11Å; H300-L304 WeakPolarHBondContact O-CG 3.39Å; H300-L304 PolarHBondContact O-N 2.83Å; H300-Y787 HydrophobicContact CB-CE1 4.07Å; H300-Y787 AromaticContact CD2-CE1 3.66Å; H300-Y787 AromaticContact CD2-CZ 3.98Å; H300-Y787 PolarHBondContact CD2-OH 3.05Å; H300-V789 WeakPolarHBondContact CE1-CG1 3.41Å; H300-V789 WeakPolarHBondContact NE2-CG1 3.27Å; H300-V789 PolarHBondContact NE2-O 3.2Å
301Q91.9Very high87.7Confident35 Ų3539 Ų3916%0.16420%0.202CC..Hα-helixtrans-59.1-46.1175.4-176.260.355.400110.8I297 S298 Y303 L304 D305 N774I297-Q301 WeakPolarHBondContact O-CB 3.34Å; I297-Q301 PolarHBondContact O-N 2.75Å; S298-Q301 PolarHBondContact O-N 3.38Å; Q301-Y303 VanDerWaalsContact C-N 3.32Å; Q301-Y303 PolarHBondContact O-N 3.47Å; Q301-L304 WeakPolarHBondContact O-CB 3.5Å; Q301-L304 PolarHBondContact O-N 3.41Å; Q301-L304 VanDerWaalsContact O-N 3.08Å; Q301-D305 PolarHBondContact NE2-OD1 3.33Å; Q301-D305 PolarHBondContact O-N 2.98Å; Q301-N774 PolarHBondContact OE1-ND2 3.29Å
302F92.4Very high86.2Confident18 Ų1847 Ų478%0.07924%0.235CC..Hα-helixtrans-59.9-38.7173.8179.1-94.8000112.7E44 F45 F86 L88 S298 H300 D305 R306E44-F302 HydrophobicContact CG-CE2 4.35Å; F45-F302 AromaticContact CD1-CE2 3.89Å; F45-F302 HydrophobicContact CD1-CE2 3.89Å; F45-F302 AromaticContact CD1-CZ 3.75Å; F45-F302 HydrophobicContact CD1-CZ 3.75Å; F45-F302 HydrophobicContact CE1-CE2 4.11Å; F45-F302 AromaticContact CE1-CZ 3.83Å; F45-F302 HydrophobicContact CE1-CZ 3.83Å; F86-F302 HydrophobicContact CB-CD1 3.87Å; F86-F302 HydrophobicContact CB-CD2 3.81Å; F86-F302 HydrophobicContact CB-CE1 3.73Å; F86-F302 HydrophobicContact CB-CE2 3.66Å; F86-F302 HydrophobicContact CB-CG 3.91Å; F86-F302 HydrophobicContact CB-CZ 3.62Å; F86-F302 HydrophobicContact CD1-CB 3.63Å; F86-F302 HydrophobicContact CD1-CD1 4.02Å; F86-F302 HydrophobicContact CD1-CD2 4.05Å; F86-F302 AromaticContact CD1-CG 3.64Å; F86-F302 HydrophobicContact CD1-CG 3.64Å; F86-F302 HydrophobicContact CD2-CD2 4.14Å; F86-F302 HydrophobicContact CD2-CE2 4.49Å; F86-F302 HydrophobicContact CE1-CB 3.81Å; F86-F302 HydrophobicContact CE1-CG 4.29Å; F86-F302 HydrophobicContact CG-CB 4.22Å; F86-F302 HydrophobicContact CG-CD1 4.19Å; F86-F302 AromaticContact CG-CD2 3.74Å; F86-F302 HydrophobicContact CG-CD2 3.74Å; F86-F302 HydrophobicContact CG-CE2 4.09Å; F86-F302 AromaticContact CG-CG 3.79Å; F86-F302 HydrophobicContact CG-CG 3.79Å; F86-F302 HydrophobicContact CG-CZ 4.45Å; F86-F302 HydrophobicContact CZ-CB 4.49Å; L88-F302 HydrophobicContact CD2-CE1 4.01Å; L88-F302 HydrophobicContact CD2-CZ 3.8Å; S298-F302 WeakPolarHBondContact O-CB 3.36Å; S298-F302 PolarHBondContact O-N 3.06Å; H300-F302 VanDerWaalsContact C-N 3.33Å; H300-F302 PolarHBondContact O-N 2.8Å; F302-D305 PolarHBondContact O-N 2.75Å; F302-R306 HydrophobicContact CD1-CG 4.18Å; F302-R306 HydrophobicContact CE1-CG 3.81Å; F302-R306 HydrophobicContact CE2-CG 4.22Å; F302-R306 HydrophobicContact CZ-CG 3.83Å; F302-R306 VanDerWaalsContact O-CB 3.31Å; F302-R306 WeakPolarHBondContact O-CB 3.46Å; F302-R306 VanDerWaalsContact O-CG 3.28Å; F302-R306 WeakPolarHBondContact O-CG 3.41Å; F302-R306 PolarHBondContact O-N 2.94Å
303Y92.1Very high84.6Confident68 Ų6849.8 Ų49.827%0.26725%0.25SC..Hα-helixtrans-62.4-41.1172.1166.1-95.4000112.5W242 Q299 H300 Q301 K307W242-Y303 HydrophobicContact CB-CD1 3.7Å; W242-Y303 HydrophobicContact CB-CD2 4.33Å; W242-Y303 HydrophobicContact CB-CE1 3.77Å; W242-Y303 HydrophobicContact CB-CE2 4.39Å; W242-Y303 HydrophobicContact CB-CG 4.01Å; W242-Y303 AromaticContact CD1-CD2 3.89Å; W242-Y303 AromaticContact CD1-CG 3.82Å; W242-Y303 HydrophobicContact CG-CD1 4.15Å; W242-Y303 HydrophobicContact CG-CD2 4.39Å; W242-Y303 HydrophobicContact CG-CG 4.03Å; Q299-Y303 WeakPolarHBondContact O-CB 3.44Å; Q299-Y303 PolarHBondContact O-N 3.32Å; H300-Y303 AromaticContact CE1-CD1 3.7Å; H300-Y303 AromaticContact ND1-CD1 3.7Å; H300-Y303 CarbonylContact O-C 3.56Å; H300-Y303 WeakPolarHBondContact O-CA 3.34Å; H300-Y303 WeakPolarHBondContact O-CB 3.35Å; H300-Y303 PolarHBondContact O-N 3.32Å; H300-Y303 VanDerWaalsContact O-N 3.11Å; Q301-Y303 VanDerWaalsContact C-N 3.32Å; Q301-Y303 PolarHBondContact O-N 3.47Å; Y303-K307 HydrophobicContact CE1-CD 4.36Å; Y303-K307 VanDerWaalsContact O-CB 3.25Å; Y303-K307 WeakPolarHBondContact O-CB 3.41Å; Y303-K307 PolarHBondContact O-N 3.15Å
304L90.8Very high83.1Confident26 Ų2652.5 Ų52.514%0.13628%0.277CS..Hα-helixtrans-65-45174.6-67.8179.5000111.6H300 Q301 R306 K307 Q308H300-L304 WeakPolarHBondContact O-CG 3.39Å; H300-L304 PolarHBondContact O-N 2.83Å; Q301-L304 WeakPolarHBondContact O-CB 3.5Å; Q301-L304 PolarHBondContact O-N 3.41Å; Q301-L304 VanDerWaalsContact O-N 3.08Å; L304-R306 VanDerWaalsContact C-N 3.35Å; L304-R306 PolarHBondContact O-N 3.41Å; L304-K307 WeakPolarHBondContact O-CB 3.42Å; L304-K307 PolarHBondContact O-N 2.8Å; L304-K307 VanDerWaalsContact O-N 3.13Å; L304-Q308 WeakPolarHBondContact O-CG 3.14Å; L304-Q308 PolarHBondContact O-N 2.83Å
305D88.6Confident82Confident42 Ų4258 Ų5823%0.22531%0.313CS..Hα-helixtrans-64-41179.5-63-17.9000111Q301 F302 Q308 S309Q301-D305 PolarHBondContact NE2-OD1 3.33Å; Q301-D305 PolarHBondContact O-N 2.98Å; F302-D305 PolarHBondContact O-N 2.75Å; D305-Q308 PolarHBondContact O-N 2.69Å; D305-S309 VanDerWaalsContact O-CB 3.3Å; D305-S309 WeakPolarHBondContact O-CB 3.18Å; D305-S309 PolarHBondContact O-N 2.91Å; D305-S309 PolarHBondContact O-OG 3.25Å
306R85.6Confident80.9Confident31 Ų3161 Ų6112%0.11734%0.339CS..Hα-helixtrans-66.6-35.7172-72.7-78.3149.5168.6-11.7112.4E44 F45 F302 L304 S309 K310E44-R306 IonicContact OE1-CZ 2.71Å; E44-R306 IonicContact OE1-NH2 2.68Å; E44-R306 PolarHBondContact OE1-NH2 3.26Å; F45-R306 VanDerWaalsContact CE1-CZ 3.44Å; F45-R306 VanDerWaalsContact CE1-NH2 3.27Å; F302-R306 HydrophobicContact CD1-CG 4.18Å; F302-R306 HydrophobicContact CE1-CG 3.81Å; F302-R306 HydrophobicContact CE2-CG 4.22Å; F302-R306 HydrophobicContact CZ-CG 3.83Å; F302-R306 VanDerWaalsContact O-CB 3.31Å; F302-R306 WeakPolarHBondContact O-CB 3.46Å; F302-R306 VanDerWaalsContact O-CG 3.28Å; F302-R306 WeakPolarHBondContact O-CG 3.41Å; F302-R306 PolarHBondContact O-N 2.94Å; L304-R306 VanDerWaalsContact C-N 3.35Å; L304-R306 PolarHBondContact O-N 3.41Å; R306-S309 WeakPolarHBondContact CA-OG 3.5Å; R306-S309 PolarHBondContact O-OG 3.33Å; R306-K310 WeakPolarHBondContact O-CB 3.3Å; R306-K310 VanDerWaalsContact O-CG 3.31Å; R306-K310 WeakPolarHBondContact O-CG 3.42Å; R306-K310 PolarHBondContact O-N 3.45Å
307K84.4Confident80.3Confident127 Ų12762.6 Ų62.655%0.55235%0.345SS*.Hα-helixtrans-67.5-38.6174.9-176.4-178.6176.4-173.80112.5Y303 L304Y303-K307 HydrophobicContact CE1-CD 4.36Å; Y303-K307 VanDerWaalsContact O-CB 3.25Å; Y303-K307 WeakPolarHBondContact O-CB 3.41Å; Y303-K307 PolarHBondContact O-N 3.15Å; L304-K307 WeakPolarHBondContact O-CB 3.42Å; L304-K307 PolarHBondContact O-N 2.8Å; L304-K307 VanDerWaalsContact O-N 3.13Å
308Q80.8Confident80.2Confident138 Ų13864.8 Ų64.865%0.64536%0.36SS*.Hα-helixtrans-73.3-45.3175.8-68.3-177.153.900111.8L304 D305 K310L304-Q308 WeakPolarHBondContact O-CG 3.14Å; L304-Q308 PolarHBondContact O-N 2.83Å; D305-Q308 PolarHBondContact O-N 2.69Å; Q308-K310 VanDerWaalsContact C-N 3.32Å; Q308-K310 PolarHBondContact O-N 3.11Å
309S73.9Confident80.2Confident36 Ų3667.5 Ų67.525%0.25237%0.372SS..Hα-helixtrans-70.4-22.2-17955.80000114D305 R306 A311 K312 L313D305-S309 VanDerWaalsContact O-CB 3.3Å; D305-S309 WeakPolarHBondContact O-CB 3.18Å; D305-S309 PolarHBondContact O-N 2.91Å; D305-S309 PolarHBondContact O-OG 3.25Å; R306-S309 WeakPolarHBondContact CA-OG 3.5Å; R306-S309 PolarHBondContact O-OG 3.33Å; S309-A311 PolarHBondContact O-N 2.89Å; S309-K312 CarbonylContact O-C 3.53Å; S309-K312 WeakPolarHBondContact O-CA 3.03Å; S309-K312 PolarHBondContact O-N 3.19Å; S309-L313 PolarHBondContact O-N 3.15Å
310K63.7Low80.1Confident115 Ų11572.6 Ų72.650%0.540%0.396SS..G310 helixtrans-53.6-25.4174.6-93.6-178.7-179.4-170.90114.2R306 Q308 K312 L313R306-K310 WeakPolarHBondContact O-CB 3.3Å; R306-K310 VanDerWaalsContact O-CG 3.31Å; R306-K310 WeakPolarHBondContact O-CG 3.42Å; R306-K310 PolarHBondContact O-N 3.45Å; Q308-K310 VanDerWaalsContact C-N 3.32Å; Q308-K310 PolarHBondContact O-N 3.11Å; K310-K312 VanDerWaalsContact C-N 3.31Å; K310-L313 HydrophobicContact CG-CD1 4.27Å
311A57.6Low80Confident96 Ų9676.3 Ų76.379%0.79341%0.414SS*.G310 helixtrans-80.3-6173.900000114.6S309S309-A311 PolarHBondContact O-N 2.89Å
312K60.3Low80.1Confident186 Ų18674.7 Ų74.781%0.80941%0.406SS*.G310 helixtrans-121.67.4-179.2-60.2-177.4179.7179.40113S309 K310S309-K312 CarbonylContact O-C 3.53Å; S309-K312 WeakPolarHBondContact O-CA 3.03Å; S309-K312 PolarHBondContact O-N 3.19Å; K310-K312 VanDerWaalsContact C-N 3.31Å
313L61.6Low80.2Confident60 Ų6073.9 Ų73.931%0.31440%0.403SS..  trans-83.4137.2174.3-63.1-179.2000109.8S309 K310S309-L313 PolarHBondContact O-N 3.15Å; K310-L313 HydrophobicContact CG-CD1 4.27Å
314G64.3Low80.3Confident56 Ų5676.2 Ų76.258%0.57742%0.417SS*.  trans-68.8-176164.300000111.7A316G314-A316 PolarHBondContact O-N 2.83Å
315P67.8Low80.3Confident134 Ų13477.6 Ų77.687%0.8742%0.423SS*.PPolyproline II helixtrans-54.6139.3173.125.2-34.2000110.6
316A71.8Confident80.5Confident68 Ų6875.6 Ų75.656%0.56241%0.413SS*.PPolyproline II helixtrans-68.4137.8174.600000109.6G314G314-A316 PolarHBondContact O-N 2.83Å
317R82.9Confident80.8Confident33 Ų3376.8 Ų76.813%0.12542%0.423CS..PPolyproline II helixtrans-60.3142.2176.7-69.7-170.4-69.3176.9-1.8109.9T92 L94 K95 D96 E321 I322 E325T92-R317 VanDerWaalsContact CB-O 3.3Å; T92-R317 WeakPolarHBondContact CB-O 3.48Å; T92-R317 VanDerWaalsContact CG2-O 3.26Å; T92-R317 WeakPolarHBondContact CG2-O 3.21Å; L94-R317 VanDerWaalsContact C-NH2 3.34Å; L94-R317 PolarHBondContact O-NE 3.03Å; L94-R317 PolarHBondContact O-NH2 2.71Å; K95-R317 VanDerWaalsContact C-NH2 3.26Å; K95-R317 PolarHBondContact O-NH1 3.05Å; K95-R317 PolarHBondContact O-NH2 2.89Å; D96-R317 PolarHBondContact O-NH2 3.09Å; R317-E321 VanDerWaalsContact CA-OE2 3.31Å; R317-E321 WeakPolarHBondContact CA-OE2 3.27Å; R317-I322 HydrophobicContact CB-CD1 3.98Å; R317-I322 HydrophobicContact CB-CG1 3.82Å; R317-E325 IonicContact CZ-OE2 2.68Å; R317-E325 IonicContact NH1-OE2 3.66Å; R317-E325 PolarHBondContact NH1-OE2 3.24Å
318T91.6Very high81Confident70 Ų7077.8 Ų77.843%0.42943%0.43SS..PPolyproline II helixtrans-71.8158169.869.10000110.7E320 E321 I322T318-E320 PolarHBondContact O-N 2.8Å; T318-E321 WeakPolarHBondContact CB-OE1 3.33Å; T318-E321 WeakPolarHBondContact CG2-OE1 3.45Å; T318-E321 PolarHBondContact N-OE2 2.88Å; T318-E321 PolarHBondContact O-N 3.49Å; T318-E321 WeakPolarHBondContact OG1-CG 3.26Å; T318-E321 PolarHBondContact OG1-N 3.33Å; T318-E321 PolarHBondContact OG1-OE1 3.22Å; T318-I322 WeakPolarHBondContact O-CG1 3.45Å; T318-I322 PolarHBondContact O-N 3.41Å
319L93.1Very high81Confident74 Ų7476.1 Ų76.139%0.38742%0.422SS..Hα-helixtrans-62.8-30.9177.1-68.1175.2000112I91 T92 V189 T193 A323I91-L319 HydrophobicContact CD1-CD2 3.98Å; I91-L319 HydrophobicContact CG1-CD2 3.95Å; T92-L319 HydrophobicContact CG2-CD2 3.53Å; T92-L319 HydrophobicContact CG2-CG 3.94Å; V189-L319 HydrophobicContact CG1-CB 4Å; V189-L319 HydrophobicContact CG1-CD2 3.97Å; V189-L319 HydrophobicContact CG1-CG 4.43Å; T193-L319 HydrophobicContact CG2-CD1 4.1Å; T193-L319 HydrophobicContact CG2-CD2 4.06Å; L319-A323 WeakPolarHBondContact O-CB 3.37Å; L319-A323 PolarHBondContact O-N 3.42Å
320E92.8Very high80.5Confident111 Ų11175.9 Ų75.952%0.51943%0.425SS..Hα-helixtrans-77.5-36178.3-162.362.1-156.300112.2Q186 T318 A323 M324Q186-E320 PolarHBondContact NE2-OE1 3.33Å; T318-E320 PolarHBondContact O-N 2.8Å; E320-A323 PolarHBondContact O-N 2.87Å; E320-M324 VanDerWaalsContact O-CB 3.28Å; E320-M324 WeakPolarHBondContact O-CB 3.38Å; E320-M324 PolarHBondContact O-N 3.27Å
321E92.9Very high79.8Confident79 Ų7973.5 Ų73.537%0.36943%0.433SS..Hα-helixtrans-56.6-50.3168.8-78.2144.9-132.200111R317 T318 A323 M324 E325R317-E321 VanDerWaalsContact CA-OE2 3.31Å; R317-E321 WeakPolarHBondContact CA-OE2 3.27Å; T318-E321 WeakPolarHBondContact CB-OE1 3.33Å; T318-E321 WeakPolarHBondContact CG2-OE1 3.45Å; T318-E321 PolarHBondContact N-OE2 2.88Å; T318-E321 PolarHBondContact O-N 3.49Å; T318-E321 WeakPolarHBondContact OG1-CG 3.26Å; T318-E321 PolarHBondContact OG1-N 3.33Å; T318-E321 PolarHBondContact OG1-OE1 3.22Å; E321-A323 VanDerWaalsContact C-N 3.32Å; E321-A323 PolarHBondContact O-N 2.9Å; E321-M324 PolarHBondContact O-N 3.23Å; E321-E325 WeakPolarHBondContact O-CB 3.35Å; E321-E325 WeakPolarHBondContact O-CG 3.43Å; E321-E325 PolarHBondContact O-N 3.08Å
322I92.9Very high79.2Confident0 Ų072.5 Ų72.50%043%0.425CS..Hα-helixtrans-59.9-43.7178-66.4171.3000110.7T92 V100 V189 R317 T318 I326T92-I322 HydrophobicContact CG2-CD1 4.42Å; V100-I322 HydrophobicContact CG1-CG2 4.01Å; V100-I322 HydrophobicContact CG2-CG2 4.21Å; V189-I322 HydrophobicContact CG2-CB 4.35Å; V189-I322 HydrophobicContact CG2-CG2 3.78Å; R317-I322 HydrophobicContact CB-CD1 3.98Å; R317-I322 HydrophobicContact CB-CG1 3.82Å; T318-I322 WeakPolarHBondContact O-CG1 3.45Å; T318-I322 PolarHBondContact O-N 3.41Å; I322-I326 HydrophobicContact CG2-CD1 3.6Å; I322-I326 HydrophobicContact CG2-CG1 4.44Å; I322-I326 WeakPolarHBondContact O-CB 3.49Å; I322-I326 WeakPolarHBondContact O-CD1 3.39Å; I322-I326 WeakPolarHBondContact O-CG1 3.4Å; I322-I326 PolarHBondContact O-N 3.45Å
323A94.2Very high78.6Confident1 Ų168.9 Ų68.91%0.00841%0.409CS..Hα-helixtrans-66.4-38.9178.800000113.1G185 Q186 V189 L319 E320 E321 T327G185-A323 WeakPolarHBondContact CA-O 3.39Å; Q186-A323 HydrophobicContact CB-CB 4.35Å; Q186-A323 HydrophobicContact CG-CB 3.72Å; V189-A323 HydrophobicContact CB-CB 4.49Å; V189-A323 HydrophobicContact CG2-CB 4.09Å; L319-A323 WeakPolarHBondContact O-CB 3.37Å; L319-A323 PolarHBondContact O-N 3.42Å; E320-A323 PolarHBondContact O-N 2.87Å; E321-A323 VanDerWaalsContact C-N 3.32Å; E321-A323 PolarHBondContact O-N 2.9Å; A323-T327 WeakPolarHBondContact O-CB 3.43Å; A323-T327 PolarHBondContact O-N 2.86Å; A323-T327 VanDerWaalsContact O-N 3.17Å; A323-T327 PolarHBondContact O-OG1 3.42Å
324M93.9Very high77.9Confident117 Ų11768.6 Ų68.658%0.57641%0.407SS*.Hα-helixtrans-67-50.4175.7-177.4173.764.800110.7E320 E321 I326 T327 E328E320-M324 VanDerWaalsContact O-CB 3.28Å; E320-M324 WeakPolarHBondContact O-CB 3.38Å; E320-M324 PolarHBondContact O-N 3.27Å; E321-M324 PolarHBondContact O-N 3.23Å; M324-I326 PolarHBondContact O-N 3.44Å; M324-T327 WeakPolarHBondContact O-CB 3.4Å; M324-T327 PolarHBondContact O-N 3.25Å; M324-E328 PolarHBondContact O-N 2.99Å
325E91.8Very high76.9Confident55 Ų5573 Ų7326%0.25742%0.417SS..Hα-helixtrans-56.9-48.2178.6-78177.5-171.300112.1I97 R317 E321 T327 E328 H329I97-E325 HydrophobicContact CD1-CB 3.78Å; I97-E325 HydrophobicContact CD1-CG 4.3Å; I97-E325 HydrophobicContact CG1-CB 4.11Å; R317-E325 IonicContact CZ-OE2 2.68Å; R317-E325 IonicContact NH1-OE2 3.66Å; R317-E325 PolarHBondContact NH1-OE2 3.24Å; E321-E325 WeakPolarHBondContact O-CB 3.35Å; E321-E325 WeakPolarHBondContact O-CG 3.43Å; E321-E325 PolarHBondContact O-N 3.08Å; E325-T327 VanDerWaalsContact C-N 3.26Å; E325-T327 PolarHBondContact O-N 2.95Å; E325-E328 PolarHBondContact O-N 3.16Å; E325-H329 WeakPolarHBondContact O-CB 3.43Å; E325-H329 PolarHBondContact O-N 3.37Å; E325-H329 PolarHBondContact O-ND1 2.92Å
326I92Very high75.6Confident1 Ų174.1 Ų74.11%0.00540%0.404CS..Hα-helixtrans-63.2-32.8176.8-68166.1000111.8I97 V100 I188 I322 M324 G330I97-I326 HydrophobicContact CG2-CG1 3.77Å; V100-I326 HydrophobicContact CB-CD1 4.08Å; V100-I326 HydrophobicContact CG1-CD1 3.67Å; I188-I326 HydrophobicContact CD1-CG2 3.62Å; I188-I326 HydrophobicContact CG2-CD1 4Å; I322-I326 HydrophobicContact CG2-CD1 3.6Å; I322-I326 HydrophobicContact CG2-CG1 4.44Å; I322-I326 WeakPolarHBondContact O-CB 3.49Å; I322-I326 WeakPolarHBondContact O-CD1 3.39Å; I322-I326 WeakPolarHBondContact O-CG1 3.4Å; I322-I326 PolarHBondContact O-N 3.45Å; M324-I326 PolarHBondContact O-N 3.44Å; I326-G330 WeakPolarHBondContact O-CA 3.28Å; I326-G330 PolarHBondContact O-N 3.21Å
327T92.1Very high74.2Confident55 Ų5576.1 Ų76.134%0.33741%0.405SS..Hα-helixtrans-72.3-44178.2-58.70000111.3S183 G185 A323 M324 E325S183-T327 WeakPolarHBondContact CB-OG1 3.27Å; S183-T327 PolarHBondContact OG-OG1 3.13Å; G185-T327 WeakPolarHBondContact CA-OG1 3.39Å; G185-T327 PolarHBondContact N-OG1 3.38Å; A323-T327 WeakPolarHBondContact O-CB 3.43Å; A323-T327 PolarHBondContact O-N 2.86Å; A323-T327 VanDerWaalsContact O-N 3.17Å; A323-T327 PolarHBondContact O-OG1 3.42Å; M324-T327 WeakPolarHBondContact O-CB 3.4Å; M324-T327 PolarHBondContact O-N 3.25Å; E325-T327 VanDerWaalsContact C-N 3.26Å; E325-T327 PolarHBondContact O-N 2.95Å
328E88.9Confident72.3Confident148 Ų14877.4 Ų77.469%0.69243%0.428SS*.Hα-helixtrans-64.9-48.6177.2-174.7173.8-160.500111.5M324 E325 G330M324-E328 PolarHBondContact O-N 2.99Å; E325-E328 PolarHBondContact O-N 3.16Å; E328-G330 VanDerWaalsContact C-N 3.33Å; E328-G330 PolarHBondContact O-N 3.22Å
329H81.3Confident69.5Low104 Ų10481 Ų8148%0.48145%0.445SS..Hα-helixtrans-71.3-28180-6969.1000112.5I97 E325 G331 A332I97-H329 WeakPolarHBondContact CD1-CE1 3.38Å; I97-H329 WeakPolarHBondContact CD1-ND1 3.48Å; I97-H329 HydrophobicContact CG2-CB 4.45Å; E325-H329 WeakPolarHBondContact O-CB 3.43Å; E325-H329 PolarHBondContact O-N 3.37Å; E325-H329 PolarHBondContact O-ND1 2.92Å; H329-G331 PolarHBondContact O-N 3.23Å; H329-G331 VanDerWaalsContact O-N 3.12Å; H329-A332 WeakPolarHBondContact O-CB 3.33Å; H329-A332 PolarHBondContact O-N 2.88Å
330G62.5Low67Low30 Ų3083.7 Ų83.731%0.30946%0.464SS..Hα-helixtrans-57.9-26.1179.800000114.6I326 E328 A332I326-G330 WeakPolarHBondContact O-CA 3.28Å; I326-G330 PolarHBondContact O-N 3.21Å; E328-G330 VanDerWaalsContact C-N 3.33Å; E328-G330 PolarHBondContact O-N 3.22Å; G330-A332 PolarHBondContact O-N 2.84Å
331G50.8Low64.2Low66 Ų6682 Ų8268%0.6848%0.477SS*.THydrogen-bonded Turntrans-62.9-20.1173.200000114.3H329H329-G331 PolarHBondContact O-N 3.23Å; H329-G331 VanDerWaalsContact O-N 3.12Å
332A43.1Very low61.9Low74 Ų7485 Ų8561%0.61249%0.494SS*.THydrogen-bonded Turntrans-88.82.9-173.200000115.4H329 G330H329-A332 WeakPolarHBondContact O-CB 3.33Å; H329-A332 PolarHBondContact O-N 2.88Å; G330-A332 PolarHBondContact O-N 2.84Å
333K48.8Very low59.2Low111 Ų11193.8 Ų93.848%0.48353%0.533SS..  trans61.2105.2174.4-58.4-171.2-173.3-176.30116.9N335 R336K333-N335 HydrophobicContact CB-CB 4.43Å; K333-N335 PolarHBondContact O-N 3.39Å; K333-R336 HydrophobicContact CB-CB 3.98Å; K333-R336 HydrophobicContact CD-CB 4.05Å; K333-R336 HydrophobicContact CD-CG 4.11Å; K333-R336 PolarHBondContact O-N 3.5Å
334M46.3Very low56.5Low54 Ų54101.6 Ų101.627%0.26657%0.574SS.*G310 helixtrans-54.1-32.4151-178136.647.800111.5E101 L105 R336E101-M334 HydrophobicContact CB-CE 4.41Å; L105-M334 HydrophobicContact CD1-CE 3.96Å; L105-M334 HydrophobicContact CD1-SD 4.41Å; M334-R336 PolarHBondContact O-N 3.42Å
335N43.2Very low53.7Low149 Ų149102 Ų10280%0.79758%0.579SS**G310 helixtrans-70.28176.2-63.70.3000115.9K333K333-N335 HydrophobicContact CB-CB 4.43Å; K333-N335 PolarHBondContact O-N 3.39Å
336R40.5Very low51.1Low156 Ų156102.7 Ų102.759%0.58959%0.589SS**G310 helixtrans-106.9-3.5175.9-130.6-171-62.4-1286.6115.1K333 M334 G338K333-R336 HydrophobicContact CB-CB 3.98Å; K333-R336 HydrophobicContact CD-CB 4.05Å; K333-R336 HydrophobicContact CD-CG 4.11Å; K333-R336 PolarHBondContact O-N 3.5Å; M334-R336 PolarHBondContact O-N 3.42Å; R336-G338 PolarHBondContact O-N 3.42Å
337L43.4Very low49Very low111 Ų111105.9 Ų105.958%0.58161%0.605SS**THydrogen-bonded Turntrans-79.44.8174.8-78.7165.5000114.2R15R15-L337 PolarHBondContact NH1-O 3.12Å
338G41.6Very low46.6Very low60 Ų60106.6 Ų106.662%0.61961%0.609SS**THydrogen-bonded Turntrans-114-5.3-177.200000116.3R336R336-G338 PolarHBondContact O-N 3.42Å
339D33.2Very low44.4Very low145 Ų145100.1 Ų100.178%0.77558%0.582SS**  trans-112.741.6-172.1-161.427.4000112.9
340V40.2Very low42.3Very low130 Ų13098.4 Ų98.479%0.78858%0.581SS**SBendtrans-118.3114.2155.6178.50000105.3L342V340-L342 PolarHBondContact O-N 3.46Å
341G35.4Very low41.2Very low76 Ų76101 Ų10178%0.78459%0.588SS**  trans-64.785.1-155.900000116.6K343G341-K343 VanDerWaalsContact C-N 3.25Å; G341-K343 PolarHBondContact O-N 3.48Å
342L42.9Very low40.8Very low142 Ų142100.6 Ų100.674%0.74358%0.583SS**  trans-74.572.1169-74.4171.5000111.6V340 N344V340-L342 PolarHBondContact O-N 3.46Å; L342-N344 PolarHBondContact O-N 3.06Å
343K37.3Very low40.5Very low184 Ų184103 Ų10380%0.860%0.595SS**  trans-70.5105.6162.7-80.2-173.1175-178.70109.7G341 N345G341-K343 VanDerWaalsContact C-N 3.25Å; G341-K343 PolarHBondContact O-N 3.48Å; K343-N345 VanDerWaalsContact C-N 3.27Å; K343-N345 PolarHBondContact O-N 3.08Å
344N37.1Very low40Very low165 Ų165105 Ų10588%0.88261%0.611SS**SBendtrans5229158.5-5912.9000117.4L342 C346L342-N344 PolarHBondContact O-N 3.06Å; N344-C346 PolarHBondContact O-N 3.45Å
345N35.7Very low39.4Very low125 Ų125105.4 Ų105.467%0.66863%0.629SS**  trans-80.2100.9169.9-82.8-1.9000110K343 I347K343-N345 VanDerWaalsContact C-N 3.27Å; K343-N345 PolarHBondContact O-N 3.08Å; N345-I347 PolarHBondContact O-N 3.28Å
346C36.8Very low38.8Very low70 Ų70103.5 Ų103.547%0.47363%0.627SS.*  trans-63.4106171.5-173.70000109.8N344 T348N344-C346 PolarHBondContact O-N 3.45Å; C346-T348 PolarHBondContact O-N 3.47Å
347I48.5Very low38.7Very low69 Ų69103.3 Ų103.335%0.35464%0.643SS.*EExtended strand (participates in β ladder)trans-69.5103.3-178.9-58.1177000108L17 L19 L20 N345 A349L17-I347 HydrophobicContact CD1-CD1 4.17Å; L19-I347 HydrophobicContact CD2-CB 3.75Å; L19-I347 HydrophobicContact CD2-CD1 4.17Å; L19-I347 HydrophobicContact CD2-CG1 4.46Å; L19-I347 HydrophobicContact CD2-CG2 4.02Å; L20-I347 PolarHBondContact N-O 3.49Å; N345-I347 PolarHBondContact O-N 3.28Å; I347-A349 PolarHBondContact O-N 3.44Å
348T40.8Very low38.2Very low69 Ų69100.2 Ų100.242%0.42364%0.639SS.*EExtended strand (participates in β ladder)trans-79.5105.8174.2-62.70000108.6L20 C346 S350L20-T348 HydrophobicContact CD2-CG2 4.38Å; C346-T348 PolarHBondContact O-N 3.47Å; T348-S350 PolarHBondContact O-N 2.92Å
349A42.7Very low38.2Very low13 Ų13103 Ų10311%0.10765%0.649CS.*EExtended strand (participates in β ladder)trans-75.973.8176.200000109.9L20 Q22 L25 L33 I347L20-A349 PolarHBondContact O-N 2.83Å; Q22-A349 WeakPolarHBondContact CG-O 3.13Å; L25-A349 HydrophobicContact CD1-CB 4.24Å; L25-A349 HydrophobicContact CD2-CB 3.94Å; L33-A349 HydrophobicContact CD2-CB 4.29Å; I347-A349 PolarHBondContact O-N 3.44Å
350S37.4Very low38.1Very low67 Ų67100.4 Ų100.447%0.46965%0.647SS.*  trans-86.5138.9176.954.30000112.1T348 G352T348-S350 PolarHBondContact O-N 2.92Å; S350-G352 VanDerWaalsContact C-N 3.32Å; S350-G352 PolarHBondContact O-N 2.91Å
351N39Very low37.9Very low86 Ų86102.2 Ų102.246%0.4665%0.653SS.*SBendtrans-63.486.7172.2-60.182.8000111.1
352G42Very low38.1Very low56 Ų56103.5 Ų103.558%0.57765%0.649SS**SBendtrans-180111.3178.300000113.8S350S350-G352 VanDerWaalsContact C-N 3.32Å; S350-G352 PolarHBondContact O-N 2.91Å
353S38.5Very low38.3Very low124 Ų124104.8 Ų104.887%0.86765%0.652SS**  trans57.151.3162.9-166.70000117.8G355S353-G355 PolarHBondContact O-N 3.37Å
354L37.8Very low38.4Very low155 Ų15599.2 Ų99.281%0.81263%0.629SS**  trans-74.3102.6148.3-70.8-179.4000108.1S356L354-S356 PolarHBondContact O-N 3.03Å
355G32.8Very low39.3Very low62 Ų6294.5 Ų94.564%0.63961%0.609SS**  trans-64.7126.7175.500000110.4S353 T357S353-G355 PolarHBondContact O-N 3.37Å; G355-T357 PolarHBondContact O-N 3.18Å
356S31.8Very low40.6Very low109 Ų10996.4 Ų96.476%0.76261%0.614SS**  trans-64.3103.3-179.1-177.70000111.1L354 G358L354-S356 PolarHBondContact O-N 3.03Å; S356-G358 PolarHBondContact O-N 3.5Å; S356-G358 WeakPolarHBondContact OG-CA 3.35Å; S356-G358 PolarHBondContact OG-N 3.07Å
357T37.9Very low42.2Very low151 Ų151100 Ų10093%0.92662%0.624SS**  trans-77.646159.552.70000110.4G355G355-T357 PolarHBondContact O-N 3.18Å
358G31.8Very low43.3Very low47 Ų47101.6 Ų101.649%0.48563%0.63SS.*SBendtrans-115.190.3-178.600000111S356 A360S356-G358 PolarHBondContact O-N 3.5Å; S356-G358 WeakPolarHBondContact OG-CA 3.35Å; S356-G358 PolarHBondContact OG-N 3.07Å; G358-A360 PolarHBondContact O-N 2.95Å
359S42.4Very low44.8Very low119 Ų119103 Ų10383%0.83263%0.63SS**  trans35.380152.4-172.40000117.4
360A31.8Very low46.7Very low90 Ų90109.6 Ų109.674%0.74466%0.656SS**  trans-120.1108.1153.500000108.9G358 S362G358-A360 PolarHBondContact O-N 2.95Å; A360-S362 PolarHBondContact O-N 3.37Å
361D34.8Very low49Very low168 Ų168112.7 Ų112.790%0.89866%0.663SS**  trans-71.167161.6-83.1-52.1000108.9
362S40Very low51.2Low102 Ų102114.3 Ų114.371%0.71367%0.666SS**  trans-67.6142.6167.3-170.70000108.5A360 M364A360-S362 PolarHBondContact O-N 3.37Å; S362-M364 PolarHBondContact O-N 2.92Å
363E46.6Very low53.1Low169 Ų169116.5 Ų116.579%0.7966%0.664SS**  trans-7078-173.7-63.8-177.3133.900111.8S365E363-S365 PolarHBondContact O-N 3.22Å
364M41Very low55.4Low68 Ų68114 Ų11434%0.33565%0.647SS.*  trans-50.2117.8164.7-179.3-177.6-157.200107.3S362 E366 Q368 K369 K372S362-M364 PolarHBondContact O-N 2.92Å; M364-E366 PolarHBondContact O-N 3.12Å; M364-Q368 HydrophobicContact CE-CB 3.71Å; M364-Q368 HydrophobicContact CG-CB 3.73Å; M364-Q368 HydrophobicContact SD-CB 4.48Å; M364-K369 HydrophobicContact CB-CG 4.15Å; M364-K369 HydrophobicContact CG-CG 3.94Å; M364-K369 VanDerWaalsContact O-CD 3.27Å; M364-K369 WeakPolarHBondContact O-CD 3.36Å; M364-K369 WeakPolarHBondContact O-CE 3.41Å; M364-K369 PolarHBondContact O-NZ 3.35Å; M364-K369 HydrophobicContact SD-CG 3.98Å; M364-K372 HydrophobicContact CE-CB 4.35Å; M364-K372 HydrophobicContact CE-CD 3.95Å
365S54.6Low58Low65 Ų65111 Ų11146%0.45563%0.629SS.*  trans-47.1140.8-176.7172.10000110.2E363 E367 Q368 K369E363-S365 PolarHBondContact O-N 3.22Å; S365-E367 PolarHBondContact O-N 3.36Å; S365-E367 PolarHBondContact OG-N 3.4Å; S365-Q368 PolarHBondContact O-N 3.29Å; S365-K369 PolarHBondContact O-N 2.82Å
366E63.8Low60.5Low165 Ų165112.5 Ų112.577%0.77162%0.622SS**Hα-helixtrans-52.6-31.8179.1-62.2-161.4131.500111.9M364 K369 K370M364-E366 PolarHBondContact O-N 3.12Å; E366-K369 PolarHBondContact O-N 2.65Å; E366-K370 WeakPolarHBondContact O-CB 3.41Å; E366-K370 PolarHBondContact O-N 3.46Å
367E70.4Confident63.2Low145 Ų145115.7 Ų115.768%0.67862%0.617SS**Hα-helixtrans-66-43.9175.9-163.2148-119.100112.7S365 K370 E371S365-E367 PolarHBondContact O-N 3.36Å; S365-E367 PolarHBondContact OG-N 3.4Å; E367-K370 WeakPolarHBondContact O-CB 3.2Å; E367-K370 PolarHBondContact O-N 3Å; E367-E371 WeakPolarHBondContact O-CB 3.4Å; E367-E371 PolarHBondContact O-N 2.93Å
368Q70.7Confident65.9Low103 Ų103115.6 Ų115.648%0.48160%0.604SS.*Hα-helixtrans-70.6-35.9173.9-70.8-175.2-17.800112.2M364 S365 K370 E371 K372M364-Q368 HydrophobicContact CE-CB 3.71Å; M364-Q368 HydrophobicContact CG-CB 3.73Å; M364-Q368 HydrophobicContact SD-CB 4.48Å; S365-Q368 PolarHBondContact O-N 3.29Å; Q368-K370 VanDerWaalsContact C-N 3.34Å; Q368-E371 PolarHBondContact O-N 2.98Å; Q368-K372 WeakPolarHBondContact O-CB 3.41Å; Q368-K372 PolarHBondContact O-N 3.45Å
369K72Confident68.8Low100 Ų100117.6 Ų117.644%0.43560%0.599SS.*Hα-helixtrans-61.3-44.5171.6-73.9171.7174.81520110.6M364 S365 E366 K372 L373M364-K369 HydrophobicContact CB-CG 4.15Å; M364-K369 HydrophobicContact CG-CG 3.94Å; M364-K369 VanDerWaalsContact O-CD 3.27Å; M364-K369 WeakPolarHBondContact O-CD 3.36Å; M364-K369 WeakPolarHBondContact O-CE 3.41Å; M364-K369 PolarHBondContact O-NZ 3.35Å; M364-K369 HydrophobicContact SD-CG 3.98Å; S365-K369 PolarHBondContact O-N 2.82Å; E366-K369 PolarHBondContact O-N 2.65Å; K369-K372 PolarHBondContact O-N 2.81Å; K369-L373 WeakPolarHBondContact O-CB 3.45Å; K369-L373 VanDerWaalsContact O-CG 3.26Å; K369-L373 WeakPolarHBondContact O-CG 3.42Å; K369-L373 PolarHBondContact O-N 2.93Å
370K83.1Confident71Confident151 Ų151117 Ų11766%0.65758%0.583SS**Hα-helixtrans-65.4-41.8177-179.8-177.2177.8-172.50112.2E366 E367 Q368 L373 S374E366-K370 WeakPolarHBondContact O-CB 3.41Å; E366-K370 PolarHBondContact O-N 3.46Å; E367-K370 WeakPolarHBondContact O-CB 3.2Å; E367-K370 PolarHBondContact O-N 3Å; Q368-K370 VanDerWaalsContact C-N 3.34Å; K370-L373 PolarHBondContact O-N 2.94Å; K370-S374 WeakPolarHBondContact O-CB 3.46Å; K370-S374 PolarHBondContact O-N 3.48Å
371E86.4Confident73.9Confident132 Ų132119.2 Ų119.262%0.61758%0.578SS**Hα-helixtrans-60.6-52.7173.2-176.3176.5-154.200110.8E367 Q368 L373 S374 E375E367-E371 WeakPolarHBondContact O-CB 3.4Å; E367-E371 PolarHBondContact O-N 2.93Å; Q368-E371 PolarHBondContact O-N 2.98Å; E371-L373 VanDerWaalsContact C-N 3.32Å; E371-L373 PolarHBondContact O-N 3.34Å; E371-S374 CarbonylContact O-C 3.58Å; E371-S374 WeakPolarHBondContact O-CA 3.42Å; E371-S374 WeakPolarHBondContact O-CB 3.27Å; E371-S374 PolarHBondContact O-N 2.85Å; E371-S374 PolarHBondContact O-OG 3.2Å; E371-E375 PolarHBondContact O-N 2.81Å
372K84.3Confident76.7Confident119 Ų119116.6 Ų116.652%0.51756%0.56SS.*Hα-helixtrans-60.4-37.8178-171.8171178.8179.60112.6M364 Q368 K369 E375 L376M364-K372 HydrophobicContact CE-CB 4.35Å; M364-K372 HydrophobicContact CE-CD 3.95Å; Q368-K372 WeakPolarHBondContact O-CB 3.41Å; Q368-K372 PolarHBondContact O-N 3.45Å; K369-K372 PolarHBondContact O-N 2.81Å; K372-E375 PolarHBondContact O-N 3.23Å; K372-L376 HydrophobicContact CG-CD1 4.29Å; K372-L376 WeakPolarHBondContact O-CB 3.3Å; K372-L376 VanDerWaalsContact O-CG 3.26Å; K372-L376 WeakPolarHBondContact O-CG 3.42Å; K372-L376 PolarHBondContact O-N 3.23Å
373L82.8Confident79.1Confident103 Ų103117 Ų11754%0.53955%0.553SS.*Hα-helixtrans-65.6-36.7171.9-76.7168.3000112.5K369 K370 E371 R377K369-L373 WeakPolarHBondContact O-CB 3.45Å; K369-L373 VanDerWaalsContact O-CG 3.26Å; K369-L373 WeakPolarHBondContact O-CG 3.42Å; K369-L373 PolarHBondContact O-N 2.93Å; K370-L373 PolarHBondContact O-N 2.94Å; E371-L373 VanDerWaalsContact C-N 3.32Å; E371-L373 PolarHBondContact O-N 3.34Å; L373-R377 WeakPolarHBondContact O-CB 3.48Å; L373-R377 WeakPolarHBondContact O-CG 3.46Å; L373-R377 PolarHBondContact O-N 3.39Å
374S87.3Confident81.1Confident71 Ų71114.2 Ų114.250%0.49754%0.54SS..Hα-helixtrans-70.7-37.6175.378.60000112.4K370 E371 R377 K378K370-S374 WeakPolarHBondContact O-CB 3.46Å; K370-S374 PolarHBondContact O-N 3.48Å; E371-S374 CarbonylContact O-C 3.58Å; E371-S374 WeakPolarHBondContact O-CA 3.42Å; E371-S374 WeakPolarHBondContact O-CB 3.27Å; E371-S374 PolarHBondContact O-N 2.85Å; E371-S374 PolarHBondContact O-OG 3.2Å; S374-R377 PolarHBondContact O-N 3.46Å; S374-K378 WeakPolarHBondContact O-CB 3.48Å; S374-K378 PolarHBondContact O-N 3.44Å
375E92.1Very high83.6Confident93 Ų93114.9 Ų114.944%0.43555%0.545SS..Hα-helixtrans-67-42.5175.5-159.3-147.4-170.700111.2E371 K372 K378 K379E371-E375 PolarHBondContact O-N 2.81Å; K372-E375 PolarHBondContact O-N 3.23Å; E375-K378 PolarHBondContact O-N 3.02Å; E375-K379 VanDerWaalsContact CD-CE 3.49Å; E375-K379 WeakPolarHBondContact O-CG 3.48Å; E375-K379 PolarHBondContact O-N 2.8Å; E375-K379 WeakPolarHBondContact OE1-CE 3.49Å; E375-K379 IonicContact OE1-NZ 3.89Å; E375-K379 PolarHBondContact OE1-NZ 2.98Å; E375-K379 IonicContact OE2-NZ 3.74Å; E375-K379 PolarHBondContact OE2-NZ 3.31Å
376L86.1Confident85.4Confident93 Ų93115.8 Ų115.849%0.48754%0.544SS..Hα-helixtrans-63.6-44.3174.8-74.9170.1000111.8K372 K378 K379 E380K372-L376 HydrophobicContact CG-CD1 4.29Å; K372-L376 WeakPolarHBondContact O-CB 3.3Å; K372-L376 VanDerWaalsContact O-CG 3.26Å; K372-L376 WeakPolarHBondContact O-CG 3.42Å; K372-L376 PolarHBondContact O-N 3.23Å; L376-K378 VanDerWaalsContact C-N 3.33Å; L376-K378 PolarHBondContact O-N 3.04Å; L376-K379 PolarHBondContact O-N 3.05Å; L376-E380 WeakPolarHBondContact O-CB 3.27Å; L376-E380 PolarHBondContact O-N 3.22Å
377R87.4Confident86.5Confident175 Ų175113 Ų11366%0.6653%0.534SS*.Hα-helixtrans-62.4-37.4173.5-77.6176.6177.51711112.7L373 S374 E380 Q381L373-R377 WeakPolarHBondContact O-CB 3.48Å; L373-R377 WeakPolarHBondContact O-CG 3.46Å; L373-R377 PolarHBondContact O-N 3.39Å; S374-R377 PolarHBondContact O-N 3.46Å; R377-E380 PolarHBondContact O-N 3.37Å; R377-Q381 WeakPolarHBondContact O-CB 3.33Å; R377-Q381 PolarHBondContact O-N 2.99Å
378K94.7Very high87.2Confident150 Ų150107.4 Ų107.465%0.65251%0.513SS*.Hα-helixtrans-64.7-43.6174.9-174.7-178.9176.5-174.80111.4S374 E375 L376 Q381 E382S374-K378 WeakPolarHBondContact O-CB 3.48Å; S374-K378 PolarHBondContact O-N 3.44Å; E375-K378 PolarHBondContact O-N 3.02Å; L376-K378 VanDerWaalsContact C-N 3.33Å; L376-K378 PolarHBondContact O-N 3.04Å; K378-Q381 PolarHBondContact O-N 3.28Å; K378-E382 WeakPolarHBondContact O-CB 3.36Å; K378-E382 PolarHBondContact O-N 2.95Å
379K92Very high88.2Confident89 Ų89107.7 Ų107.739%0.38751%0.512SS..Hα-helixtrans-65.8-40.2175-72.4169.6-177.6167.80112E375 L376 E382 I383E375-K379 VanDerWaalsContact CD-CE 3.49Å; E375-K379 WeakPolarHBondContact O-CG 3.48Å; E375-K379 PolarHBondContact O-N 2.8Å; E375-K379 WeakPolarHBondContact OE1-CE 3.49Å; E375-K379 IonicContact OE1-NZ 3.89Å; E375-K379 PolarHBondContact OE1-NZ 2.98Å; E375-K379 IonicContact OE2-NZ 3.74Å; E375-K379 PolarHBondContact OE2-NZ 3.31Å; L376-K379 PolarHBondContact O-N 3.05Å; K379-E382 PolarHBondContact O-N 3.12Å; K379-I383 WeakPolarHBondContact O-CB 3.29Å; K379-I383 WeakPolarHBondContact O-CD1 3.36Å; K379-I383 WeakPolarHBondContact O-CG1 3.33Å; K379-I383 PolarHBondContact O-N 2.92Å
380E89.9Confident89Confident107 Ų107108.6 Ų108.650%0.552%0.516SS..Hα-helixtrans-58.2-51172.5-173-166.2167.500110.6L376 R377 E382 I383 Q384L376-E380 WeakPolarHBondContact O-CB 3.27Å; L376-E380 PolarHBondContact O-N 3.22Å; R377-E380 PolarHBondContact O-N 3.37Å; E380-E382 PolarHBondContact O-N 3.45Å; E380-I383 PolarHBondContact O-N 2.63Å; E380-Q384 WeakPolarHBondContact O-CG 3.3Å; E380-Q384 PolarHBondContact O-N 3.31Å; E380-Q384 PolarHBondContact OE1-NE2 3.32Å
381Q92.1Very high89Confident136 Ų136103.5 Ų103.564%0.63650%0.498SS*.Hα-helixtrans-62.7-41.4179-168.217213.900111.8R377 K378 Q384 D385R377-Q381 WeakPolarHBondContact O-CB 3.33Å; R377-Q381 PolarHBondContact O-N 2.99Å; K378-Q381 PolarHBondContact O-N 3.28Å; Q381-Q384 PolarHBondContact O-N 3.07Å; Q381-D385 VanDerWaalsContact O-CB 3.27Å; Q381-D385 WeakPolarHBondContact O-CB 3.28Å; Q381-D385 PolarHBondContact O-N 3.22Å
382E93.7Very high89Confident113 Ų113103.6 Ų103.653%0.52850%0.496SS..Hα-helixtrans-62-41.9174.4-178171.1-166.700112.3K378 K379 E380 D385 I386K378-E382 WeakPolarHBondContact O-CB 3.36Å; K378-E382 PolarHBondContact O-N 2.95Å; K379-E382 PolarHBondContact O-N 3.12Å; E380-E382 PolarHBondContact O-N 3.45Å; E382-D385 PolarHBondContact O-N 2.95Å; E382-I386 HydrophobicContact CG-CD1 4.05Å; E382-I386 VanDerWaalsContact O-CG1 3.27Å; E382-I386 WeakPolarHBondContact O-CG1 3.48Å; E382-I386 PolarHBondContact O-N 2.84Å
383I90.9Very high89.1Confident110 Ų110102.2 Ų102.256%0.56449%0.492SS*.Hα-helixtrans-66.5-42.6175.7-70.5165000111.1K379 E380 D385 I386 L387K379-I383 WeakPolarHBondContact O-CB 3.29Å; K379-I383 WeakPolarHBondContact O-CD1 3.36Å; K379-I383 WeakPolarHBondContact O-CG1 3.33Å; K379-I383 PolarHBondContact O-N 2.92Å; E380-I383 PolarHBondContact O-N 2.63Å; I383-D385 VanDerWaalsContact C-N 3.27Å; I383-D385 PolarHBondContact O-N 2.76Å; I383-I386 PolarHBondContact O-N 3.17Å; I383-L387 WeakPolarHBondContact O-CB 3.4Å; I383-L387 PolarHBondContact O-N 2.74Å
384Q88.1Confident89.2Confident110 Ų110100.3 Ų100.351%0.51448%0.482SS..Hα-helixtrans-60.1-39.3173.1-71.8-1801800111.1E380 Q381 L387 A388E380-Q384 WeakPolarHBondContact O-CG 3.3Å; E380-Q384 PolarHBondContact O-N 3.31Å; E380-Q384 PolarHBondContact OE1-NE2 3.32Å; Q381-Q384 PolarHBondContact O-N 3.07Å; Q384-L387 PolarHBondContact O-N 2.85Å; Q384-A388 VanDerWaalsContact O-CB 3.32Å; Q384-A388 WeakPolarHBondContact O-CB 3.28Å; Q384-A388 PolarHBondContact O-N 3.36Å
385D92.6Very high89.1Confident83 Ų8399 Ų9944%0.44447%0.467SS..Hα-helixtrans-71.9-35.8179.8-145.638.8000112Q381 E382 I383 A388 K389Q381-D385 VanDerWaalsContact O-CB 3.27Å; Q381-D385 WeakPolarHBondContact O-CB 3.28Å; Q381-D385 PolarHBondContact O-N 3.22Å; E382-D385 PolarHBondContact O-N 2.95Å; I383-D385 VanDerWaalsContact C-N 3.27Å; I383-D385 PolarHBondContact O-N 2.76Å; D385-A388 PolarHBondContact O-N 3.36Å; D385-K389 WeakPolarHBondContact O-CB 3.41Å; D385-K389 VanDerWaalsContact O-CD 3.25Å; D385-K389 WeakPolarHBondContact O-CD 3.29Å; D385-K389 WeakPolarHBondContact O-CG 3.4Å; D385-K389 PolarHBondContact O-N 3.04Å; D385-K389 WeakPolarHBondContact OD2-CE 3.24Å; D385-K389 IonicContact OD2-NZ 2.74Å; D385-K389 PolarHBondContact OD2-NZ 3.24Å
386I93.3Very high88.7Confident83 Ų83101 Ų10143%0.42647%0.474SS..Hα-helixtrans-65.4-43.4169.6-70.5164.6000110.8E382 I383 K389 K390E382-I386 HydrophobicContact CG-CD1 4.05Å; E382-I386 VanDerWaalsContact O-CG1 3.27Å; E382-I386 WeakPolarHBondContact O-CG1 3.48Å; E382-I386 PolarHBondContact O-N 2.84Å; I383-I386 PolarHBondContact O-N 3.17Å; I386-K389 PolarHBondContact O-N 3.06Å; I386-K390 HydrophobicContact CG2-CG 4.45Å; I386-K390 WeakPolarHBondContact O-CB 3.43Å; I386-K390 WeakPolarHBondContact O-CG 3.41Å; I386-K390 PolarHBondContact O-N 2.9Å
387L85.9Confident88.6Confident107 Ų107100.9 Ų100.956%0.5647%0.473SS*.Hα-helixtrans-63.8-41.1175.5-169.9156.8000110.9I383 Q384 K389 K390 T391I383-L387 WeakPolarHBondContact O-CB 3.4Å; I383-L387 PolarHBondContact O-N 2.74Å; Q384-L387 PolarHBondContact O-N 2.85Å; L387-K389 VanDerWaalsContact C-N 3.35Å; L387-K389 PolarHBondContact O-N 3.2Å; L387-K390 PolarHBondContact O-N 2.7Å; L387-T391 HydrophobicContact CD2-CG2 3.92Å; L387-T391 WeakPolarHBondContact O-CB 3.5Å; L387-T391 WeakPolarHBondContact O-CG2 3.04Å; L387-T391 PolarHBondContact O-N 2.76Å; L387-T391 PolarHBondContact O-OG1 3.47Å
388A87.1Confident88.3Confident28 Ų2892.6 Ų92.623%0.23144%0.442CS..Hα-helixtrans-64.1-36.3173.500000112.4Q384 D385 T391 K392Q384-A388 VanDerWaalsContact O-CB 3.32Å; Q384-A388 WeakPolarHBondContact O-CB 3.28Å; Q384-A388 PolarHBondContact O-N 3.36Å; D385-A388 PolarHBondContact O-N 3.36Å; A388-T391 WeakPolarHBondContact CA-OG1 3.33Å; A388-T391 PolarHBondContact O-OG1 2.91Å; A388-K392 WeakPolarHBondContact O-CB 3.4Å; A388-K392 VanDerWaalsContact O-CD 3.24Å; A388-K392 WeakPolarHBondContact O-CD 3.38Å; A388-K392 WeakPolarHBondContact O-CG 3.12Å; A388-K392 PolarHBondContact O-N 2.86Å
389K90.1Very high87.6Confident108 Ų10887.9 Ų87.947%0.4742%0.424SS..Hα-helixtrans-67.4-47.3172.5-71.2155.8-164158.20111D385 I386 L387 K392 E393D385-K389 WeakPolarHBondContact O-CB 3.41Å; D385-K389 VanDerWaalsContact O-CD 3.25Å; D385-K389 WeakPolarHBondContact O-CD 3.29Å; D385-K389 WeakPolarHBondContact O-CG 3.4Å; D385-K389 PolarHBondContact O-N 3.04Å; D385-K389 WeakPolarHBondContact OD2-CE 3.24Å; D385-K389 IonicContact OD2-NZ 2.74Å; D385-K389 PolarHBondContact OD2-NZ 3.24Å; I386-K389 PolarHBondContact O-N 3.06Å; L387-K389 VanDerWaalsContact C-N 3.35Å; L387-K389 PolarHBondContact O-N 3.2Å; K389-K392 PolarHBondContact O-N 3.2Å; K389-E393 WeakPolarHBondContact O-CG 3.44Å; K389-E393 PolarHBondContact O-N 3.16Å
390K89.4Confident86.8Confident119 Ų11990.8 Ų90.852%0.51743%0.432SS..Hα-helixtrans-67.5-39.1-179-71-73155.8-1570113.3I386 L387 E393 L394I386-K390 HydrophobicContact CG2-CG 4.45Å; I386-K390 WeakPolarHBondContact O-CB 3.43Å; I386-K390 WeakPolarHBondContact O-CG 3.41Å; I386-K390 PolarHBondContact O-N 2.9Å; L387-K390 PolarHBondContact O-N 2.7Å; K390-E393 WeakPolarHBondContact CD-OE2 3.38Å; K390-E393 WeakPolarHBondContact CE-OE2 3.26Å; K390-E393 IonicContact NZ-OE1 3.42Å; K390-E393 IonicContact NZ-OE2 2.71Å; K390-E393 PolarHBondContact NZ-OE2 3.4Å; K390-E393 PolarHBondContact O-N 3.16Å; K390-L394 WeakPolarHBondContact O-CB 3.47Å; K390-L394 PolarHBondContact O-N 3.3Å
391T83.4Confident86.1Confident45 Ų4590 Ų9028%0.27643%0.428SS..Hα-helixtrans-66.8-36172.550.20000112.2L387 A388 L394 K395L387-T391 HydrophobicContact CD2-CG2 3.92Å; L387-T391 WeakPolarHBondContact O-CB 3.5Å; L387-T391 WeakPolarHBondContact O-CG2 3.04Å; L387-T391 PolarHBondContact O-N 2.76Å; L387-T391 PolarHBondContact O-OG1 3.47Å; A388-T391 WeakPolarHBondContact CA-OG1 3.33Å; A388-T391 PolarHBondContact O-OG1 2.91Å; T391-L394 PolarHBondContact O-N 3.42Å; T391-K395 WeakPolarHBondContact O-CG 3.49Å; T391-K395 PolarHBondContact O-N 3.02Å
392K86.7Confident85.4Confident133 Ų13383.5 Ų83.558%0.57840%0.398SS*.Hα-helixtrans-66.5-35.9171.2-73.3167-170.6170.60112.5A388 K389 K396A388-K392 WeakPolarHBondContact O-CB 3.4Å; A388-K392 VanDerWaalsContact O-CD 3.24Å; A388-K392 WeakPolarHBondContact O-CD 3.38Å; A388-K392 WeakPolarHBondContact O-CG 3.12Å; A388-K392 PolarHBondContact O-N 2.86Å; K389-K392 PolarHBondContact O-N 3.2Å; K392-K396 VanDerWaalsContact O-CG 3.3Å; K392-K396 WeakPolarHBondContact O-CG 3.27Å; K392-K396 PolarHBondContact O-N 2.88Å
393E86.6Confident84.6Confident91 Ų9181.1 Ų81.143%0.42539%0.387SS..Hα-helixtrans-65.3-46.1170.9-74176.9169.100111.7K389 K390 K396 I397K389-E393 WeakPolarHBondContact O-CG 3.44Å; K389-E393 PolarHBondContact O-N 3.16Å; K390-E393 WeakPolarHBondContact CD-OE2 3.38Å; K390-E393 WeakPolarHBondContact CE-OE2 3.26Å; K390-E393 IonicContact NZ-OE1 3.42Å; K390-E393 IonicContact NZ-OE2 2.71Å; K390-E393 PolarHBondContact NZ-OE2 3.4Å; K390-E393 PolarHBondContact O-N 3.16Å; E393-K396 CarbonylContact O-C 3.58Å; E393-K396 WeakPolarHBondContact O-CA 3.35Å; E393-K396 WeakPolarHBondContact O-CB 3.4Å; E393-K396 PolarHBondContact O-N 3.05Å; E393-K396 VanDerWaalsContact O-N 3.13Å; E393-I397 WeakPolarHBondContact O-CG1 3.48Å; E393-I397 PolarHBondContact O-N 3.35Å
394L83.9Confident83.4Confident63 Ų6382 Ų8233%0.3339%0.392SS..Hα-helixtrans-61.1-48.2177.5-176.460000111.8K390 T391 K396 I397 C398 P413K390-L394 WeakPolarHBondContact O-CB 3.47Å; K390-L394 PolarHBondContact O-N 3.3Å; T391-L394 PolarHBondContact O-N 3.42Å; L394-K396 PolarHBondContact O-N 2.77Å; L394-I397 PolarHBondContact O-N 3.49Å; L394-C398 PolarHBondContact O-N 3.32Å; L394-C398 PolarHBondContact O-SG 2.91Å; L394-P413 HydrophobicContact CD2-CG 3.81Å; L394-P413 HydrophobicContact CG-CG 4.29Å
395K84.6Confident82.4Confident42 Ų4280.6 Ų80.618%0.18339%0.391CS..Hα-helixtrans-52.5-42.7172.4-74.1-169-167.7-139.20111.1T391 I397 L399 Y412 P413 E418T391-K395 WeakPolarHBondContact O-CG 3.49Å; T391-K395 PolarHBondContact O-N 3.02Å; K395-I397 PolarHBondContact O-N 2.67Å; K395-L399 WeakPolarHBondContact O-CB 3.39Å; K395-L399 WeakPolarHBondContact O-CD1 3.21Å; K395-L399 VanDerWaalsContact O-CG 3.22Å; K395-L399 WeakPolarHBondContact O-CG 3.45Å; K395-L399 PolarHBondContact O-N 2.98Å; K395-Y412 HydrophobicContact CB-CD2 4.36Å; K395-Y412 HydrophobicContact CB-CE2 3.73Å; K395-Y412 HydrophobicContact CD-CE2 4.21Å; K395-Y412 HydrophobicContact CG-CD2 4.24Å; K395-Y412 HydrophobicContact CG-CE2 3.7Å; K395-P413 WeakPolarHBondContact CE-O 3.4Å; K395-P413 HydrophobicContact CG-CG 4.38Å; K395-P413 PolarHBondContact NZ-O 2.93Å; K395-E418 IonicContact NZ-OE2 2.72Å; K395-E418 PolarHBondContact NZ-OE2 3.41Å
396K85.3Confident81.2Confident136 Ų13678 Ų7859%0.59138%0.384SS*.Hα-helixtrans-70.3-23176.1-72.4172.5-179179.50114.4K392 E393 L394 R400K392-K396 VanDerWaalsContact O-CG 3.3Å; K392-K396 WeakPolarHBondContact O-CG 3.27Å; K392-K396 PolarHBondContact O-N 2.88Å; E393-K396 CarbonylContact O-C 3.58Å; E393-K396 WeakPolarHBondContact O-CA 3.35Å; E393-K396 WeakPolarHBondContact O-CB 3.4Å; E393-K396 PolarHBondContact O-N 3.05Å; E393-K396 VanDerWaalsContact O-N 3.13Å; L394-K396 PolarHBondContact O-N 2.77Å; K396-R400 PolarHBondContact O-NE 3.3Å; K396-R400 PolarHBondContact O-NH2 3Å
397I82.9Confident80.2Confident90 Ų9082.1 Ų82.146%0.46240%0.399SS..Hα-helixtrans-81.1-54.3175.4-69.3164.8000109.1E393 L394 K395 L399 R400 E401E393-I397 WeakPolarHBondContact O-CG1 3.48Å; E393-I397 PolarHBondContact O-N 3.35Å; L394-I397 PolarHBondContact O-N 3.49Å; K395-I397 PolarHBondContact O-N 2.67Å; I397-L399 PolarHBondContact O-N 2.82Å; I397-R400 PolarHBondContact O-N 3.3Å; I397-E401 PolarHBondContact O-N 3.47Å
398C81.3Confident79.8Confident2 Ų279.5 Ų79.51%0.01439%0.385CS..Hα-helixtrans-59.3-32.8179.4-59.90000112.8L394 A402 P409 Y412L394-C398 PolarHBondContact O-N 3.32Å; L394-C398 PolarHBondContact O-SG 2.91Å; C398-A402 VanDerWaalsContact O-CB 3.23Å; C398-A402 WeakPolarHBondContact O-CB 3.36Å; C398-A402 PolarHBondContact O-N 3Å; C398-P409 HydrophobicContact CB-CB 4.31Å; C398-P409 HydrophobicContact CB-CG 4.04Å; C398-P409 WeakPolarHBondContact O-CD 3.44Å; C398-Y412 HydrophobicContact CB-CD2 4Å
399L80.6Confident79.2Confident50 Ų5079 Ų7926%0.26238%0.38SS..Hα-helixtrans-67.6-41.2172-76.1167.3000112.9K395 I397 A402 E403 L408 Y412 P421 V423K395-L399 WeakPolarHBondContact O-CB 3.39Å; K395-L399 WeakPolarHBondContact O-CD1 3.21Å; K395-L399 VanDerWaalsContact O-CG 3.22Å; K395-L399 WeakPolarHBondContact O-CG 3.45Å; K395-L399 PolarHBondContact O-N 2.98Å; I397-L399 PolarHBondContact O-N 2.82Å; L399-A402 PolarHBondContact O-N 3.5Å; L399-E403 WeakPolarHBondContact O-CG 3.48Å; L399-E403 PolarHBondContact O-N 2.91Å; L399-L408 HydrophobicContact CD2-CD1 4.3Å; L399-Y412 HydrophobicContact CD1-CE2 4.07Å; L399-Y412 HydrophobicContact CD2-CE2 4.26Å; L399-Y412 HydrophobicContact CG-CD2 4.41Å; L399-Y412 HydrophobicContact CG-CE2 3.85Å; L399-P421 HydrophobicContact CD2-CB 4.46Å; L399-P421 HydrophobicContact CD2-CG 3.82Å; L399-V423 HydrophobicContact CD2-CG2 3.95Å
400R73.6Confident78.2Confident151 Ų15184.3 Ų84.357%0.5740%0.403SS*.Hα-helixtrans-67.5-36.9176.1-81.2178.2-72.8171.30.5112K396 I397 E403 L404K396-R400 PolarHBondContact O-NE 3.3Å; K396-R400 PolarHBondContact O-NH2 3Å; I397-R400 PolarHBondContact O-N 3.3Å; R400-E403 PolarHBondContact O-N 2.91Å; R400-L404 WeakPolarHBondContact O-CG 3.28Å; R400-L404 PolarHBondContact O-N 2.9Å
401E77Confident77.5Confident89 Ų8985.7 Ų85.742%0.41641%0.411SS..Hα-helixtrans-63.5-46.9171.3-169.3-168.615500111.2I397 E403 L404 T405 P409I397-E401 PolarHBondContact O-N 3.47Å; E401-E403 VanDerWaalsContact C-N 3.29Å; E401-E403 PolarHBondContact O-N 3.42Å; E401-L404 WeakPolarHBondContact O-CB 3.47Å; E401-L404 PolarHBondContact O-N 3.41Å; E401-T405 HydrophobicContact CG-CG2 4.3Å; E401-T405 PolarHBondContact O-N 3.05Å; E401-T405 PolarHBondContact O-OG1 3.24Å; E401-P409 HydrophobicContact CB-CG 4.13Å; E401-P409 VanDerWaalsContact CD-CG 3.41Å; E401-P409 HydrophobicContact CG-CG 4.13Å; E401-P409 WeakPolarHBondContact OE2-CG 3.47Å
402A77.4Confident77.3Confident0 Ų084.9 Ų84.90%040%0.403CS..Hα-helixtrans-61.8-34.2177.500000113.2C398 L399 L404 G406 K407 L408 V423C398-A402 VanDerWaalsContact O-CB 3.23Å; C398-A402 WeakPolarHBondContact O-CB 3.36Å; C398-A402 PolarHBondContact O-N 3Å; L399-A402 PolarHBondContact O-N 3.5Å; A402-L404 VanDerWaalsContact C-N 3.28Å; A402-L404 PolarHBondContact O-N 3.42Å; A402-G406 WeakPolarHBondContact O-CA 3.39Å; A402-G406 PolarHBondContact O-N 3.39Å; A402-K407 WeakPolarHBondContact CA-O 3.32Å; A402-K407 WeakPolarHBondContact CB-O 3.4Å; A402-L408 HydrophobicContact CB-CD1 4Å; A402-V423 HydrophobicContact CB-CB 3.99Å; A402-V423 HydrophobicContact CB-CG1 3.82Å; A402-V423 HydrophobicContact CB-CG2 3.82Å; A402-V423 WeakPolarHBondContact O-CG1 3.37Å
403E76.1Confident76.7Confident63 Ų6380.4 Ų80.429%0.29439%0.387SS..Hα-helixtrans-64.8-32.3173.6-79-177-145.200111.9L399 R400 E401 V423 R425 R426L399-E403 WeakPolarHBondContact O-CG 3.48Å; L399-E403 PolarHBondContact O-N 2.91Å; R400-E403 PolarHBondContact O-N 2.91Å; E401-E403 VanDerWaalsContact C-N 3.29Å; E401-E403 PolarHBondContact O-N 3.42Å; E403-V423 HydrophobicContact CB-CG1 4.43Å; E403-V423 HydrophobicContact CG-CG1 3.83Å; E403-R425 CarbonylContact O-C 3.59Å; E403-R425 WeakPolarHBondContact O-CA 3.23Å; E403-R426 HydrophobicContact CB-CG 4.39Å; E403-R426 PolarHBondContact O-N 3.11Å; E403-R426 VanDerWaalsContact OE2-CD 3.29Å; E403-R426 WeakPolarHBondContact OE2-CD 3.38Å; E403-R426 IonicContact OE2-CZ 2.99Å; E403-R426 IonicContact OE2-NE 3.13Å; E403-R426 PolarHBondContact OE2-NE 2.8Å; E403-R426 IonicContact OE2-NH2 3.58Å
404L65.8Low75.9Confident129 Ų12980.4 Ų80.468%0.67539%0.39SS*.Hα-helixtrans-82.1-49.4178.5-66168.3000112.4R400 E401 A402R400-L404 WeakPolarHBondContact O-CG 3.28Å; R400-L404 PolarHBondContact O-N 2.9Å; E401-L404 WeakPolarHBondContact O-CB 3.47Å; E401-L404 PolarHBondContact O-N 3.41Å; A402-L404 VanDerWaalsContact C-N 3.28Å; A402-L404 PolarHBondContact O-N 3.42Å
405T67.3Low75Confident80 Ų8080.4 Ų80.449%0.49140%0.395SS..Hα-helixtrans-81.2-24.6-176.662.60000113.2E401 K407E401-T405 HydrophobicContact CG-CG2 4.3Å; E401-T405 PolarHBondContact O-N 3.05Å; E401-T405 PolarHBondContact O-OG1 3.24Å; T405-K407 VanDerWaalsContact C-N 3.35Å; T405-K407 PolarHBondContact OG1-N 3.47Å; T405-K407 PolarHBondContact OG1-O 3.31Å
406G65.9Low73.1Confident28 Ų2885 Ų8529%0.28943%0.433SS..SBendtrans78.512.6-172.700000114.7A402A402-G406 WeakPolarHBondContact O-CA 3.39Å; A402-G406 PolarHBondContact O-N 3.39Å
407K72.5Confident71.7Confident170 Ų17082.5 Ų82.574%0.73945%0.445SS*.SBendtrans-137.5136.2176.8-65.2-177.7-179.6178.60109.9A402 T405 P409A402-K407 WeakPolarHBondContact CA-O 3.32Å; A402-K407 WeakPolarHBondContact CB-O 3.4Å; T405-K407 VanDerWaalsContact C-N 3.35Å; T405-K407 PolarHBondContact OG1-N 3.47Å; T405-K407 PolarHBondContact OG1-O 3.31Å; K407-P409 WeakPolarHBondContact O-CD 3.33Å
408L77.3Confident70.9Confident52 Ų5282.4 Ų82.427%0.27244%0.443SS..  trans-71.5127.4177.5-169.368.7000110.4L399 A402 Y412 P420 P421 V423L399-L408 HydrophobicContact CD2-CD1 4.3Å; A402-L408 HydrophobicContact CB-CD1 4Å; L408-Y412 HydrophobicContact CD1-CD2 4.01Å; L408-Y412 HydrophobicContact CD1-CG 4.01Å; L408-Y412 HydrophobicContact CD2-CD1 4.03Å; L408-Y412 HydrophobicContact CD2-CG 4.06Å; L408-Y412 HydrophobicContact CG-CG 4.24Å; L408-P420 HydrophobicContact CD2-CB 3.75Å; L408-P421 HydrophobicContact CD1-CG 4.48Å; L408-P421 HydrophobicContact CD2-CG 4.32Å; L408-V423 HydrophobicContact CD1-CG2 4.31Å
409P75.8Confident69.8Low19 Ų1993.4 Ų93.412%0.12348%0.484CS..  trans-59.7144.6174.1-26.535.8000112.4C398 E401 K407 E411 Y412C398-P409 HydrophobicContact CB-CB 4.31Å; C398-P409 HydrophobicContact CB-CG 4.04Å; C398-P409 WeakPolarHBondContact O-CD 3.44Å; E401-P409 HydrophobicContact CB-CG 4.13Å; E401-P409 VanDerWaalsContact CD-CG 3.41Å; E401-P409 HydrophobicContact CG-CG 4.13Å; E401-P409 WeakPolarHBondContact OE2-CG 3.47Å; K407-P409 WeakPolarHBondContact O-CD 3.33Å; P409-E411 PolarHBondContact O-N 3.14Å; P409-E411 VanDerWaalsContact O-N 3.14Å; P409-Y412 WeakPolarHBondContact O-CB 3.34Å; P409-Y412 PolarHBondContact O-N 2.74Å
410K68.9Low69Low218 Ų21894.8 Ų94.895%0.94850%0.496SS*.THydrogen-bonded Turntrans-62.1-20.2177.2-66.1-176.9179-179.50113.3Y412K410-Y412 VanDerWaalsContact C-N 3.33Å
411E74.9Confident68.6Low149 Ų14989.9 Ų89.970%0.69648%0.484SS*.THydrogen-bonded Turntrans-82.9-4.1-179-66.7166.3-147.700113.5P409 P413P409-E411 PolarHBondContact O-N 3.14Å; P409-E411 VanDerWaalsContact O-N 3.14Å; E411-P413 WeakPolarHBondContact O-CD 3.31Å
412Y78.3Confident67.7Low28 Ų2895.1 Ų95.111%0.1151%0.509CS..SBendtrans-62.6116.2176.2-179.1-92.8000110.6K395 C398 L399 L408 P409 K410 L414 P421K395-Y412 HydrophobicContact CB-CD2 4.36Å; K395-Y412 HydrophobicContact CB-CE2 3.73Å; K395-Y412 HydrophobicContact CD-CE2 4.21Å; K395-Y412 HydrophobicContact CG-CD2 4.24Å; K395-Y412 HydrophobicContact CG-CE2 3.7Å; C398-Y412 HydrophobicContact CB-CD2 4Å; L399-Y412 HydrophobicContact CD1-CE2 4.07Å; L399-Y412 HydrophobicContact CD2-CE2 4.26Å; L399-Y412 HydrophobicContact CG-CD2 4.41Å; L399-Y412 HydrophobicContact CG-CE2 3.85Å; L408-Y412 HydrophobicContact CD1-CD2 4.01Å; L408-Y412 HydrophobicContact CD1-CG 4.01Å; L408-Y412 HydrophobicContact CD2-CD1 4.03Å; L408-Y412 HydrophobicContact CD2-CG 4.06Å; L408-Y412 HydrophobicContact CG-CG 4.24Å; P409-Y412 WeakPolarHBondContact O-CB 3.34Å; P409-Y412 PolarHBondContact O-N 2.74Å; K410-Y412 VanDerWaalsContact C-N 3.33Å; Y412-L414 HydrophobicContact CD1-CD2 3.76Å; Y412-L414 HydrophobicContact CD1-CG 4.16Å; Y412-L414 HydrophobicContact CE1-CD2 3.81Å; Y412-L414 PolarHBondContact O-N 2.89Å; Y412-P421 HydrophobicContact CE1-CG 4.28Å
413P74.7Confident67Low38 Ų3896.9 Ų96.925%0.24752%0.519CS..  trans-67.5110.2-176.4-21.734000111.7L394 K395 E411L394-P413 HydrophobicContact CD2-CG 3.81Å; L394-P413 HydrophobicContact CG-CG 4.29Å; K395-P413 WeakPolarHBondContact CE-O 3.4Å; K395-P413 HydrophobicContact CG-CG 4.38Å; K395-P413 PolarHBondContact NZ-O 2.93Å; E411-P413 WeakPolarHBondContact O-CD 3.31Å
414L70.8Confident66.1Low91 Ų91104.7 Ų104.748%0.47655%0.546SS..  trans-89.3129.4172.1-67.1171.9000109.8Y412 P420Y412-L414 HydrophobicContact CD1-CD2 3.76Å; Y412-L414 HydrophobicContact CD1-CG 4.16Å; Y412-L414 HydrophobicContact CE1-CD2 3.81Å; Y412-L414 PolarHBondContact O-N 2.89Å; L414-P420 HydrophobicContact CD2-CB 4.1Å
415S64.2Low65.8Low64 Ų64105.8 Ų105.845%0.44854%0.541SS..  trans-74.2148170.1-350000108.8G417 E418S415-G417 PolarHBondContact O-N 3.28Å; S415-E418 VanDerWaalsContact CB-OE2 3.28Å; S415-E418 WeakPolarHBondContact CB-OE2 3.47Å; S415-E418 PolarHBondContact N-OE2 2.99Å; S415-E418 VanDerWaalsContact O-CB 3.25Å; S415-E418 WeakPolarHBondContact O-CB 3.35Å; S415-E418 PolarHBondContact O-N 3.22Å; S415-E418 PolarHBondContact OG-OE2 3.48Å
416S44.7Very low65.3Low138 Ų138110.3 Ų110.397%0.96555%0.549SS*.THydrogen-bonded Turntrans-55.6110.3-177-58.70000112.3
417G55.6Low64.4Low83 Ų83114.2 Ų114.286%0.85657%0.567SS**THydrogen-bonded Turntrans95.4-6.4-177.100000116S415S415-G417 PolarHBondContact O-N 3.28Å
418E67.1Low63.4Low89 Ų89108.8 Ų108.842%0.41656%0.56SS.*PPolyproline II helixtrans-76.9124179.6-164.9178.5-159.800111K395 S415K395-E418 IonicContact NZ-OE2 2.72Å; K395-E418 PolarHBondContact NZ-OE2 3.41Å; S415-E418 VanDerWaalsContact CB-OE2 3.28Å; S415-E418 WeakPolarHBondContact CB-OE2 3.47Å; S415-E418 PolarHBondContact N-OE2 2.99Å; S415-E418 VanDerWaalsContact O-CB 3.25Å; S415-E418 WeakPolarHBondContact O-CB 3.35Å; S415-E418 PolarHBondContact O-N 3.22Å; S415-E418 PolarHBondContact OG-OE2 3.48Å
419R57.8Low61.9Low232 Ų232111.5 Ų111.588%0.87558%0.578SS**PPolyproline II helixtrans-75.4138177.9-69.4-174.6179.4-177.10.3110.8
420P63Low60.2Low79 Ų79115.3 Ų115.351%0.51361%0.612SS.*PPolyproline II helixtrans-64139.2-178.325-34000112.1L408 L414L408-P420 HydrophobicContact CD2-CB 3.75Å; L414-P420 HydrophobicContact CD2-CB 4.1Å
421P65.7Low59.2Low49 Ų49112.2 Ų112.232%0.31860%0.598SS.*PPolyproline II helixtrans-67.1136.6-178.325.8-33.7000112.1L399 L408 Y412 V423L399-P421 HydrophobicContact CD2-CB 4.46Å; L399-P421 HydrophobicContact CD2-CG 3.82Å; L408-P421 HydrophobicContact CD1-CG 4.48Å; L408-P421 HydrophobicContact CD2-CG 4.32Å; Y412-P421 HydrophobicContact CE1-CG 4.28Å; P421-V423 PolarHBondContact O-N 2.95Å
422Q58.2Low58Low199 Ų199113.5 Ų113.593%0.9360%0.602SS**  trans-80.388.7-178.1-169.2177.617.900111.3
423V61.7Low56.5Low36 Ų36115.1 Ų115.122%0.21861%0.612CS.*  trans-79.9127.5-178-170.80000111.6L399 A402 E403 L408 P421L399-V423 HydrophobicContact CD2-CG2 3.95Å; A402-V423 HydrophobicContact CB-CB 3.99Å; A402-V423 HydrophobicContact CB-CG1 3.82Å; A402-V423 HydrophobicContact CB-CG2 3.82Å; A402-V423 WeakPolarHBondContact O-CG1 3.37Å; E403-V423 HydrophobicContact CB-CG1 4.43Å; E403-V423 HydrophobicContact CG-CG1 3.83Å; L408-V423 HydrophobicContact CD1-CG2 4.31Å; P421-V423 PolarHBondContact O-N 2.95Å
424R57.5Low55.3Low227 Ų227118.4 Ų118.486%0.85763%0.627SS**  trans-104.3116.9177.4176.9175.5169178.1-4109.4R426R424-R426 PolarHBondContact O-N 3.37Å
425R60.9Low54.5Low153 Ų153121.9 Ų121.958%0.57765%0.646SS**  trans-47.7118.7-176.1-171.4179.369.2162.80.8112.2E403 V427E403-R425 CarbonylContact O-C 3.59Å; E403-R425 WeakPolarHBondContact O-CA 3.23Å; R425-V427 PolarHBondContact O-N 3.21Å
426R56.1Low54Low175 Ų175124.7 Ų124.766%0.6666%0.656SS**  trans-72105.8163.8-73.6-165.8-173.3-112.11.3108E403 R424 G428E403-R426 HydrophobicContact CB-CG 4.39Å; E403-R426 PolarHBondContact O-N 3.11Å; E403-R426 VanDerWaalsContact OE2-CD 3.29Å; E403-R426 WeakPolarHBondContact OE2-CD 3.38Å; E403-R426 IonicContact OE2-CZ 2.99Å; E403-R426 IonicContact OE2-NE 3.13Å; E403-R426 PolarHBondContact OE2-NE 2.8Å; E403-R426 IonicContact OE2-NH2 3.58Å; R424-R426 PolarHBondContact O-N 3.37Å; R426-G428 PolarHBondContact O-N 3.07Å
427V47.6Very low54.4Low109 Ų109123.5 Ų123.566%0.66163%0.634SS**  trans-70.296.3171.4-177.20000108.1R425R425-V427 PolarHBondContact O-N 3.21Å
428G50.2Low54.3Low57 Ų57125.1 Ų125.159%0.58863%0.629SS**  trans-60.8136.9167.700000110R426 A430R426-G428 PolarHBondContact O-N 3.07Å; G428-A430 VanDerWaalsContact C-N 3.28Å; G428-A430 PolarHBondContact O-N 3.46Å
429T46.4Very low53.6Low108 Ų108129.6 Ų129.666%0.66364%0.643SS**  trans-72.383.8177.149.50000110F431T429-F431 VanDerWaalsContact C-N 3.28Å; T429-F431 HydrophobicContact CG2-CZ 4.43Å; T429-F431 WeakPolarHBondContact O-CD2 3.47Å; T429-F431 PolarHBondContact O-N 2.98Å; T429-F431 VanDerWaalsContact OG1-CE2 3.32Å; T429-F431 WeakPolarHBondContact OG1-CE2 3.48Å
430A39.8Very low53.5Low100 Ų100124.8 Ų124.883%0.82664%0.635SS**  trans-7083.917300000109.9G428 K432G428-A430 VanDerWaalsContact C-N 3.28Å; G428-A430 PolarHBondContact O-N 3.46Å; A430-K432 PolarHBondContact O-N 3.45Å
431F47.2Very low53.3Low152 Ų152128.3 Ų128.367%0.66765%0.645SS**  trans-70.2112.2175.7-67.7-75.2000110.2T429T429-F431 VanDerWaalsContact C-N 3.28Å; T429-F431 HydrophobicContact CG2-CZ 4.43Å; T429-F431 WeakPolarHBondContact O-CD2 3.47Å; T429-F431 PolarHBondContact O-N 2.98Å; T429-F431 VanDerWaalsContact OG1-CE2 3.32Å; T429-F431 WeakPolarHBondContact OG1-CE2 3.48Å
432K49.7Very low53.5Low176 Ų176127.2 Ų127.277%0.76564%0.636SS**PPolyproline II helixtrans-61.8140.3154.6-69.2-171.6174.8-172.10108.8A430 K457A430-K432 PolarHBondContact O-N 3.45Å; K432-K457 PolarHBondContact O-NZ 3.4Å
433L48.4Very low54.4Low63 Ų63122 Ų12233%0.3362%0.62SS.*PPolyproline II helixtrans-85.7132.5149.7-9965.2000106L454 K457L433-L454 HydrophobicContact CD1-CD1 4Å; L433-L454 HydrophobicContact CD2-CB 4.23Å; L433-K457 HydrophobicContact CD1-CD 4.42Å
434D48.6Very low55.2Low106 Ų106125.9 Ų125.957%0.56763%0.634SS**PPolyproline II helixtrans-80.8131174.9-46.9-75.7000107.9L436 K457D434-L436 HydrophobicContact CB-CD1 4.28Å; D434-L436 HydrophobicContact CB-CG 4.1Å; D434-L436 PolarHBondContact O-N 2.89Å; D434-K457 IonicContact OD2-NZ 2.72Å
435D53.3Low56.3Low164 Ų164115.8 Ų115.888%0.87760%0.597SS**  trans-74.166.9-176.8-72.5-56.9000111.8F437D435-F437 PolarHBondContact O-N 3.03Å
436L53.8Low57.1Low124 Ų124114.3 Ų114.365%0.64959%0.591SS**  trans-73.79-168.1-81.2165.1000116D434D434-L436 HydrophobicContact CB-CD1 4.28Å; D434-L436 HydrophobicContact CB-CG 4.1Å; D434-L436 PolarHBondContact O-N 2.89Å
437F54.3Low58.5Low112 Ų112110.2 Ų110.249%0.49158%0.583SS.*  trans-139.478.6-172.3-58.1-70.1000113.4D435 Y439D435-F437 PolarHBondContact O-N 3.03Å; F437-Y439 PolarHBondContact O-N 3.23Å
438P54Low60.2Low118 Ų118105.2 Ų105.277%0.76655%0.552SS**  trans-81.548.4-177.835.3-37.8000113.8
439Y51.1Low61.8Low182 Ų182103.9 Ų103.971%0.71453%0.531SS*.  trans-139.1136.5172.3-93.4-92.1000111.6F437 E441F437-Y439 PolarHBondContact O-N 3.23Å; Y439-E441 HydrophobicContact CD1-CG 4.48Å
440N55.6Low63.4Low131 Ų131101.6 Ų101.670%0.70152%0.519SS*.  trans-103.213.9-168.6-83.5-36.9000115D442 R446N440-D442 PolarHBondContact O-N 2.97Å; N440-R446 PolarHBondContact OD1-NH1 3.07Å
441E59.8Low65.6Low154 Ų154101.2 Ų101.272%0.7250%0.496SS*.SBendtrans-69.8-23.3-169.6-60.5-175.6167.400115.5Y439Y439-E441 HydrophobicContact CD1-CG 4.48Å
442D69.7Low67.5Low25 Ų2595.1 Ų95.113%0.13447%0.469CS..  trans-147.895.3-179-162.4-46.8000112.6N440 F444 L445 R446 Y500 K504N440-D442 PolarHBondContact O-N 2.97Å; D442-F444 PolarHBondContact O-N 3.25Å; D442-F444 PolarHBondContact OD1-N 2.68Å; D442-F444 VanDerWaalsContact OD1-N 3.1Å; D442-L445 HydrophobicContact CB-CB 4.02Å; D442-L445 PolarHBondContact OD1-N 3.3Å; D442-R446 WeakPolarHBondContact O-CB 3.37Å; D442-R446 PolarHBondContact O-N 3.35Å; D442-Y500 PolarHBondContact OD1-OH 3.02Å; D442-Y500 WeakPolarHBondContact OD2-CE1 3.34Å; D442-Y500 PolarHBondContact OD2-OH 3.45Å; D442-K504 WeakPolarHBondContact OD2-CD 3.5Å; D442-K504 WeakPolarHBondContact OD2-CE 3.24Å; D442-K504 IonicContact OD2-NZ 2.93Å; D442-K504 PolarHBondContact OD2-NZ 2.86Å
443P76.7Confident69Low91 Ų9188.6 Ų88.659%0.59145%0.448SS*.Hα-helixtrans-61.4-27.3-179.6-26.235.6000114.6N447P443-N447 PolarHBondContact O-N 3.32Å; P443-N447 VanDerWaalsContact O-N 3.15Å
444F79.4Confident70.7Confident116 Ų11689.6 Ų89.651%0.50945%0.454SS..Hα-helixtrans-80.7-45.5-177.1-171-90.8000111.1D442 R446 N447 L448 Y500D442-F444 PolarHBondContact O-N 3.25Å; D442-F444 PolarHBondContact OD1-N 2.68Å; D442-F444 VanDerWaalsContact OD1-N 3.1Å; F444-R446 VanDerWaalsContact C-N 3.31Å; F444-R446 PolarHBondContact O-N 2.93Å; F444-N447 WeakPolarHBondContact O-CB 3.32Å; F444-N447 PolarHBondContact O-N 3.29Å; F444-L448 HydrophobicContact CD1-CD1 3.95Å; F444-L448 HydrophobicContact CD1-CG 4.5Å; F444-L448 HydrophobicContact CE1-CD1 3.61Å; F444-L448 HydrophobicContact CE1-CG 4.29Å; F444-L448 HydrophobicContact CZ-CD1 4.47Å; F444-L448 PolarHBondContact O-N 3.43Å; F444-L448 VanDerWaalsContact O-N 3.11Å; F444-Y500 HydrophobicContact CB-CE1 4.43Å; F444-Y500 HydrophobicContact CB-CE2 4.41Å; F444-Y500 HydrophobicContact CD1-CD1 4.05Å; F444-Y500 AromaticContact CD1-CD2 3.39Å; F444-Y500 HydrophobicContact CD1-CD2 3.39Å; F444-Y500 AromaticContact CD1-CE1 3.95Å; F444-Y500 HydrophobicContact CD1-CE1 3.95Å; F444-Y500 AromaticContact CD1-CE2 3.26Å; F444-Y500 HydrophobicContact CD1-CE2 3.26Å; F444-Y500 AromaticContact CD1-CG 3.79Å; F444-Y500 HydrophobicContact CD1-CG 3.79Å; F444-Y500 AromaticContact CD1-CZ 3.56Å; F444-Y500 AromaticContact CE1-CD2 3.41Å; F444-Y500 HydrophobicContact CE1-CD2 3.41Å; F444-Y500 VanDerWaalsContact CE1-CD2 3.41Å; F444-Y500 AromaticContact CE1-CE2 3.67Å; F444-Y500 HydrophobicContact CE1-CE2 3.67Å; F444-Y500 AromaticContact CE1-CG 3.96Å; F444-Y500 HydrophobicContact CE1-CG 3.96Å; F444-Y500 HydrophobicContact CG-CE2 4.03Å
445L80.6Confident72.5Confident16 Ų1685.7 Ų85.78%0.08443%0.432CS..Hα-helixtrans-60.7-42.4172.2-177.458.7000111D442 N447 L448 E449 M497 Y500 R501D442-L445 HydrophobicContact CB-CB 4.02Å; D442-L445 PolarHBondContact OD1-N 3.3Å; L445-N447 VanDerWaalsContact C-N 3.29Å; L445-N447 PolarHBondContact O-N 3.39Å; L445-L448 PolarHBondContact O-N 3.37Å; L445-L448 VanDerWaalsContact O-N 3.15Å; L445-E449 HydrophobicContact CD1-CG 4.17Å; L445-E449 HydrophobicContact CG-CG 4.43Å; L445-E449 WeakPolarHBondContact O-CG 3.45Å; L445-E449 PolarHBondContact O-N 2.84Å; L445-M497 HydrophobicContact CD1-CG 3.99Å; L445-Y500 HydrophobicContact CB-CD1 4.1Å; L445-Y500 HydrophobicContact CB-CE1 4.06Å; L445-Y500 HydrophobicContact CD1-CD1 4.38Å; L445-R501 HydrophobicContact CD1-CG 4.28Å
446R77.9Confident74.1Confident121 Ų12185.7 Ų85.746%0.45742%0.42SS..Hα-helixtrans-58.5-38.4175.2-167.6-175.873.9-177.94112.5N440 D442 F444 S450N440-R446 PolarHBondContact OD1-NH1 3.07Å; D442-R446 WeakPolarHBondContact O-CB 3.37Å; D442-R446 PolarHBondContact O-N 3.35Å; F444-R446 VanDerWaalsContact C-N 3.31Å; F444-R446 PolarHBondContact O-N 2.93Å; R446-S450 VanDerWaalsContact O-CB 3.3Å; R446-S450 WeakPolarHBondContact O-CB 3.3Å; R446-S450 PolarHBondContact O-N 3.42Å
447N83.6Confident75.5Confident90 Ų9083.5 Ų83.548%0.48141%0.405SS..Hα-helixtrans-65.9-43.8175.5-173.9-87.7000111.9P443 F444 L445 S450 R451P443-N447 PolarHBondContact O-N 3.32Å; P443-N447 VanDerWaalsContact O-N 3.15Å; F444-N447 WeakPolarHBondContact O-CB 3.32Å; F444-N447 PolarHBondContact O-N 3.29Å; L445-N447 VanDerWaalsContact C-N 3.29Å; L445-N447 PolarHBondContact O-N 3.39Å; N447-S450 PolarHBondContact O-N 3.08Å; N447-R451 WeakPolarHBondContact O-CB 3.49Å; N447-R451 WeakPolarHBondContact O-CG 3.25Å; N447-R451 PolarHBondContact O-N 2.71Å; N447-R451 WeakPolarHBondContact OD1-CD 3.34Å
448L84.5Confident77Confident3 Ų381.8 Ų81.82%0.01640%0.4CS..Hα-helixtrans-65-42.6177.3-68.7176.5000112.3F444 L445 R451 F452 E496 M497F444-L448 HydrophobicContact CD1-CD1 3.95Å; F444-L448 HydrophobicContact CD1-CG 4.5Å; F444-L448 HydrophobicContact CE1-CD1 3.61Å; F444-L448 HydrophobicContact CE1-CG 4.29Å; F444-L448 HydrophobicContact CZ-CD1 4.47Å; F444-L448 PolarHBondContact O-N 3.43Å; F444-L448 VanDerWaalsContact O-N 3.11Å; L445-L448 PolarHBondContact O-N 3.37Å; L445-L448 VanDerWaalsContact O-N 3.15Å; L448-R451 PolarHBondContact O-N 3.25Å; L448-F452 WeakPolarHBondContact O-CB 3.41Å; L448-F452 PolarHBondContact O-N 2.7Å; L448-E496 HydrophobicContact CD2-CB 4.1Å; L448-M497 HydrophobicContact CB-CB 4.31Å
449E82.6Confident78.7Confident30 Ų3076.7 Ų76.714%0.1437%0.367CS..Hα-helixtrans-67.3-35.8177.6-69.7-174.2135.800112.2L445 F452 A453 M497 R501L445-E449 HydrophobicContact CD1-CG 4.17Å; L445-E449 HydrophobicContact CG-CG 4.43Å; L445-E449 WeakPolarHBondContact O-CG 3.45Å; L445-E449 PolarHBondContact O-N 2.84Å; E449-F452 PolarHBondContact O-N 2.93Å; E449-A453 WeakPolarHBondContact O-CB 3.26Å; E449-A453 PolarHBondContact O-N 3.45Å; E449-M497 HydrophobicContact CG-CG 4.42Å; E449-M497 HydrophobicContact CG-SD 3.76Å; E449-R501 IonicContact OE1-CZ 3.43Å; E449-R501 IonicContact OE1-NH1 3.14Å; E449-R501 PolarHBondContact OE1-NH1 2.72Å; E449-R501 IonicContact OE1-NH2 2.62Å; E449-R501 PolarHBondContact OE1-NH2 2.88Å
450S81.6Confident80.3Confident59 Ų5972.7 Ų72.741%0.41336%0.355SS..Hα-helixtrans-66.3-46.8171.1-177.70000112.4R446 N447 F452 A453 L454R446-S450 VanDerWaalsContact O-CB 3.3Å; R446-S450 WeakPolarHBondContact O-CB 3.3Å; R446-S450 PolarHBondContact O-N 3.42Å; N447-S450 PolarHBondContact O-N 3.08Å; S450-F452 VanDerWaalsContact C-N 3.29Å; S450-F452 PolarHBondContact O-N 3.45Å; S450-A453 PolarHBondContact O-N 3.3Å; S450-L454 WeakPolarHBondContact O-CB 3.34Å; S450-L454 PolarHBondContact O-N 3Å
451R85.4Confident81.6Confident93 Ų9368.7 Ų68.735%0.35134%0.339SS..Hα-helixtrans-56.9-41.9173.2-78.7174.161.4-148.6-7.9111.5N447 L448 Q455 I493 E496N447-R451 WeakPolarHBondContact O-CB 3.49Å; N447-R451 WeakPolarHBondContact O-CG 3.25Å; N447-R451 PolarHBondContact O-N 2.71Å; N447-R451 WeakPolarHBondContact OD1-CD 3.34Å; L448-R451 PolarHBondContact O-N 3.25Å; R451-Q455 VanDerWaalsContact O-CB 3.28Å; R451-Q455 WeakPolarHBondContact O-CB 3.43Å; R451-Q455 PolarHBondContact O-N 2.54Å; R451-I493 HydrophobicContact CB-CD1 4.36Å; R451-I493 HydrophobicContact CB-CG2 4.09Å; R451-E496 IonicContact CZ-OE2 3.85Å; R451-E496 VanDerWaalsContact CZ-OE2 3.25Å; R451-E496 IonicContact NH1-OE2 3.48Å; R451-E496 PolarHBondContact NH1-OE2 3.14Å; R451-E496 IonicContact NH2-OE1 2.67Å; R451-E496 IonicContact NH2-OE2 3.64Å; R451-E496 PolarHBondContact NH2-OE2 3.44Å
452F86.3Confident82.9Confident24 Ų2462 Ų6211%0.10531%0.311CS..Hα-helixtrans-65.4-46.9177.3-176.7-101.2000111.9L448 E449 S450 L454 Q455 R456 L490 I493 E494 R511 A512L448-F452 WeakPolarHBondContact O-CB 3.41Å; L448-F452 PolarHBondContact O-N 2.7Å; E449-F452 PolarHBondContact O-N 2.93Å; S450-F452 VanDerWaalsContact C-N 3.29Å; S450-F452 PolarHBondContact O-N 3.45Å; F452-L454 VanDerWaalsContact C-N 3.35Å; F452-L454 PolarHBondContact O-N 2.84Å; F452-Q455 PolarHBondContact O-N 2.92Å; F452-R456 WeakPolarHBondContact O-CB 3.25Å; F452-R456 PolarHBondContact O-N 2.89Å; F452-L490 HydrophobicContact CD2-CD1 3.52Å; F452-L490 HydrophobicContact CD2-CG 4.39Å; F452-L490 HydrophobicContact CE2-CD1 3.44Å; F452-L490 VanDerWaalsContact CE2-CD1 3.44Å; F452-L490 HydrophobicContact CE2-CG 3.9Å; F452-L490 HydrophobicContact CG-CD1 4.27Å; F452-L490 HydrophobicContact CZ-CD1 4.15Å; F452-I493 HydrophobicContact CB-CG2 3.86Å; F452-I493 HydrophobicContact CD2-CG2 4.4Å; F452-E494 HydrophobicContact CD2-CB 4.31Å; F452-E494 HydrophobicContact CE2-CB 3.87Å; F452-R511 HydrophobicContact CZ-CB 4.46Å; F452-A512 HydrophobicContact CE2-CB 4.37Å; F452-A512 HydrophobicContact CZ-CB 4.31Å
453A82.2Confident83.6Confident39 Ų3963.5 Ų63.532%0.32232%0.316SS..Hα-helixtrans-61.4-41177.800000112.5E449 S450 K457E449-A453 WeakPolarHBondContact O-CB 3.26Å; E449-A453 PolarHBondContact O-N 3.45Å; S450-A453 PolarHBondContact O-N 3.3Å; A453-K457 PolarHBondContact O-N 3.47Å
454L83.2Confident84.1Confident84 Ų8465.2 Ų65.244%0.4431%0.314SS..Hα-helixtrans-65.1-50.1173.9-179.461.1000111.6L433 S450 F452 R456 K457 I458L433-L454 HydrophobicContact CD1-CD1 4Å; L433-L454 HydrophobicContact CD2-CB 4.23Å; S450-L454 WeakPolarHBondContact O-CB 3.34Å; S450-L454 PolarHBondContact O-N 3Å; F452-L454 VanDerWaalsContact C-N 3.35Å; F452-L454 PolarHBondContact O-N 2.84Å; L454-R456 VanDerWaalsContact C-N 3.26Å; L454-R456 PolarHBondContact O-N 3.46Å; L454-K457 PolarHBondContact O-N 2.91Å; L454-K457 VanDerWaalsContact O-N 3.13Å; L454-I458 HydrophobicContact CD1-CD1 4.5Å; L454-I458 HydrophobicContact CG-CD1 4.14Å; L454-I458 WeakPolarHBondContact O-CG1 3.18Å; L454-I458 PolarHBondContact O-N 2.82Å
455Q88.1Confident84.2Confident24 Ų2463.5 Ų63.511%0.11231%0.31CS..Hα-helixtrans-63.5-32.3-179.2-173.361.321.200112.1R451 F452 I458 V459 A486 K489 L490 I493R451-Q455 VanDerWaalsContact O-CB 3.28Å; R451-Q455 WeakPolarHBondContact O-CB 3.43Å; R451-Q455 PolarHBondContact O-N 2.54Å; F452-Q455 PolarHBondContact O-N 2.92Å; Q455-I458 WeakPolarHBondContact O-CB 3.32Å; Q455-I458 PolarHBondContact O-N 3.46Å; Q455-V459 WeakPolarHBondContact O-CG2 3.21Å; Q455-V459 PolarHBondContact O-N 3.41Å; Q455-A486 PolarHBondContact NE2-O 3.33Å; Q455-K489 HydrophobicContact CG-CB 4.49Å; Q455-L490 HydrophobicContact CB-CD1 3.94Å; Q455-L490 HydrophobicContact CG-CB 3.93Å; Q455-L490 HydrophobicContact CG-CD1 3.95Å; Q455-I493 HydrophobicContact CB-CD1 3.88Å; Q455-I493 HydrophobicContact CG-CD1 4.03Å
456R85.6Confident84.3Confident164 Ų16463 Ų6362%0.61931%0.308SS*.Hα-helixtrans-62.4-44.9173.1-175.5-179174.3-148.9-2.4111.7F452 L454 I458 V459 E460 L490F452-R456 WeakPolarHBondContact O-CB 3.25Å; F452-R456 PolarHBondContact O-N 2.89Å; L454-R456 VanDerWaalsContact C-N 3.26Å; L454-R456 PolarHBondContact O-N 3.46Å; R456-I458 VanDerWaalsContact C-N 3.31Å; R456-I458 PolarHBondContact O-N 2.91Å; R456-V459 PolarHBondContact O-N 3.27Å; R456-E460 PolarHBondContact O-N 2.94Å; R456-L490 HydrophobicContact CB-CD1 4.11Å; R456-L490 HydrophobicContact CB-CD2 4.43Å
457K83.6Confident84.4Confident78 Ų7863 Ų6334%0.33932%0.317SS..Hα-helixtrans-63.3-35.9173.7-70.6-176.1177.6-178.80111.4K432 L433 D434 A453 L454 E460 A461K432-K457 PolarHBondContact O-NZ 3.4Å; L433-K457 HydrophobicContact CD1-CD 4.42Å; D434-K457 IonicContact OD2-NZ 2.72Å; A453-K457 PolarHBondContact O-N 3.47Å; L454-K457 PolarHBondContact O-N 2.91Å; L454-K457 VanDerWaalsContact O-N 3.13Å; K457-E460 PolarHBondContact O-N 3.37Å; K457-A461 WeakPolarHBondContact O-CB 3.34Å; K457-A461 PolarHBondContact O-N 2.87Å
458I85.6Confident84.4Confident75 Ų7562.3 Ų62.339%0.38531%0.311SS..Hα-helixtrans-65-43.4174.6-67.2168.9000111.7L454 Q455 R456 A461 A462 A486L454-I458 HydrophobicContact CD1-CD1 4.5Å; L454-I458 HydrophobicContact CG-CD1 4.14Å; L454-I458 WeakPolarHBondContact O-CG1 3.18Å; L454-I458 PolarHBondContact O-N 2.82Å; Q455-I458 WeakPolarHBondContact O-CB 3.32Å; Q455-I458 PolarHBondContact O-N 3.46Å; R456-I458 VanDerWaalsContact C-N 3.31Å; R456-I458 PolarHBondContact O-N 2.91Å; I458-A461 PolarHBondContact O-N 3.44Å; I458-A462 WeakPolarHBondContact O-CB 3.32Å; I458-A462 PolarHBondContact O-N 3.27Å; I458-A486 HydrophobicContact CG2-CB 4.41Å
459V88.8Confident83.5Confident12 Ų1266.9 Ų66.97%0.07334%0.341CS..Hα-helixtrans-62.3-43.2174.6168.10000111.6Q455 R456 A461 A462 K463 A486 M487 L490Q455-V459 WeakPolarHBondContact O-CG2 3.21Å; Q455-V459 PolarHBondContact O-N 3.41Å; R456-V459 PolarHBondContact O-N 3.27Å; V459-A461 PolarHBondContact O-N 3.28Å; V459-A462 PolarHBondContact O-N 3.23Å; V459-K463 HydrophobicContact CG1-CD 4.26Å; V459-K463 PolarHBondContact O-N 3.21Å; V459-A486 VanDerWaalsContact CG2-C 3.43Å; V459-A486 HydrophobicContact CG2-CB 3.86Å; V459-A486 VanDerWaalsContact CG2-O 3.23Å; V459-A486 WeakPolarHBondContact CG2-O 3.48Å; V459-M487 HydrophobicContact CG1-CG 3.64Å; V459-M487 HydrophobicContact CG2-CG 4.17Å; V459-L490 HydrophobicContact CB-CD2 4.38Å; V459-L490 HydrophobicContact CG2-CB 4.02Å; V459-L490 HydrophobicContact CG2-CD2 4.04Å
460E85.8Confident82.6Confident98 Ų9874.3 Ų74.346%0.45838%0.376SS..Hα-helixtrans-62.3-43.2177.8-164.2-166.6141.800111.8R456 K457 K463 K464R456-E460 PolarHBondContact O-N 2.94Å; K457-E460 PolarHBondContact O-N 3.37Å; E460-K463 PolarHBondContact O-N 3.12Å; E460-K464 WeakPolarHBondContact O-CG 3.49Å; E460-K464 PolarHBondContact O-N 2.9Å; E460-K464 VanDerWaalsContact O-N 3.09Å; E460-K464 WeakPolarHBondContact OE1-CE 3Å; E460-K464 IonicContact OE1-NZ 2.67Å; E460-K464 PolarHBondContact OE1-NZ 2.99Å
461A83.3Confident82Confident46 Ų4673.2 Ų73.238%0.3837%0.365SS..Hα-helixtrans-63.9-42.2173.700000112.1K457 I458 V459 K464 L465K457-A461 WeakPolarHBondContact O-CB 3.34Å; K457-A461 PolarHBondContact O-N 2.87Å; I458-A461 PolarHBondContact O-N 3.44Å; V459-A461 PolarHBondContact O-N 3.28Å; A461-K464 PolarHBondContact O-N 3.34Å; A461-L465 WeakPolarHBondContact O-CB 3.47Å; A461-L465 VanDerWaalsContact O-CG 3.3Å; A461-L465 WeakPolarHBondContact O-CG 3.34Å; A461-L465 PolarHBondContact O-N 2.96Å
462A85.6Confident81.5Confident15 Ų1572.8 Ų72.812%0.12438%0.375CS..Hα-helixtrans-64.7-39.2177.800000112.6I458 V459 L465 A466 C483 A486I458-A462 WeakPolarHBondContact O-CB 3.32Å; I458-A462 PolarHBondContact O-N 3.27Å; V459-A462 PolarHBondContact O-N 3.23Å; A462-L465 PolarHBondContact O-N 3.33Å; A462-A466 WeakPolarHBondContact O-CB 3.47Å; A462-A466 PolarHBondContact O-N 3.33Å; A462-C483 HydrophobicContact CB-CB 4.18Å; A462-A486 HydrophobicContact CB-CB 4.35Å
463K86.1Confident81Confident56 Ų5680.7 Ų80.724%0.24341%0.41CS..Hα-helixtrans-62.1-44.6172.7-79.6178.2173.1-87.50111.9V459 E460 A466 N467 C483 E519V459-K463 HydrophobicContact CG1-CD 4.26Å; V459-K463 PolarHBondContact O-N 3.21Å; E460-K463 PolarHBondContact O-N 3.12Å; K463-A466 PolarHBondContact O-N 2.98Å; K463-N467 WeakPolarHBondContact O-CB 3.33Å; K463-N467 PolarHBondContact O-N 2.89Å; K463-C483 WeakPolarHBondContact CG-SG 3.48Å; K463-E519 IonicContact NZ-OE1 3.69Å; K463-E519 PolarHBondContact NZ-OE1 3.33Å; K463-E519 IonicContact NZ-OE2 3.6Å; K463-E519 PolarHBondContact NZ-OE2 3.41Å
464K85.8Confident80.8Confident127 Ų12783.8 Ų83.855%0.55243%0.425SS*.Hα-helixtrans-60.7-49.1175-70.5171.9-172.6173.70111.2E460 A461 A466 N467 E468E460-K464 WeakPolarHBondContact O-CG 3.49Å; E460-K464 PolarHBondContact O-N 2.9Å; E460-K464 VanDerWaalsContact O-N 3.09Å; E460-K464 WeakPolarHBondContact OE1-CE 3Å; E460-K464 IonicContact OE1-NZ 2.67Å; E460-K464 PolarHBondContact OE1-NZ 2.99Å; A461-K464 PolarHBondContact O-N 3.34Å; K464-A466 VanDerWaalsContact C-N 3.3Å; K464-A466 PolarHBondContact O-N 3.34Å; K464-N467 PolarHBondContact O-N 3.08Å; K464-N467 VanDerWaalsContact O-N 3.11Å; K464-E468 PolarHBondContact O-N 3.17Å
465L81.4Confident80.7Confident79 Ų7982.7 Ų82.741%0.41442%0.421SS..Hα-helixtrans-61-33.4176.5-71.5168.3000113.2A461 A462 N467 R479A461-L465 WeakPolarHBondContact O-CB 3.47Å; A461-L465 VanDerWaalsContact O-CG 3.3Å; A461-L465 WeakPolarHBondContact O-CG 3.34Å; A461-L465 PolarHBondContact O-N 2.96Å; A462-L465 PolarHBondContact O-N 3.33Å; L465-N467 VanDerWaalsContact C-N 3.3Å; L465-R479 WeakPolarHBondContact O-CD 3.37Å; L465-R479 PolarHBondContact O-NH1 2.88Å
466A83.7Confident80.4Confident5 Ų585.1 Ų85.14%0.04143%0.431CS..Hα-helixtrans-74.3-19.8177.600000113.7A462 K463 K464 R479 R480 C483A462-A466 WeakPolarHBondContact O-CB 3.47Å; A462-A466 PolarHBondContact O-N 3.33Å; K463-A466 PolarHBondContact O-N 2.98Å; K464-A466 VanDerWaalsContact C-N 3.3Å; K464-A466 PolarHBondContact O-N 3.34Å; A466-R479 HydrophobicContact CB-CB 4.5Å; A466-R480 HydrophobicContact CB-CG 4.33Å; A466-C483 HydrophobicContact CB-CB 4.34Å
467N80.6Confident80.3Confident121 Ų12184.4 Ų84.465%0.64743%0.433SS*.THydrogen-bonded Turntrans-106.44.5-175.4-71.7-15.6000114.2K463 K464 L465K463-N467 WeakPolarHBondContact O-CB 3.33Å; K463-N467 PolarHBondContact O-N 2.89Å; K464-N467 PolarHBondContact O-N 3.08Å; K464-N467 VanDerWaalsContact O-N 3.11Å; L465-N467 VanDerWaalsContact C-N 3.3Å
468E82.4Confident80.5Confident76 Ų7687.2 Ų87.236%0.35545%0.445SS..  trans-58.4135.3172-75.9176.3-168.900111.6K464 L471 R479K464-E468 PolarHBondContact O-N 3.17Å; E468-L471 HydrophobicContact CB-CD1 3.96Å; E468-L471 HydrophobicContact CB-CG 4.17Å; E468-R479 IonicContact OE1-NH1 2.67Å; E468-R479 IonicContact OE2-CZ 2.9Å; E468-R479 IonicContact OE2-NH1 2.7Å; E468-R479 PolarHBondContact OE2-NH1 3.31Å; E468-R479 IonicContact OE2-NH2 3.96Å; E468-R479 PolarHBondContact OE2-NH2 2.9Å
469P66.6Low80.6Confident100 Ų10086.7 Ų86.765%0.64944%0.438SS*.SBendtrans-67.8170.8160.731.9-33.7000110.5
470E63.9Low80.4Confident185 Ų18593.1 Ų93.186%0.86446%0.461SS*.SBendtrans57.148.7-178.3-50.2-40.2115.300115.5
471L68.6Low80.5Confident37 Ų3795.5 Ų95.519%0.19447%0.466CS..  trans-121.2126.3173.3-66.5-179000113E468 V475 K476E468-L471 HydrophobicContact CB-CD1 3.96Å; E468-L471 HydrophobicContact CB-CG 4.17Å; L471-V475 HydrophobicContact CD2-CG1 4.19Å; L471-K476 HydrophobicContact CB-CB 4.26Å
472C74.1Confident80.8Confident84 Ų8497.4 Ų97.457%0.56847%0.47SS*.  trans-55.2143.3170.2177.80000112T474 V475 K476C472-T474 PolarHBondContact O-N 3.03Å; C472-T474 VanDerWaalsContact O-N 3.1Å; C472-V475 HydrophobicContact CB-CG2 4.38Å; C472-V475 PolarHBondContact O-N 3.41Å; C472-K476 PolarHBondContact O-N 3.28Å
473K76.8Confident80.9Confident190 Ų19097 Ų9783%0.82647%0.466SS*.Hα-helixtrans-49.3-41.2-173.8-63.7176.9-178.5173.60113K477K473-K477 WeakPolarHBondContact O-CB 3.27Å; K473-K477 PolarHBondContact O-N 2.68Å
474T77Confident81Confident104 Ų10497.9 Ų97.964%0.63847%0.473SS*.Hα-helixtrans-68-44.9178.853.80000112.6C472 K477 K478C472-T474 PolarHBondContact O-N 3.03Å; C472-T474 VanDerWaalsContact O-N 3.1Å; T474-K477 PolarHBondContact O-N 3.35Å; T474-K478 PolarHBondContact O-N 3.04Å
475V80.8Confident81.1Confident60 Ų6095.5 Ų95.536%0.36447%0.467SS..Hα-helixtrans-64.1-43.9176.5-178.50000110.2L471 C472 K477 K478 R479L471-V475 HydrophobicContact CD2-CG1 4.19Å; C472-V475 HydrophobicContact CB-CG2 4.38Å; C472-V475 PolarHBondContact O-N 3.41Å; V475-K477 PolarHBondContact O-N 2.97Å; V475-K478 PolarHBondContact O-N 3.04Å; V475-R479 HydrophobicContact CG1-CG 4.27Å; V475-R479 WeakPolarHBondContact O-CG 3.39Å; V475-R479 PolarHBondContact O-N 2.8Å
476K81.6Confident81.5Confident75 Ų7592.2 Ų92.233%0.32645%0.45SS..Hα-helixtrans-61.5-41.4177.2-161.4161.8-172.2158.30111.8L471 C472 R480L471-K476 HydrophobicContact CB-CB 4.26Å; C472-K476 PolarHBondContact O-N 3.28Å; K476-R480 WeakPolarHBondContact O-CB 3.42Å; K476-R480 WeakPolarHBondContact O-CG 3.49Å; K476-R480 PolarHBondContact O-N 3.23Å
477K83.8Confident81.7Confident149 Ų14992.6 Ų92.665%0.64845%0.452SS*.Hα-helixtrans-63-42.6172.8-168.6170.6-175.2172.60112.3K473 T474 V475 R481K473-K477 WeakPolarHBondContact O-CB 3.27Å; K473-K477 PolarHBondContact O-N 2.68Å; T474-K477 PolarHBondContact O-N 3.35Å; V475-K477 PolarHBondContact O-N 2.97Å; K477-R481 PolarHBondContact O-N 3.36Å
478K88.3Confident82Confident138 Ų13893.4 Ų93.460%0.645%0.451SS*.Hα-helixtrans-65.4-46.6176.8-172.2172.6-177.8175.30112.3T474 V475 R480 R481 N482T474-K478 PolarHBondContact O-N 3.04Å; V475-K478 PolarHBondContact O-N 3.04Å; K478-R480 PolarHBondContact O-N 2.93Å; K478-R481 PolarHBondContact O-N 2.91Å; K478-N482 PolarHBondContact O-N 2.85Å; K478-N482 PolarHBondContact O-OD1 3.01Å; K478-N482 VanDerWaalsContact O-OD1 3.1Å
479R87.2Confident82.4Confident63 Ų6395.5 Ų95.524%0.23846%0.459CS..Hα-helixtrans-64.8-37.6179.4-67.9-170.9-174.9-166.94.7112.7L465 A466 E468 V475 N482 C483L465-R479 WeakPolarHBondContact O-CD 3.37Å; L465-R479 PolarHBondContact O-NH1 2.88Å; A466-R479 HydrophobicContact CB-CB 4.5Å; E468-R479 IonicContact OE1-NH1 2.67Å; E468-R479 IonicContact OE2-CZ 2.9Å; E468-R479 IonicContact OE2-NH1 2.7Å; E468-R479 PolarHBondContact OE2-NH1 3.31Å; E468-R479 IonicContact OE2-NH2 3.96Å; E468-R479 PolarHBondContact OE2-NH2 2.9Å; V475-R479 HydrophobicContact CG1-CG 4.27Å; V475-R479 WeakPolarHBondContact O-CG 3.39Å; V475-R479 PolarHBondContact O-N 2.8Å; R479-N482 PolarHBondContact O-N 3.36Å; R479-C483 PolarHBondContact O-N 3.07Å
480R85.4Confident83.4Confident147 Ų14791.6 Ų91.656%0.55543%0.433SS*.Hα-helixtrans-60.6-43.1171.5-78.6-178.6171.5-166.8-5.3112.5A466 K476 K478 C483 L484A466-R480 HydrophobicContact CB-CG 4.33Å; K476-R480 WeakPolarHBondContact O-CB 3.42Å; K476-R480 WeakPolarHBondContact O-CG 3.49Å; K476-R480 PolarHBondContact O-N 3.23Å; K478-R480 PolarHBondContact O-N 2.93Å; R480-C483 WeakPolarHBondContact O-CB 3.25Å; R480-C483 PolarHBondContact O-N 3.44Å; R480-L484 PolarHBondContact O-N 2.95Å; R480-L484 VanDerWaalsContact O-N 3.17Å
481R88.4Confident84.5Confident149 Ų14984.5 Ų84.556%0.56240%0.4SS*.Hα-helixtrans-61.2-51.5174.1-171.2-177.2-67.7140.7-6.5111.6K477 K478 C483 L484 D485K477-R481 PolarHBondContact O-N 3.36Å; K478-R481 PolarHBondContact O-N 2.91Å; R481-C483 PolarHBondContact O-N 3.4Å; R481-C483 VanDerWaalsContact O-N 3.08Å; R481-L484 WeakPolarHBondContact O-CB 3.43Å; R481-L484 PolarHBondContact O-N 3.26Å; R481-D485 PolarHBondContact O-N 2.95Å
482N87.9Confident85.5Confident85 Ų8587.1 Ų87.146%0.45541%0.411SS..Hα-helixtrans-54.4-32.6177-69.120.8000113K478 R479 A486K478-N482 PolarHBondContact O-N 2.85Å; K478-N482 PolarHBondContact O-OD1 3.01Å; K478-N482 VanDerWaalsContact O-OD1 3.1Å; R479-N482 PolarHBondContact O-N 3.36Å; N482-A486 WeakPolarHBondContact O-CB 3.41Å; N482-A486 PolarHBondContact O-N 2.86Å
483C88.8Confident86.1Confident8 Ų883.8 Ų83.85%0.05439%0.387CS..Hα-helixtrans-68.9-44.6175.1-173.40000112.5A462 K463 A466 R479 R480 R481 A486 M487A462-C483 HydrophobicContact CB-CB 4.18Å; K463-C483 WeakPolarHBondContact CG-SG 3.48Å; A466-C483 HydrophobicContact CB-CB 4.34Å; R479-C483 PolarHBondContact O-N 3.07Å; R480-C483 WeakPolarHBondContact O-CB 3.25Å; R480-C483 PolarHBondContact O-N 3.44Å; R481-C483 PolarHBondContact O-N 3.4Å; R481-C483 VanDerWaalsContact O-N 3.08Å; C483-A486 PolarHBondContact O-N 3.27Å; C483-M487 WeakPolarHBondContact O-CG 3.18Å; C483-M487 PolarHBondContact O-N 3.44Å
484L88.3Confident86.5Confident73 Ų7374.8 Ų74.838%0.38235%0.348SS..Hα-helixtrans-63.3-44.3174.3-65.4169.9000111.1R480 R481 A486 M487 H488R480-L484 PolarHBondContact O-N 2.95Å; R480-L484 VanDerWaalsContact O-N 3.17Å; R481-L484 WeakPolarHBondContact O-CB 3.43Å; R481-L484 PolarHBondContact O-N 3.26Å; L484-A486 VanDerWaalsContact C-N 3.27Å; L484-A486 PolarHBondContact O-N 3.33Å; L484-M487 PolarHBondContact O-N 3.44Å; L484-M487 VanDerWaalsContact O-N 3.12Å; L484-H488 PolarHBondContact O-N 3.13Å
485D88.5Confident86.9Confident78 Ų7873.3 Ų73.342%0.41734%0.336SS..Hα-helixtrans-59.9-38.5176.8-55.4-27.4000111.5R481 K489R481-D485 PolarHBondContact O-N 2.95Å; D485-K489 WeakPolarHBondContact O-CG 3.33Å; D485-K489 PolarHBondContact O-N 3.01Å
486A88.6Confident87.3Confident9 Ų973 Ų737%0.07433%0.331CS..Hα-helixtrans-69.6-37.9175.500000112.4Q455 I458 V459 A462 N482 C483 L484 K489 L490Q455-A486 PolarHBondContact NE2-O 3.33Å; I458-A486 HydrophobicContact CG2-CB 4.41Å; V459-A486 VanDerWaalsContact CG2-C 3.43Å; V459-A486 HydrophobicContact CG2-CB 3.86Å; V459-A486 VanDerWaalsContact CG2-O 3.23Å; V459-A486 WeakPolarHBondContact CG2-O 3.48Å; A462-A486 HydrophobicContact CB-CB 4.35Å; N482-A486 WeakPolarHBondContact O-CB 3.41Å; N482-A486 PolarHBondContact O-N 2.86Å; C483-A486 PolarHBondContact O-N 3.27Å; L484-A486 VanDerWaalsContact C-N 3.27Å; L484-A486 PolarHBondContact O-N 3.33Å; A486-K489 PolarHBondContact O-N 3.3Å; A486-L490 PolarHBondContact O-N 2.68Å
487M87.6Confident87.5Confident14 Ų1469.6 Ų69.67%0.06932%0.316CS..Hα-helixtrans-67.5-42.8176.2-74.3172.459.900112V459 C483 L484 K489 L490 Q491 I516 E519V459-M487 HydrophobicContact CG1-CG 3.64Å; V459-M487 HydrophobicContact CG2-CG 4.17Å; C483-M487 WeakPolarHBondContact O-CG 3.18Å; C483-M487 PolarHBondContact O-N 3.44Å; L484-M487 PolarHBondContact O-N 3.44Å; L484-M487 VanDerWaalsContact O-N 3.12Å; M487-K489 VanDerWaalsContact C-N 3.3Å; M487-K489 PolarHBondContact O-N 3.17Å; M487-L490 WeakPolarHBondContact O-CB 3.37Å; M487-L490 PolarHBondContact O-N 3.01Å; M487-Q491 PolarHBondContact O-N 2.97Å; M487-I516 HydrophobicContact CE-CG1 4.03Å; M487-I516 HydrophobicContact CE-CG2 4.39Å; M487-E519 WeakPolarHBondContact CE-OE2 3.36Å
488H88.1Confident87.5Confident137 Ų13763.5 Ų63.563%0.63429%0.29SS*.Hα-helixtrans-59.5-41.8174.7-170.7-68000111.5L484 L490 Q491 Q492L484-H488 PolarHBondContact O-N 3.13Å; H488-L490 VanDerWaalsContact C-N 3.3Å; H488-L490 PolarHBondContact O-N 3.17Å; H488-Q491 PolarHBondContact O-N 3.02Å; H488-Q492 PolarHBondContact O-N 2.82Å
489K89.3Confident87.4Confident121 Ų12162.2 Ų62.253%0.52629%0.287SS..Hα-helixtrans-67.1-27.5174.3-74178.3179.5-176.60113.6Q455 D485 A486 M487 I493Q455-K489 HydrophobicContact CG-CB 4.49Å; D485-K489 WeakPolarHBondContact O-CG 3.33Å; D485-K489 PolarHBondContact O-N 3.01Å; A486-K489 PolarHBondContact O-N 3.3Å; M487-K489 VanDerWaalsContact C-N 3.3Å; M487-K489 PolarHBondContact O-N 3.17Å; K489-I493 WeakPolarHBondContact O-CD1 3.32Å; K489-I493 VanDerWaalsContact O-CG1 3.27Å; K489-I493 WeakPolarHBondContact O-CG1 3.41Å; K489-I493 PolarHBondContact O-N 3.36Å
490L89.1Confident87.3Confident17 Ų1761.5 Ų61.59%0.08928%0.284CS..Hα-helixtrans-70.2-43.1172.6-174.761.8000111.2F452 Q455 R456 V459 A486 M487 H488 I493 E494F452-L490 HydrophobicContact CD2-CD1 3.52Å; F452-L490 HydrophobicContact CD2-CG 4.39Å; F452-L490 HydrophobicContact CE2-CD1 3.44Å; F452-L490 VanDerWaalsContact CE2-CD1 3.44Å; F452-L490 HydrophobicContact CE2-CG 3.9Å; F452-L490 HydrophobicContact CG-CD1 4.27Å; F452-L490 HydrophobicContact CZ-CD1 4.15Å; Q455-L490 HydrophobicContact CB-CD1 3.94Å; Q455-L490 HydrophobicContact CG-CB 3.93Å; Q455-L490 HydrophobicContact CG-CD1 3.95Å; R456-L490 HydrophobicContact CB-CD1 4.11Å; R456-L490 HydrophobicContact CB-CD2 4.43Å; V459-L490 HydrophobicContact CB-CD2 4.38Å; V459-L490 HydrophobicContact CG2-CB 4.02Å; V459-L490 HydrophobicContact CG2-CD2 4.04Å; A486-L490 PolarHBondContact O-N 2.68Å; M487-L490 WeakPolarHBondContact O-CB 3.37Å; M487-L490 PolarHBondContact O-N 3.01Å; H488-L490 VanDerWaalsContact C-N 3.3Å; H488-L490 PolarHBondContact O-N 3.17Å; L490-I493 PolarHBondContact O-N 3.34Å; L490-E494 PolarHBondContact O-N 3.15Å
491Q86.1Confident87.1Confident37 Ų3756.2 Ų56.217%0.17326%0.264CS..Hα-helixtrans-63.2-46.2176.2-167.659.956.600111.3M487 H488 I493 E494 D495 I516M487-Q491 PolarHBondContact O-N 2.97Å; H488-Q491 PolarHBondContact O-N 3.02Å; Q491-I493 PolarHBondContact O-N 2.87Å; Q491-E494 PolarHBondContact NE2-OE2 3.08Å; Q491-E494 CarbonylContact O-C 3.58Å; Q491-E494 WeakPolarHBondContact O-CA 3.35Å; Q491-E494 WeakPolarHBondContact O-CB 3.4Å; Q491-E494 PolarHBondContact O-N 3.33Å; Q491-D495 PolarHBondContact NE2-OD1 3.25Å; Q491-D495 PolarHBondContact O-N 3.21Å; Q491-I516 HydrophobicContact CB-CD1 4.24Å
492Q89.4Confident86.8Confident92 Ų9254.1 Ų54.143%0.4326%0.263SS..Hα-helixtrans-54.3-40.2176.8-172.9-169.2-32.100112.5H488 D495 E496H488-Q492 PolarHBondContact O-N 2.82Å; Q492-D495 PolarHBondContact O-N 3.48Å; Q492-E496 PolarHBondContact NE2-OE1 3.05Å; Q492-E496 WeakPolarHBondContact O-CB 3.2Å; Q492-E496 WeakPolarHBondContact O-CG 3.38Å; Q492-E496 PolarHBondContact O-N 2.87Å
493I87.3Confident86.6Confident13 Ų1358 Ų587%0.06728%0.276CS..Hα-helixtrans-74.1-33.2178.4-61.2165.7000111.4R451 F452 Q455 K489 L490 Q491 D495 M497R451-I493 HydrophobicContact CB-CD1 4.36Å; R451-I493 HydrophobicContact CB-CG2 4.09Å; F452-I493 HydrophobicContact CB-CG2 3.86Å; F452-I493 HydrophobicContact CD2-CG2 4.4Å; Q455-I493 HydrophobicContact CB-CD1 3.88Å; Q455-I493 HydrophobicContact CG-CD1 4.03Å; K489-I493 WeakPolarHBondContact O-CD1 3.32Å; K489-I493 VanDerWaalsContact O-CG1 3.27Å; K489-I493 WeakPolarHBondContact O-CG1 3.41Å; K489-I493 PolarHBondContact O-N 3.36Å; L490-I493 PolarHBondContact O-N 3.34Å; Q491-I493 PolarHBondContact O-N 2.87Å; I493-D495 VanDerWaalsContact C-N 3.32Å; I493-M497 VanDerWaalsContact O-CB 3.24Å; I493-M497 WeakPolarHBondContact O-CB 3.43Å; I493-M497 PolarHBondContact O-N 3.22Å
494E85.4Confident86.1Confident2 Ų262.7 Ų62.71%0.00930%0.295CS..Hα-helixtrans-61.9-41.3169.3179.9168.2-112.400111.4F452 L490 Q491 M497 N498 R511 A512 S513F452-E494 HydrophobicContact CD2-CB 4.31Å; F452-E494 HydrophobicContact CE2-CB 3.87Å; L490-E494 PolarHBondContact O-N 3.15Å; Q491-E494 PolarHBondContact NE2-OE2 3.08Å; Q491-E494 CarbonylContact O-C 3.58Å; Q491-E494 WeakPolarHBondContact O-CA 3.35Å; Q491-E494 WeakPolarHBondContact O-CB 3.4Å; Q491-E494 PolarHBondContact O-N 3.33Å; E494-M497 HydrophobicContact CG-CE 4.22Å; E494-M497 PolarHBondContact O-N 3.07Å; E494-N498 WeakPolarHBondContact CG-ND2 3.35Å; E494-N498 VanDerWaalsContact O-CB 3.27Å; E494-N498 WeakPolarHBondContact O-CB 3.4Å; E494-N498 VanDerWaalsContact O-CG 3.25Å; E494-N498 PolarHBondContact O-N 2.82Å; E494-N498 PolarHBondContact O-ND2 2.83Å; E494-R511 WeakPolarHBondContact OE1-CA 3.5Å; E494-R511 PolarHBondContact OE1-N 2.81Å; E494-A512 PolarHBondContact OE1-N 3.22Å; E494-A512 WeakPolarHBondContact OE2-CB 3.46Å; E494-A512 PolarHBondContact OE2-N 2.8Å; E494-S513 PolarHBondContact OE2-N 3.49Å
495D86.3Confident85.3Confident72 Ų7262.7 Ų62.739%0.38531%0.313SS..Hα-helixtrans-71.5-42.1-179.7-57.6-22000111.4Q491 Q492 I493 M497 N498 Q499Q491-D495 PolarHBondContact NE2-OD1 3.25Å; Q491-D495 PolarHBondContact O-N 3.21Å; Q492-D495 PolarHBondContact O-N 3.48Å; I493-D495 VanDerWaalsContact C-N 3.32Å; D495-M497 VanDerWaalsContact C-N 3.35Å; D495-M497 PolarHBondContact O-N 2.7Å; D495-N498 PolarHBondContact O-N 2.97Å; D495-Q499 WeakPolarHBondContact O-CB 3.48Å; D495-Q499 VanDerWaalsContact O-CG 3.28Å; D495-Q499 WeakPolarHBondContact O-CG 3.36Å; D495-Q499 PolarHBondContact O-N 2.94Å
496E88.8Confident84.5Confident55 Ų5564.1 Ų64.126%0.25732%0.316SS..Hα-helixtrans-55.6-47.4169.9-77.8171.3-149.500111.1L448 R451 Q492 Y500L448-E496 HydrophobicContact CD2-CB 4.1Å; R451-E496 IonicContact CZ-OE2 3.85Å; R451-E496 VanDerWaalsContact CZ-OE2 3.25Å; R451-E496 IonicContact NH1-OE2 3.48Å; R451-E496 PolarHBondContact NH1-OE2 3.14Å; R451-E496 IonicContact NH2-OE1 2.67Å; R451-E496 IonicContact NH2-OE2 3.64Å; R451-E496 PolarHBondContact NH2-OE2 3.44Å; Q492-E496 PolarHBondContact NE2-OE1 3.05Å; Q492-E496 WeakPolarHBondContact O-CB 3.2Å; Q492-E496 WeakPolarHBondContact O-CG 3.38Å; Q492-E496 PolarHBondContact O-N 2.87Å; E496-Y500 PolarHBondContact O-N 3.05Å; E496-Y500 VanDerWaalsContact O-N 3.1Å
497M85.1Confident83.6Confident3 Ų372.6 Ų72.62%0.01535%0.351CS..Hα-helixtrans-63.8-43.1177.5179.3-171.460.100112.3L445 L448 E449 I493 E494 D495 Y500 R501 T509L445-M497 HydrophobicContact CD1-CG 3.99Å; L448-M497 HydrophobicContact CB-CB 4.31Å; E449-M497 HydrophobicContact CG-CG 4.42Å; E449-M497 HydrophobicContact CG-SD 3.76Å; I493-M497 VanDerWaalsContact O-CB 3.24Å; I493-M497 WeakPolarHBondContact O-CB 3.43Å; I493-M497 PolarHBondContact O-N 3.22Å; E494-M497 HydrophobicContact CG-CE 4.22Å; E494-M497 PolarHBondContact O-N 3.07Å; D495-M497 VanDerWaalsContact C-N 3.35Å; D495-M497 PolarHBondContact O-N 2.7Å; M497-Y500 PolarHBondContact O-N 2.67Å; M497-R501 PolarHBondContact O-N 3.45Å; M497-R501 PolarHBondContact SD-NH1 3.36Å; M497-T509 VanDerWaalsContact CE-OG1 3.28Å; M497-T509 WeakPolarHBondContact CE-OG1 3.35Å
498N84.6Confident82.9Confident20 Ų2075.4 Ų75.411%0.10737%0.37CS..Hα-helixtrans-72.8-38.7-178.4-77-26.8000112.1E494 D495 Y500 R501 I502 P508 T509E494-N498 WeakPolarHBondContact CG-ND2 3.35Å; E494-N498 VanDerWaalsContact O-CB 3.27Å; E494-N498 WeakPolarHBondContact O-CB 3.4Å; E494-N498 VanDerWaalsContact O-CG 3.25Å; E494-N498 PolarHBondContact O-N 2.82Å; E494-N498 PolarHBondContact O-ND2 2.83Å; D495-N498 PolarHBondContact O-N 2.97Å; N498-Y500 VanDerWaalsContact C-N 3.29Å; N498-Y500 PolarHBondContact O-N 3.48Å; N498-R501 PolarHBondContact O-N 3.28Å; N498-I502 WeakPolarHBondContact O-CB 3.28Å; N498-I502 WeakPolarHBondContact O-CD1 3.25Å; N498-I502 VanDerWaalsContact O-CG1 3.24Å; N498-I502 WeakPolarHBondContact O-CG1 3.47Å; N498-I502 PolarHBondContact O-N 3.41Å; N498-P508 HydrophobicContact CB-CB 4.1Å; N498-T509 PolarHBondContact ND2-O 3.19Å; N498-T509 PolarHBondContact OD1-N 2.91Å; N498-T509 PolarHBondContact OD1-O 3.34Å; N498-T509 PolarHBondContact OD1-OG1 2.95Å
499Q86.1Confident81.8Confident111 Ų11170.2 Ų70.252%0.51935%0.348SS..Hα-helixtrans-58.8-41169.4-74.1-179.634.400111.6D495 K503D495-Q499 WeakPolarHBondContact O-CB 3.48Å; D495-Q499 VanDerWaalsContact O-CG 3.28Å; D495-Q499 WeakPolarHBondContact O-CG 3.36Å; D495-Q499 PolarHBondContact O-N 2.94Å; Q499-K503 WeakPolarHBondContact O-CB 3.48Å; Q499-K503 VanDerWaalsContact O-CG 3.3Å; Q499-K503 WeakPolarHBondContact O-CG 3.15Å; Q499-K503 PolarHBondContact O-N 2.91Å
500Y83.9Confident80.3Confident48 Ų4871.9 Ų71.919%0.18836%0.358CS..Hα-helixtrans-68.1-42.1177.1-165.4-98.9000112.5D442 F444 L445 E496 M497 N498 I502 K503 K504D442-Y500 PolarHBondContact OD1-OH 3.02Å; D442-Y500 WeakPolarHBondContact OD2-CE1 3.34Å; D442-Y500 PolarHBondContact OD2-OH 3.45Å; F444-Y500 HydrophobicContact CB-CE1 4.43Å; F444-Y500 HydrophobicContact CB-CE2 4.41Å; F444-Y500 HydrophobicContact CD1-CD1 4.05Å; F444-Y500 AromaticContact CD1-CD2 3.39Å; F444-Y500 HydrophobicContact CD1-CD2 3.39Å; F444-Y500 AromaticContact CD1-CE1 3.95Å; F444-Y500 HydrophobicContact CD1-CE1 3.95Å; F444-Y500 AromaticContact CD1-CE2 3.26Å; F444-Y500 HydrophobicContact CD1-CE2 3.26Å; F444-Y500 AromaticContact CD1-CG 3.79Å; F444-Y500 HydrophobicContact CD1-CG 3.79Å; F444-Y500 AromaticContact CD1-CZ 3.56Å; F444-Y500 AromaticContact CE1-CD2 3.41Å; F444-Y500 HydrophobicContact CE1-CD2 3.41Å; F444-Y500 VanDerWaalsContact CE1-CD2 3.41Å; F444-Y500 AromaticContact CE1-CE2 3.67Å; F444-Y500 HydrophobicContact CE1-CE2 3.67Å; F444-Y500 AromaticContact CE1-CG 3.96Å; F444-Y500 HydrophobicContact CE1-CG 3.96Å; F444-Y500 HydrophobicContact CG-CE2 4.03Å; L445-Y500 HydrophobicContact CB-CD1 4.1Å; L445-Y500 HydrophobicContact CB-CE1 4.06Å; L445-Y500 HydrophobicContact CD1-CD1 4.38Å; E496-Y500 PolarHBondContact O-N 3.05Å; E496-Y500 VanDerWaalsContact O-N 3.1Å; M497-Y500 PolarHBondContact O-N 2.67Å; N498-Y500 VanDerWaalsContact C-N 3.29Å; N498-Y500 PolarHBondContact O-N 3.48Å; Y500-I502 PolarHBondContact O-N 2.9Å; Y500-K503 PolarHBondContact O-N 3.2Å; Y500-K504 HydrophobicContact CE1-CD 4.04Å; Y500-K504 HydrophobicContact CE1-CG 4.17Å; Y500-K504 PolarHBondContact O-N 3.22Å; Y500-K504 WeakPolarHBondContact OH-CE 3.13Å; Y500-K504 PolarHBondContact OH-NZ 3.1Å
501R81.5Confident79.1Confident37 Ų3779 Ų7914%0.1438%0.384CS..Hα-helixtrans-57.1-48.2172.7-81.7-173150.299.416.4111.7L445 E449 M497 N498 K504 G505 K506 T509L445-R501 HydrophobicContact CD1-CG 4.28Å; E449-R501 IonicContact OE1-CZ 3.43Å; E449-R501 IonicContact OE1-NH1 3.14Å; E449-R501 PolarHBondContact OE1-NH1 2.72Å; E449-R501 IonicContact OE1-NH2 2.62Å; E449-R501 PolarHBondContact OE1-NH2 2.88Å; M497-R501 PolarHBondContact O-N 3.45Å; M497-R501 PolarHBondContact SD-NH1 3.36Å; N498-R501 PolarHBondContact O-N 3.28Å; R501-K504 CarbonylContact O-C 3.56Å; R501-K504 PolarHBondContact O-N 3.05Å; R501-K504 VanDerWaalsContact O-N 3.1Å; R501-G505 PolarHBondContact O-N 3.37Å; R501-K506 CarbonylContact C-O 3.58Å; R501-K506 VanDerWaalsContact C-O 3.26Å; R501-K506 HydrophobicContact CB-CB 4.32Å; R501-K506 PolarHBondContact O-N 2.98Å; R501-K506 VanDerWaalsContact O-O 3.12Å; R501-T509 PolarHBondContact NH1-OG1 3.48Å
502I82.3Confident77.5Confident105 Ų10577.7 Ų77.754%0.53838%0.379SS..Hα-helixtrans-60.8-46.5177.9-68.6163.3000111N498 Y500 K504 G505 P508N498-I502 WeakPolarHBondContact O-CB 3.28Å; N498-I502 WeakPolarHBondContact O-CD1 3.25Å; N498-I502 VanDerWaalsContact O-CG1 3.24Å; N498-I502 WeakPolarHBondContact O-CG1 3.47Å; N498-I502 PolarHBondContact O-N 3.41Å; Y500-I502 PolarHBondContact O-N 2.9Å; I502-K504 PolarHBondContact O-N 3.47Å; I502-G505 PolarHBondContact O-N 3.43Å; I502-P508 HydrophobicContact CD1-CB 4.22Å; I502-P508 HydrophobicContact CD1-CG 4.4Å; I502-P508 HydrophobicContact CG1-CB 4.27Å; I502-P508 HydrophobicContact CG1-CG 4.41Å
503K83.1Confident75.5Confident165 Ų16575.7 Ų75.772%0.71738%0.375SS*.Hα-helixtrans-59.9-25.9175.5-75.8171.8179.4174.80113.5Q499 Y500Q499-K503 WeakPolarHBondContact O-CB 3.48Å; Q499-K503 VanDerWaalsContact O-CG 3.3Å; Q499-K503 WeakPolarHBondContact O-CG 3.15Å; Q499-K503 PolarHBondContact O-N 2.91Å; Y500-K503 PolarHBondContact O-N 3.2Å
504K78.2Confident73.9Confident107 Ų10780.8 Ų80.847%0.46541%0.406SS..THydrogen-bonded Turntrans-97.716.7173.5-71.4-139.7170.81690114.4D442 Y500 R501 I502 K506D442-K504 WeakPolarHBondContact OD2-CD 3.5Å; D442-K504 WeakPolarHBondContact OD2-CE 3.24Å; D442-K504 IonicContact OD2-NZ 2.93Å; D442-K504 PolarHBondContact OD2-NZ 2.86Å; Y500-K504 HydrophobicContact CE1-CD 4.04Å; Y500-K504 HydrophobicContact CE1-CG 4.17Å; Y500-K504 PolarHBondContact O-N 3.22Å; Y500-K504 WeakPolarHBondContact OH-CE 3.13Å; Y500-K504 PolarHBondContact OH-NZ 3.1Å; R501-K504 CarbonylContact O-C 3.56Å; R501-K504 PolarHBondContact O-N 3.05Å; R501-K504 VanDerWaalsContact O-N 3.1Å; I502-K504 PolarHBondContact O-N 3.47Å; K504-K506 PolarHBondContact O-N 3Å; K504-K506 VanDerWaalsContact O-N 3.16Å
505G72.1Confident72.4Confident74 Ų7486.1 Ų86.176%0.76343%0.434SS*.THydrogen-bonded Turntrans67.810.4177.200000115R501 I502R501-G505 PolarHBondContact O-N 3.37Å; I502-G505 PolarHBondContact O-N 3.43Å
506K72.4Confident70.8Confident107 Ų10784.6 Ų84.647%0.46543%0.425SS..PPolyproline II helixtrans-93.4140.9179.3-63.5-175.4-180-176.50109.5R501 K504R501-K506 CarbonylContact C-O 3.58Å; R501-K506 VanDerWaalsContact C-O 3.26Å; R501-K506 HydrophobicContact CB-CB 4.32Å; R501-K506 PolarHBondContact O-N 2.98Å; R501-K506 VanDerWaalsContact O-O 3.12Å; K504-K506 PolarHBondContact O-N 3Å; K504-K506 VanDerWaalsContact O-N 3.16Å
507K68.5Low68.8Low187 Ų18785.5 Ų85.581%0.81344%0.443SS*.PPolyproline II helixtrans-57.3137.9178.7-66.5-176.5179.4-179.30110.5
508P73.3Confident66.9Low73 Ų7390.6 Ų90.647%0.47447%0.47SS..PPolyproline II helixtrans-66.2147.8176.128.3-34.4000111.2N498 I502N498-P508 HydrophobicContact CB-CB 4.1Å; I502-P508 HydrophobicContact CD1-CB 4.22Å; I502-P508 HydrophobicContact CD1-CG 4.4Å; I502-P508 HydrophobicContact CG1-CB 4.27Å; I502-P508 HydrophobicContact CG1-CG 4.41Å
509T66.3Low65.4Low29 Ų2993.3 Ų93.318%0.17848%0.482CS..  trans-100.9109.4179.333.50000110.5M497 N498 R501M497-T509 VanDerWaalsContact CE-OG1 3.28Å; M497-T509 WeakPolarHBondContact CE-OG1 3.35Å; N498-T509 PolarHBondContact ND2-O 3.19Å; N498-T509 PolarHBondContact OD1-N 2.91Å; N498-T509 PolarHBondContact OD1-O 3.34Å; N498-T509 PolarHBondContact OD1-OG1 2.95Å; R501-T509 PolarHBondContact NH1-OG1 3.48Å
510Q57.5Low63.5Low155 Ų15592.7 Ų92.772%0.72448%0.481SS*.  trans-83.6114.7167.2-67.3178.8-6.900109.3
511R63.9Low61.5Low168 Ų16893.9 Ų93.963%0.63450%0.501SS*.SBendtrans-140.5-19.2179.5-73.4-174.9169.1169.8-4.1114.8F452 E494F452-R511 HydrophobicContact CZ-CB 4.46Å; E494-R511 WeakPolarHBondContact OE1-CA 3.5Å; E494-R511 PolarHBondContact OE1-N 2.81Å
512A52.8Low59.8Low8 Ų8100 Ų1007%0.06652%0.524CS..SBendtrans-115.6-35.2176.100000114.3F452 E494 V514 I515F452-A512 HydrophobicContact CE2-CB 4.37Å; F452-A512 HydrophobicContact CZ-CB 4.31Å; E494-A512 PolarHBondContact OE1-N 3.22Å; E494-A512 WeakPolarHBondContact OE2-CB 3.46Å; E494-A512 PolarHBondContact OE2-N 2.8Å; A512-V514 PolarHBondContact O-N 2.93Å; A512-I515 PolarHBondContact O-N 3.49Å
513S47.1Very low57.9Low50 Ų5097.8 Ų97.835%0.3552%0.518SS..Hα-helixtrans-48.9-31.3-17849.30000116.4E494 I515E494-S513 PolarHBondContact OE2-N 3.49Å; S513-I515 VanDerWaalsContact C-N 3.28Å; S513-I515 PolarHBondContact O-N 2.8Å
514V52.9Low55.5Low120 Ų12096.8 Ų96.873%0.72752%0.521SS*.Hα-helixtrans-67.5-23.6178.9-178.70000113.3A512A512-V514 PolarHBondContact O-N 2.93Å
515I54.1Low53.4Low115 Ų11596.7 Ų96.759%0.5953%0.532SS*.Hα-helixtrans-94.3-21.6-170.1-61.5174.6000112.6A512 S513A512-I515 PolarHBondContact O-N 3.49Å; S513-I515 VanDerWaalsContact C-N 3.28Å; S513-I515 PolarHBondContact O-N 2.8Å
516I53.4Low51.5Low39 Ų3998.5 Ų98.520%0.253%0.533CS..Hα-helixtrans-83.7-25.2-170.3-57.9-175.9000112.7M487 Q491 D518 E519 L520M487-I516 HydrophobicContact CE-CG1 4.03Å; M487-I516 HydrophobicContact CE-CG2 4.39Å; Q491-I516 HydrophobicContact CB-CD1 4.24Å; I516-D518 PolarHBondContact O-N 3.35Å; I516-E519 PolarHBondContact O-N 2.85Å; I516-L520 PolarHBondContact O-N 2.85Å
517A46Very low49.9Very low75 Ų7598.9 Ų98.962%0.6255%0.549SS*.Hα-helixtrans-59.2-40.7-17300000114.6
518D45.3Very low48.1Very low109 Ų10998.3 Ų98.358%0.58355%0.554SS**Hα-helixtrans-80.2-19-175.3-172.449.8000113.8I516 R522I516-D518 PolarHBondContact O-N 3.35Å; D518-R522 PolarHBondContact O-NH1 2.89Å; D518-R522 IonicContact OD1-CZ 3Å; D518-R522 IonicContact OD1-NH1 3.09Å; D518-R522 PolarHBondContact OD1-NH1 3.43Å; D518-R522 IonicContact OD1-NH2 3.16Å; D518-R522 IonicContact OD2-NH1 2.78Å; D518-R522 PolarHBondContact OD2-NH1 3.28Å
519E53.1Low46.1Very low78 Ų78101 Ų10136%0.36458%0.575SS.*Hα-helixtrans-95.5-32.7-177.8-146.6171.4-158.400112.2K463 M487 I516 R522K463-E519 IonicContact NZ-OE1 3.69Å; K463-E519 PolarHBondContact NZ-OE1 3.33Å; K463-E519 IonicContact NZ-OE2 3.6Å; K463-E519 PolarHBondContact NZ-OE2 3.41Å; M487-E519 WeakPolarHBondContact CE-OE2 3.36Å; I516-E519 PolarHBondContact O-N 2.85Å; E519-R522 PolarHBondContact O-N 2.8Å
520L45.9Very low44.4Very low97 Ų97105.2 Ų105.251%0.50861%0.605SS.*Hα-helixtrans-72.2-30.9175.4-146.578.9000112.5I516 R522 S523I516-L520 PolarHBondContact O-N 2.85Å; L520-R522 PolarHBondContact O-N 2.85Å; L520-S523 PolarHBondContact O-N 3Å; L520-S523 PolarHBondContact O-OG 2.59Å
521A42.1Very low43.3Very low73 Ų73105.4 Ų105.460%0.60361%0.61SS**THydrogen-bonded Turntrans-63-26.4175.600000113.1
522R46.5Very low42.3Very low167 Ų167102.7 Ų102.763%0.6361%0.614SS**THydrogen-bonded Turntrans-89.7-5.6-178.3-72.2-174.6173.981.2-3114.8D518 E519 L520D518-R522 PolarHBondContact O-NH1 2.89Å; D518-R522 IonicContact OD1-CZ 3Å; D518-R522 IonicContact OD1-NH1 3.09Å; D518-R522 PolarHBondContact OD1-NH1 3.43Å; D518-R522 IonicContact OD1-NH2 3.16Å; D518-R522 IonicContact OD2-NH1 2.78Å; D518-R522 PolarHBondContact OD2-NH1 3.28Å; E519-R522 PolarHBondContact O-N 2.8Å; L520-R522 PolarHBondContact O-N 2.85Å
523S40.8Very low41.4Very low58 Ų58109.3 Ų109.341%0.40665%0.648SS.*THydrogen-bonded Turntrans-95.5-19.7-17556.30000115.3L520 C525L520-S523 PolarHBondContact O-N 3Å; L520-S523 PolarHBondContact O-OG 2.59Å; S523-C525 VanDerWaalsContact C-N 3.34Å; S523-C525 PolarHBondContact O-N 2.92Å
524N33Very low40.7Very low144 Ų144113.9 Ų113.977%0.7767%0.669SS**SBendtrans-84-3.9-173.3-70.8-12.7000114.5
525C33.5Very low39.8Very low104 Ų104115.8 Ų115.870%0.70368%0.675SS**SBendtrans-115.145.4-173.648.90000113.6S523S523-C525 VanDerWaalsContact C-N 3.34Å; S523-C525 PolarHBondContact O-N 2.92Å
526S33.7Very low38.9Very low113 Ų113117.9 Ų117.979%0.7969%0.687SS**  trans-149.379.7166.9-159.30000112.5
527S37.8Very low38Very low114 Ų114123.2 Ų123.280%0.79772%0.716SS**  trans-132.1160.4163.4-72.70000108.5
528L31.3Very low37.5Very low176 Ų176125.4 Ų125.492%0.92173%0.727SS**  trans73.698.6-176.2-49.6173.7000116.3
529S32.1Very low36.8Very low130 Ų130128 Ų12891%0.90974%0.741SS**  -170.3167.7116.864.40000110.2
530S30.7Very low35.7Very low116 Ų116127.8 Ų127.881%0.81176%0.759SS**  trans-108.3176.6-162.553.50000115.6
531L34.1Very low35Very low159 Ų159128.4 Ų128.483%0.83278%0.778SS**  trans-48.3165.5166.3-67.8174.8000113.9
532P42.2Very low34.4Very low111 Ų111128.6 Ų128.672%0.72179%0.787SS**  cis-140.7-173.430.243-23000118.9
533L33.3Very low33.7Very low147 Ų147129.8 Ų129.877%0.7780%0.8SS**  trans2.4150.7147.7-51.1167.1000118.5
534D32.2Very low33.3Very low147 Ų147137.8 Ų137.879%0.78682%0.821SS**  -155.8-173.860.8-82.8-47.5000113.8
535D34.1Very low33.5Very low159 Ų159137 Ų13785%0.8582%0.824SS**  trans-80.9165-176.1-60.1-61.4000115.3
536D35.9Very low33.3Very low159 Ų159143.3 Ų143.385%0.8583%0.833SS**  166163.3108.8-157.49000112
537D34.3Very low33.3Very low152 Ų152143.4 Ų143.481%0.81383%0.834SS**  trans-78.4163.1-177.3-85.9-45.3000114.5
538S35.7Very low32.9Very low121 Ų121149.6 Ų149.685%0.84684%0.84SS**  169.4155.7121.4-166.10000113.5
539D31.6Very low32.8Very low164 Ų164145.5 Ų145.588%0.87783%0.826SS**  trans-71.4160.1176.5-86.6-55.9000113.8
540G29.2Very low32.7Very low73 Ų73145 Ų14575%0.75382%0.817SS**  trans172.3114.8162.500000117.8
541A30.7Very low32.7Very low110 Ų110148.5 Ų148.591%0.90982%0.82SS**  trans-22.3123.2167.500000117.7
542G30.1Very low32.4Very low76 Ų76144.4 Ų144.478%0.78482%0.817SS**  trans-85.3167.2174.700000115
543Q31.7Very low31.8Very low192 Ų192144.8 Ų144.890%0.89782%0.822SS**  trans-134.3150162.6-74.1-156.75.800112.5
544R31.3Very low32.4Very low226 Ų226144 Ų14485%0.85383%0.826SS**PPolyproline II helixtrans-83.1142.7161.4-71.2174.7170.4152-5.7109.7
545P37.5Very low32.2Very low127 Ų127145.2 Ų145.283%0.82583%0.827SS**PPolyproline II helixtrans-86.3149.7139.7-19.534.6000111.3
546R30.1Very low31.9Very low237 Ų237145.4 Ų145.489%0.89483%0.827SS**PPolyproline II helixtrans-99.2154172.5-106.8177.2169.2156.3-7.4111
547S34.2Very low31.6Very low116 Ų116142.7 Ų142.781%0.81182%0.82SS**PPolyproline II helixtrans-52.1141.7178.4-28.70000115.6
548R28.7Very low32Very low244 Ų244141 Ų14192%0.92182%0.817SS**  trans-157159.1145.5-88.8-165.8-176.6-173-0.1109.5
549S28.4Very low31.6Very low90 Ų90142.4 Ų142.463%0.62982%0.815SS**  cis178.8148-40.852.90000111
550V30Very low31.4Very low119 Ų119145.2 Ų145.272%0.72181%0.813SS**  trans78.5140.1154.8173.50000119.8
551Q31.9Very low31.3Very low189 Ų189146 Ų14688%0.88381%0.807SS**  trans65.1137.7164.6-77.9152.314.100119.4
552G27.8Very low31.3Very low74 Ų74148.7 Ų148.776%0.76381%0.805SS**  cis-176.6162.4-6.500000114.4
553S29.4Very low31.1Very low119 Ų119148.2 Ų148.283%0.83280%0.8SS**  trans-95.9162.3168.7-48.70000110.5
554P45.7Very low31.1Very low130 Ų130143.6 Ų143.684%0.84480%0.795SS**  -138.1-179.698.337.9-25.9000114.3
555Q27.1Very low30.8Very low172 Ų172141.6 Ų141.680%0.80480%0.795SS**  trans-91.8163.8177.1-59.4-166.610.800112.7
556L28.3Very low30.3Very low163 Ų163145.8 Ų145.885%0.85380%0.796SS**  176.9163.1104.6-89171.9000111.8
557S30.3Very low30.2Very low102 Ų102141 Ų14171%0.71379%0.789SS**  trans-110.6167.9169.766.10000109.8
558P41.2Very low30Very low116 Ų116141.4 Ų141.475%0.75379%0.786SS**  -159.1145.781.739-17.2000119.8
559L28.6Very low30Very low151 Ų151136 Ų13679%0.79177%0.771SS**  58.7141.6127.7-144.582.3000125.3
560R28.1Very low30Very low223 Ų223140.4 Ų140.484%0.84277%0.774SS**  trans74.2153.3158.4-88.4178.5-173-179.31.8117.8
561S26.9Very low29.8Very low89 Ų89143.2 Ų143.262%0.62278%0.779SS**  cis-159.5170.81.1-132.30000112.8
562L30.1Very low29.4Very low167 Ų167137.6 Ų137.687%0.87477%0.772SS**  trans67.8150162.9-65.9155000116.9
563G25.2Very low29.5Very low66 Ų66139.8 Ų139.868%0.6878%0.776SS**  cis102129.8-1.800000113.9
564A31.6Very low30.9Very low96 Ų96139.8 Ų139.879%0.79377%0.773SS**  cis-161.7-150.2-4.200000110.1
565E24.8Very low30.1Very low183 Ų183138.8 Ų138.886%0.85578%0.776SS**  trans97.3167.2160.7-51.9-164.5163.200120
566Y27.8Very low30Very low215 Ų215134.4 Ų134.484%0.84378%0.777SS**  trans-141.3-176.2-133.7-85.3-81.6000115.4
567D27.4Very low30Very low138 Ų138133.9 Ų133.974%0.73878%0.775SS**  trans75.3138.9169.3-67.3-16.5000119
568V29.7Very low29.9Very low124 Ų124135.6 Ų135.675%0.75278%0.776SS**  cis83.6132.529.7-175.60000110.2
569E28.6Very low29.4Very low130 Ų130137.9 Ų137.961%0.60778%0.776SS**  cis-160.517336.6-148.7-174.7-174.700114.5
570R29.8Very low29.6Very low183 Ų183139.3 Ų139.369%0.69178%0.776SS**  trans61.2169.6154.6-88.6179.2-115.4-112.9-12.2117.4
571Q26Very low29.6Very low177 Ų177133 Ų13383%0.82777%0.766SS**  cis-148.9167.5-1-129.4151.7-4.200106.7
572G22.8Very low29.6Very low71 Ų71137.4 Ų137.473%0.73278%0.776SS**  cis177.4178.12.200000109.8
573S29.3Very low29.6Very low120 Ų120134.2 Ų134.284%0.83977%0.768SS**  trans-101-176.5175.8-45.30000110.8
574P59Low29.9Very low120 Ų120142.2 Ų142.278%0.77978%0.778SS**  cis-143.9-170.8243.8-24000117.5
575A28.4Very low29.8Very low109 Ų109145.6 Ų145.690%0.90178%0.782SS**  trans80.1143.7150.500000122
576G25.5Very low29.9Very low80 Ų80139.9 Ų139.983%0.82577%0.772SS**  trans16081.2170.500000119.5
577N28.2Very low29.9Very low151 Ų151139.4 Ų139.481%0.80777%0.774SS**  trans8.5125.8160-76-16.4000125.4
578N29.5Very low29.9Very low138 Ų138139.4 Ų139.474%0.73877%0.774SS**  36.5130.3115.6-79.8-33.6000124
579H29.4Very low29.8Very low165 Ų165136.2 Ų136.276%0.76477%0.767SS**  -165.4127.3120.1-94.8-55.7000110.2
580K32.5Very low29.9Very low181 Ų181137.9 Ų137.979%0.78778%0.779SS**  60.5130.287.5-74.2-162.7-178.41800114.8
581S28.6Very low29.8Very low90 Ų90138 Ų13863%0.62979%0.787SS**  cis-153.7-161.6-5.2-65.90000108
582H27.3Very low29.8Very low181 Ų181134 Ų13484%0.83878%0.784SS**  cis-156.7-161.95.6-132.4-41.5000110.9
583S29.3Very low31.1Very low101 Ų101135.5 Ų135.571%0.70678%0.781SS**  trans-159.2165.7-179.373.10000115.5
584R31.9Very low31Very low233 Ų233137.7 Ų137.788%0.87978%0.778SS**  trans165.4132.4151.8-95.5169.1-168.5-149.31.9107.8
585L30.4Very low29.4Very low168 Ų168136.6 Ų136.688%0.8877%0.773SS**  cis-139.1-178.9-1.7-82.1169.5000107.8
586G26.9Very low29.2Very low62 Ų62141 Ų14164%0.63977%0.767SS**  cis119.7148.12.600000113
587F26.9Very low29.3Very low205 Ų205144.1 Ų144.190%0.89976%0.761SS**  trans78.6136.8-175.2-120-105.4000116.7
588D27.6Very low29.1Very low138 Ų138142.8 Ų142.874%0.73875%0.754SS**  -168.8168.8-80.6-92.2106.2000107.6
589G27.4Very low28.8Very low58 Ų58143.1 Ų143.160%0.59875%0.751SS**  cis-127.7-143.36.200000113.9
590L32.1Very low28.7Very low164 Ų164144.5 Ų144.586%0.85975%0.749SS**  cis83.4139.535.5-52.5176.7000114.1
591E26.9Very low28.6Very low186 Ų186142.5 Ų142.587%0.86974%0.743SS**  cis-126.1179.38.3-79.6-159.8135.600115.4
592A25.5Very low28.6Very low92 Ų92144 Ų14476%0.7675%0.748SS**  trans-129.2-141.1176.700000111.6
593P51.3Low28.6Very low103 Ų103140.7 Ų140.767%0.66975%0.745SS**  trans-124.3-179.7-133.227.7-3000117.4
594H26.9Very low28.6Very low167 Ų167141.5 Ų141.577%0.77375%0.751SS**  trans89.2120.6154.7-61-58.8000121.8
595S24.8Very low28.6Very low96 Ų96136 Ų13667%0.67174%0.743SS**  90.7149128.2-65.50000123.8
596Y25.2Very low28.6Very low201 Ų201135 Ų13579%0.78874%0.739SS**  trans69.7105153.6-68.2-58.3000122.8
597Q26.3Very low28.6Very low147 Ų147137.5 Ų137.569%0.68775%0.746SS**  87.2146.6107.8-171.5168.3-8.400121.7
598N24.7Very low29.2Very low123 Ų123133 Ų13366%0.65874%0.74SS**  trans69.8162166-76.6-7.5000117.9
599Q23.4Very low30.9Very low145 Ų145130.6 Ų130.668%0.67873%0.732SS**  cis-176.5137.5-29.3170.4174.171.200109.6
600R27.7Very low31.1Very low194 Ų194136.8 Ų136.873%0.73274%0.739SS**  trans63.6165.9166.7-76.8-178.7-165.8-90.43.5117.5
601E28.7Very low31.5Very low139 Ų139136.9 Ų136.965%0.6573%0.732SS**  cis-175.9176.6-30.5-165.8165.8-142.500110.3
602V29.5Very low31.7Very low122 Ų122134.2 Ų134.274%0.73973%0.729SS**  trans77.5141.4161.3-141.70000120.8
603S27.7Very low32.3Very low110 Ų110136.5 Ų136.577%0.76973%0.728SS**  trans83.2140.8158.8-54.20000118.9
604S29.2Very low32.2Very low119 Ų119137.5 Ų137.583%0.83273%0.734SS**  cis-162.3-179-12.5490000111.9
605T32Very low32.6Very low118 Ų118140.5 Ų140.572%0.72474%0.738SS**  trans-92.3177.8-164.255.60000117
606N29.7Very low34.6Very low146 Ų146141 Ų14178%0.78174%0.74SS**  trans113.8152.9154.1-57.3-12.8000115.9
607S28.1Very low36Very low114 Ų114137.1 Ų137.180%0.79774%0.739SS**  cis-174.5170.4-40.6510000110.2
608S38.4Very low36.3Very low111 Ų111141.6 Ų141.678%0.77675%0.75SS**  trans-121.2-163.2-178.268.80000111.4
609P62.5Low36.9Very low87 Ų87142.6 Ų142.657%0.56576%0.755SS**  cis-144.8-15017.643-18.4000116.2
610Y32.3Very low38.4Very low189 Ų189139.9 Ų139.974%0.74175%0.75SS**  trans93.8143.2164.2-60.3-49.3000118.8
611K39.8Very low38.6Very low166 Ų166141.4 Ų141.472%0.72276%0.756SS**  cis-166171.86.2-124.4160.7-163.9158.20109.4
612T32.6Very low38.9Very low129 Ų129139.5 Ų139.579%0.79176%0.758SS**  cis-146.3-132.64.6-38.80000111.4
613L37.6Very low39.4Very low141 Ų141142.1 Ų142.174%0.73876%0.764SS**  trans-163.1163.6-176.6-124.7164.8000110.7
614P49.3Very low41.1Very low123 Ų123141.7 Ų141.780%0.79976%0.759SS**  -153-174.9106.439.7-20000117.3
615R35.1Very low41.7Very low230 Ų230141.8 Ų141.887%0.86876%0.757SS**  trans-160.9-177.8-174.3-117.1-172.6-174.4-171.64.1108.7
616P67.8Low42.1Very low107 Ų107142.2 Ų142.270%0.69576%0.759SS**  cis-128.9-165.8-25.140.7-22.1000111.9
617P54.3Low43.1Very low120 Ų120140.8 Ų140.878%0.77976%0.758SS**  -145.2-168.887.243.8-27000112.1
618R32.7Very low43.3Very low240 Ų240141.7 Ų141.791%0.90676%0.758SS**  cis-147.5-169-6.7-143.9178.5-178.5158.82.7109.7
619D36.7Very low43.3Very low145 Ų145144.2 Ų144.278%0.77576%0.76SS**  trans-163.3-174.3-168.5-131.1-15.5000110.6
620P54.9Low41.9Very low88 Ų88146.7 Ų146.757%0.57177%0.773SS**  cis-136.2-179.5-2831.4-10.8000115
621R32.8Very low42.2Very low225 Ų225148.9 Ų148.985%0.84978%0.78SS**  160.8113123.9-87175.8-141.2-139.13.6119.1
622S34.5Very low41.8Very low99 Ų99148 Ų14869%0.69278%0.784SS**  44.6115.6129.565.50000126.2
623M39.5Very low41.8Very low177 Ų177145.6 Ų145.687%0.87278%0.777SS**  70.9153.5122.5-66.8-59.3-86.400124.1
624P62.6Low41.5Very low102 Ų102149.5 Ų149.566%0.66278%0.783SS**  trans-88.7176.6-174.941-40.1000113.4
625P43.5Very low40.5Very low121 Ų121147.9 Ų147.979%0.78678%0.775SS**  cis-149.4-163.840.142.5-18.4000117.9
626T39.4Very low40.3Very low127 Ų127141.7 Ų141.778%0.77977%0.767SS**  trans-70.3155160.550.60000110.7
627P51.2Low38.7Very low116 Ų116142.1 Ų142.175%0.75377%0.773SS**  -159.2-165.784.433.1-6.6000117.3
628V31.9Very low37.9Very low132 Ų132143.8 Ų143.880%0.877%0.77SS**  trans97.1129.3154.6-1720000120.2
629M37.8Very low37.9Very low164 Ų164140.3 Ų140.381%0.80877%0.769SS**  trans-95.9152.9166.6-67163.349.200112.5
630T34.5Very low37.8Very low139 Ų139141.4 Ų141.485%0.85376%0.762SS**  trans-178.6163136.420.70000108.2
631R36.7Very low36.5Very low235 Ų235141.2 Ų141.289%0.88776%0.762SS**  cis-146.1165.213-164.7167166.5145.5-6.4110.5
632N31.7Very low36.6Very low149 Ų149137.4 Ų137.480%0.79775%0.754SS**  trans-90.8168-174.3-61.1-20.5000115.3
633A32.5Very low36.2Very low78 Ų78135.7 Ų135.765%0.64575%0.752SS**  trans86.3155.5147.800000117.7
634Y33.1Very low35.7Very low222 Ų222132.8 Ų132.887%0.87175%0.749SS**  cis-138.1169.817-109.4-73000116
635S28.1Very low35.4Very low90 Ų90133.1 Ų133.163%0.62975%0.752SS**  trans-22.4152.8161.7-68.10000119.7
636S31.2Very low35.1Very low100 Ų100135.3 Ų135.370%0.69975%0.751SS**  cis87.5109.824.786.80000117.4
637S33.8Very low34.7Very low116 Ų116133.5 Ų133.581%0.81174%0.742SS**  trans-176.7159.5161.445.10000110.9
638Q36.5Very low33.6Very low155 Ų155135.9 Ų135.972%0.72474%0.741SS**  cis-169.9166.1-43.3-121166.9-1.800110.2
639L33.8Very low33.5Very low167 Ų167138.6 Ų138.687%0.87474%0.737SS**  trans147.2108.7155.5-82.2166.9000107.6
640R34.2Very low33.1Very low168 Ų168137 Ų13763%0.63473%0.727SS**  cis75.8142.943.3-76.8-169.5169.5-86.4-0.2114.5E642R640-E642 IonicContact CZ-OE1 2.64Å; R640-E642 IonicContact NH1-OE1 2.74Å; R640-E642 PolarHBondContact NH1-OE1 2.84Å; R640-E642 IonicContact NH1-OE2 3.17Å; R640-E642 PolarHBondContact NH1-OE2 2.87Å; R640-E642 IonicContact NH2-OE1 3.95Å
641S27.2Very low32.9Very low83 Ų83140.7 Ų140.758%0.5873%0.726SS**  cis-153.4172.36.4-116.20000111.1
642E34.2Very low32.6Very low145 Ų145134.9 Ų134.968%0.67872%0.721SS**  cis-125.1-97.33.2-173.367.9-129.800113.4R640R640-E642 IonicContact CZ-OE1 2.64Å; R640-E642 IonicContact NH1-OE1 2.74Å; R640-E642 PolarHBondContact NH1-OE1 2.84Å; R640-E642 IonicContact NH1-OE2 3.17Å; R640-E642 PolarHBondContact NH1-OE2 2.87Å; R640-E642 IonicContact NH2-OE1 3.95Å
643G25.8Very low32.4Very low63 Ų63131.5 Ų131.565%0.64972%0.721SS**  cis-149.1-172.45.500000113.6
644S29.6Very low32.3Very low116 Ų116133 Ų13381%0.81173%0.727SS**  trans-168.9172-169.5-99.20000113.9
645P57.1Low32.3Very low110 Ų110129.6 Ų129.671%0.71472%0.723SS**  cis-113.2-166.12.944.4-33.4000111.5
646H36.4Very low32.6Very low167 Ų167133.3 Ų133.377%0.77373%0.731SS**  cis-161.9161.3-2.1-130.218000106.2
647C30.7Very low32.6Very low88 Ų88133.7 Ų133.760%0.59573%0.733SS**  cis-154.6-137-12.7-146.50000106.4
648F28.6Very low32.5Very low167 Ų167134.6 Ų134.673%0.73273%0.725SS**  cis-147-85.8-2-149.1-2.3000114.7
649R30.6Very low33.1Very low189 Ų189133.6 Ų133.671%0.71373%0.731SS**  trans-159.7153.9-159.7-75.1-173.3175.5-162-0.3110.8
650H29Very low32.9Very low129 Ų129135.4 Ų135.460%0.59773%0.726SS**  cis-167.2147.4-5.9-110.3-20.9000110.5
651R29.8Very low32.6Very low218 Ų218136 Ų13682%0.82374%0.741SS**  trans60.6-179.8148.4-67.2-175.4178-155.4-1.7118
652S31Very low32.7Very low113 Ų113141.1 Ų141.179%0.7975%0.748SS**  -171154.7-50.5-79.60000109.8
653G28.1Very low32.3Very low78 Ų78144.1 Ų144.180%0.80476%0.759SS**  trans96.1158169.800000114.8
654S29.3Very low32.4Very low109 Ų109145.2 Ų145.276%0.76275%0.75SS**  cis117.9100.6-2.2-174.30000115.7
655L33.3Very low32.3Very low151 Ų151145.7 Ų145.779%0.79175%0.748SS**  trans61173.8149.3-80.5168.7000121.1
656E33.6Very low30.8Very low168 Ų168148.1 Ų148.179%0.78576%0.755SS**  trans64.7149.1-175.4-93.752.3-119.200116.5
657S31.1Very low30.7Very low108 Ų108144.7 Ų144.776%0.75576%0.756SS**  cis-155172.30.748.40000112.4
658Q33.1Very low30.4Very low135 Ų135149.8 Ų149.863%0.63177%0.771SS**  trans-73.2-178.1163-55-162.5-65.400111.2R660Q658-R660 VanDerWaalsContact OE1-CG 3.29Å
659P47.7Very low30.5Very low133 Ų133151.1 Ų151.186%0.86478%0.776SS**  -129.3164.199.337.5-32.8000114.3
660R31.1Very low31Very low205 Ų205147.1 Ų147.177%0.77478%0.775SS**  trans-104.5157.6173.7-61.9-177.2173.9-157.3-1.8110.7Q658Q658-R660 VanDerWaalsContact OE1-CG 3.29Å
661L26.6Very low31Very low180 Ų180146.4 Ų146.494%0.94278%0.779SS**  trans-142.8156.8134.1-158.659.8000109.9
662R29.6Very low31Very low192 Ų192144.9 Ų144.973%0.72578%0.779SS**  trans-129.9143.3-177.2-157.7-171.1-158.3-132.44.8109.3D664R662-D664 WeakPolarHBondContact CD-OD2 3.49Å; R662-D664 IonicContact CZ-OD1 2.69Å; R662-D664 IonicContact CZ-OD2 3.22Å; R662-D664 VanDerWaalsContact CZ-OD2 3.3Å; R662-D664 IonicContact NE-OD1 2.89Å; R662-D664 PolarHBondContact NE-OD1 3.27Å; R662-D664 IonicContact NE-OD2 2.65Å; R662-D664 IonicContact NH1-OD1 2.71Å; R662-D664 PolarHBondContact NH1-OD1 2.79Å; R662-D664 IonicContact NH1-OD2 2.82Å; R662-D664 PolarHBondContact NH1-OD2 2.88Å; R662-D664 IonicContact NH2-OD1 3.23Å; R662-D664 PolarHBondContact NH2-OD1 3.33Å
663K25.3Very low30.8Very low207 Ų207146.4 Ų146.490%0.978%0.777SS**  trans-150.8134.5145.2-152.9173.7-176.9-176.40109.5
664D28.7Very low30.9Very low87 Ų87150.2 Ų150.247%0.46578%0.778SS.*  trans-100.8156.1-179.6-48.3-97.4000110R662R662-D664 WeakPolarHBondContact CD-OD2 3.49Å; R662-D664 IonicContact CZ-OD1 2.69Å; R662-D664 IonicContact CZ-OD2 3.22Å; R662-D664 VanDerWaalsContact CZ-OD2 3.3Å; R662-D664 IonicContact NE-OD1 2.89Å; R662-D664 PolarHBondContact NE-OD1 3.27Å; R662-D664 IonicContact NE-OD2 2.65Å; R662-D664 IonicContact NH1-OD1 2.71Å; R662-D664 PolarHBondContact NH1-OD1 2.79Å; R662-D664 IonicContact NH1-OD2 2.82Å; R662-D664 PolarHBondContact NH1-OD2 2.88Å; R662-D664 IonicContact NH2-OD1 3.23Å; R662-D664 PolarHBondContact NH2-OD1 3.33Å
665T28Very low31.2Very low125 Ų125150.2 Ų150.277%0.76778%0.778SS**  -175.3113.6129.131.70000110.7
666D25.9Very low31.6Very low161 Ų161148.2 Ų148.286%0.86177%0.774SS**  trans55170.6137.7-57.9-54.4000122.5
667A32.5Very low31.3Very low96 Ų96145 Ų14579%0.79377%0.77SS**  trans-137.6147.2-166.400000111.3
668E26.4Very low31.1Very low194 Ų194148.9 Ų148.991%0.90778%0.776SS**  trans-150.5145.4161.6-123.2170.4-150.200112.2
669K29.8Very low30.8Very low195 Ų195150.6 Ų150.685%0.84878%0.783SS**  trans-114.3146.9156.7-86.5-176.2177.9-179.50103.9
670P40.3Very low30Very low106 Ų106148.6 Ų148.669%0.68877%0.773SS**  -161.3170.362.544.8-24.6000118.8
671V28.8Very low29.9Very low113 Ų113146.3 Ų146.369%0.68578%0.776SS**  trans65.2146.7132.1160.10000119.2
672F30.1Very low30Very low186 Ų186142.3 Ų142.382%0.81676%0.763SS**  cis-126.1-179.3-2.3-96.5-51.9000108.3
673I27.3Very low30.2Very low146 Ų146138.9 Ų138.975%0.74976%0.763SS**  -161.5135.751.9-83.1-177.6000111.6
674L29.3Very low30.4Very low157 Ų157137.3 Ų137.382%0.82276%0.759SS**  trans58.9140156.7-68.3168.4000124.3
675S36.1Very low30.6Very low109 Ų109138.8 Ų138.876%0.76277%0.771SS**  trans-131.9151.7150.7-52.30000107.8
676P41.2Very low30.7Very low110 Ų110139.9 Ų139.971%0.71477%0.772SS**  -137.5144116.316.45.2000111.1
677S27.6Very low30.7Very low99 Ų99140.1 Ų140.169%0.69277%0.767SS**  67.5118.451.879.90000115.6
678H28Very low30.8Very low191 Ų191142.9 Ų142.988%0.88477%0.769SS**  trans-168.8153.1134.2-108.1-72.7000113.9
679H27Very low30.8Very low170 Ų170140.2 Ų140.279%0.78777%0.77SS**  trans-81146.2173.2-87.7-39.7000111.5
680S30.4Very low30.9Very low92 Ų92135.9 Ų135.964%0.64376%0.764SS**  82.3161.970.5-45.60000115.1
681N27.9Very low30.4Very low157 Ų157135.7 Ų135.784%0.8477%0.766SS**  trans83.4145.3177.8-65.28.3000117.5
682S29.3Very low30.3Very low96 Ų96140 Ų14067%0.67177%0.771SS**  cis-165.9170.8-14.447.70000112.8
683T34Very low30.3Very low119 Ų119138 Ų13873%0.7377%0.774SS**  trans-10.7165.3153.359.70000119.5
684E29.4Very low30.4Very low174 Ų174135 Ų13581%0.81377%0.766SS**  cis-140.4168.826.3-73.8178.7131.800110.8
685V33.1Very low30.3Very low119 Ų119136.6 Ų136.672%0.72177%0.769SS**  cis102.4130.713.5173.90000115.6
686L29.6Very low29.8Very low148 Ų148136 Ų13678%0.77577%0.765SS**  trans68.6157-179.3-63.3169.1000116.7
687E27.4Very low29.3Very low166 Ų166135.9 Ų135.978%0.77677%0.767SS**  cis-147.6171.70.1-149.7152-13100113.4
688D33.7Very low29.4Very low153 Ų153138.5 Ų138.582%0.81877%0.772SS**  trans-71.7148.3169.2-81.6-58000113.4
689C26.7Very low29.4Very low138 Ų138135.5 Ų135.593%0.93276%0.763SS**  trans-159.8162.5145.6-109.60000112.3
690S30.7Very low29.4Very low105 Ų105136.8 Ų136.873%0.73476%0.762SS**  trans-141.9168.3-168.576.50000114.6
691S30.5Very low29.2Very low102 Ų102137 Ų13771%0.71376%0.763SS**  trans84.7143150.6-57.80000120.4
692Y27Very low29.2Very low204 Ų204133.1 Ų133.180%0.876%0.76SS**  trans67.7113.7155-102.7-100.7000121.3
693T29.6Very low29.2Very low142 Ų142133.7 Ų133.787%0.87177%0.77SS**  -161.7164105.117.50000110.5
694S30.3Very low29Very low85 Ų85132.7 Ų132.759%0.59477%0.774SS**  trans-134.4155.1-169.6-450000112.3
695Q27.4Very low29Very low189 Ų189131.7 Ų131.788%0.88377%0.774SS**  trans-170.5145.9148.2-111.2151.2104.500114.5
696S24.7Very low29Very low96 Ų96130.6 Ų130.667%0.67177%0.772SS**  trans32.5124.2153.856.50000120.2
697S30.1Very low28.9Very low109 Ų109132.1 Ų132.176%0.76278%0.775SS**  cis68.9152.817.195.20000117.7
698L30.8Very low28.9Very low153 Ų153135.1 Ų135.180%0.80178%0.781SS**  trans82.9124.1-156.5-55.1164.5000111.9
699D26.9Very low28.7Very low129 Ų129131.3 Ų131.369%0.6978%0.778SS**  cis-158.5176.82.2-125.5-11.7000109.5
700Y28.7Very low28.8Very low196 Ų196131 Ų13177%0.76977%0.771SS**  cis-146.9-165.114.9-170.7-121.7000112.1
701C26.1Very low28.8Very low98 Ų98133.2 Ų133.266%0.66277%0.774SS**  trans-76.2170.5-175.5-68.30000115.6
702G27.2Very low28.5Very low75 Ų75134.5 Ų134.577%0.77377%0.773SS**  cis-165.1175.211.700000117.5
703A29.5Very low28.5Very low107 Ų107129.6 Ų129.688%0.88477%0.768SS**  trans-158.5157.9-175.300000111.8
704A29.2Very low28.4Very low98 Ų98134.9 Ų134.981%0.8177%0.773SS**  trans-158.9125.5153.900000107.3
705N29.5Very low28.4Very low153 Ų153135.3 Ų135.382%0.81878%0.781SS**  cis79.994.548.6-88.70.7000116.9
706S34.1Very low29.3Very low96 Ų96131.8 Ų131.867%0.67177%0.774SS**  49.1122.8113.2-164.20000121.6
707H27.2Very low29.4Very low180 Ų180133 Ų13383%0.83378%0.778SS**  trans-136.6145.6143.9-67.8-65000107.6
708Y27.4Very low29.3Very low230 Ų230135.1 Ų135.190%0.90278%0.778SS**  cis67.6128.442-100.2-78.5000115.4
709G29.7Very low29.4Very low73 Ų73134.3 Ų134.375%0.75377%0.77SS**  trans156.8128.7169.300000115.2
710T28.4Very low29.8Very low131 Ų131137.4 Ų137.480%0.80477%0.772SS**  trans-134.3141.9170.9-51.20000107.5
711L29.6Very low30.1Very low152 Ų152134.3 Ų134.380%0.79677%0.768SS**  trans154.7140.9137.8-82.6162.1000115.3
712D24.9Very low30.4Very low129 Ų129137.4 Ų137.469%0.6977%0.772SS**  trans62.4120.3142.2-90.9-53.5000127.1
713S27.1Very low30.5Very low100 Ų100144.1 Ų144.170%0.69977%0.774SS**  56.5114.2122.6-700000123.3
714R26.6Very low30.7Very low254 Ų254147 Ų14796%0.95877%0.767SS**  -162.3129.4124.5-108.3164.5-168.1-173.33.6114.1
715A31.5Very low30.7Very low93 Ų93146.7 Ų146.777%0.76976%0.755SS**  trans-96.4-173157.600000108.5
716P45.7Very low30.8Very low115 Ų115146.6 Ų146.675%0.74775%0.749SS**  cis-118.1-166.20.725.90.7000111.4
717T27.5Very low30.7Very low122 Ų122147.1 Ų147.175%0.74875%0.748SS**  cis-164.1129.945.237.30000111.5
718M28Very low30.9Very low154 Ų154149.4 Ų149.476%0.75975%0.751SS**  66.8121.8103.1-67.6-70.1-163.300120.1
719H31.8Very low31Very low136 Ų136141.5 Ų141.563%0.6374%0.74SS**  trans71.1150.3147.6-72.632.3000117
720R35.7Very low30.9Very low194 Ų194145.4 Ų145.473%0.73274%0.743SS**  cis-170175.4-4-114.7-178.9-160.7-171.717.6107.3
721L34.7Very low30.9Very low130 Ų130145.6 Ų145.668%0.68174%0.744SS**  cis-147.4142.43.4-80.3106.4000110.4
722H33.2Very low30.8Very low163 Ų163141.6 Ų141.676%0.75574%0.739SS**  trans60.5162.7141.4-75.5-102.8000121.1
723R30Very low31.1Very low217 Ų217141.6 Ų141.682%0.81975%0.75SS**  cis-155.2133.916.5-145.4176.3-164.4-177.34.3112.3
724K32.3Very low31.3Very low167 Ų167144.6 Ų144.673%0.72676%0.755SS**  trans49.7150.8141.8-78.9-164.9156.7-106.80120E726K724-E726 IonicContact NZ-OE1 3.35Å; K724-E726 PolarHBondContact NZ-OE1 3.48Å
725V30.8Very low32.2Very low92 Ų92138.3 Ų138.356%0.55875%0.747SS**  cis-163.5135.2151030000112
726E31.7Very low32.4Very low151 Ų151140.4 Ų140.471%0.70675%0.745SS**  trans52157.3137-64.5161.2-144.400121K724K724-E726 IonicContact NZ-OE1 3.35Å; K724-E726 PolarHBondContact NZ-OE1 3.48Å
727V32Very low31.9Very low107 Ų107143.2 Ų143.265%0.64875%0.753SS**  cis-164.7142-2.1120.30000112.2
728Y30.9Very low31.9Very low228 Ų228143.1 Ų143.189%0.89475%0.752SS**  trans56.3162.5155.9-74.7-132.5000120.4
729G28.3Very low31.8Very low64 Ų64143.4 Ų143.466%0.6675%0.751SS**  cis161.1120.1-15.800000117.4
730N27.5Very low31.6Very low154 Ų154143.6 Ų143.682%0.82475%0.752SS**  trans67.4152.5139.5-13914.2000123.1
731T29.2Very low31.1Very low136 Ų136142.5 Ų142.583%0.83476%0.755SS**  trans67.7153.7171.772.60000118
732G27.3Very low30.6Very low67 Ų67142.4 Ų142.469%0.69177%0.765SS**  cis167.8154-11.600000114.7
733S31Very low30.2Very low130 Ų130140.1 Ų140.191%0.90977%0.768SS**  trans69.9129.1161.1-57.80000122.2
734M32Very low30.1Very low163 Ų163135.5 Ų135.580%0.80377%0.767SS**  trans-73.5156.5152.5-92.8167.854.600110.6
735P45.9Very low29.8Very low122 Ų122134.7 Ų134.779%0.79277%0.771SS**  -150.8-178.484.840.1-20.4000116.5
736N35.3Very low29.5Very low136 Ų136140.3 Ų140.373%0.72778%0.783SS**  trans-75.4154.2178.4-47.4-65.1000113.4
737L34.6Very low29.1Very low174 Ų174141.3 Ų141.391%0.91179%0.788SS**  trans-152.7-176.4133.4-137.294.2000111.2
738V26.9Very low28.7Very low120 Ų120141.6 Ų141.673%0.72779%0.793SS**  trans-131.9157.8-158.3-179.80000112
739Q27.5Very low28.4Very low160 Ų160139.3 Ų139.375%0.74879%0.791SS**  trans98.7151.3146.8-119.5168.4-0.400121.7
740H26.5Very low28.1Very low141 Ų141141.5 Ų141.565%0.65379%0.792SS**  trans72.2102.4162.4-69.6-68.6000122.7
741H24.9Very low28.1Very low170 Ų170139.5 Ų139.579%0.78779%0.79SS**  trans6.7127.8135.3-52.6-104000119
742S25.1Very low28Very low128 Ų128138.1 Ų138.190%0.89579%0.786SS**  -170158110.3-82.40000112.4
743S25.5Very low28Very low116 Ų116141.9 Ų141.981%0.81179%0.785SS**  trans-91.8140.7-175.353.50000113.6
744C27.1Very low27.7Very low120 Ų120145.8 Ų145.881%0.81178%0.781SS**  trans-152.7143.2154.8-132.90000111.3
745N24.8Very low27.7Very low149 Ų149141.9 Ų141.980%0.79778%0.775SS**  trans-123.7124.6-177.9-96.13.4000110.6
746Y26.4Very low27.3Very low210 Ų210141.8 Ų141.882%0.82478%0.775SS**  trans-152.2110.9151.8-75.6-74000106
747Q23.2Very low26.9Very low173 Ų173141 Ų14181%0.80878%0.779SS**  89.9109.967.4-89.7-168.2-4100114.6
748C23.2Very low26.6Very low112 Ų112136.2 Ų136.276%0.75777%0.765SS**  trans63.3123.4144.1-1540000121.5
749E23.5Very low26.7Very low181 Ų181142.1 Ų142.185%0.84678%0.776SS**  179.5112122.6-95-175.1177.200108.4
750T23.5Very low26.7Very low110 Ų110144.3 Ų144.368%0.67578%0.779SS**  74.19284.458.80000118
751S27.4Very low26.6Very low111 Ų111144.6 Ų144.678%0.77679%0.79SS**  trans26.2119.9137.1-1790000121.8
752S27.3Very low26.7Very low107 Ų107140.1 Ų140.175%0.74878%0.782SS**  trans172.3157.514341.10000111
753H26.7Very low26.6Very low146 Ų146138.4 Ų138.468%0.67677%0.771SS**  cis-162.4152.6-30-117.5-62.4000110.7
754Y25.3Very low26.6Very low212 Ų212143.2 Ų143.283%0.83177%0.772SS**  trans64.3142155.3-80.1-71.7000123.1
755A31.5Very low26.7Very low82 Ų82144.2 Ų144.268%0.67878%0.775SS**  trans-100.3-176.315900000110.1
756P38Very low26.6Very low120 Ų120142 Ų14278%0.77977%0.77SS**  -155162.2108.239.7-23.1000117.8
757S26.2Very low26.6Very low118 Ų118140.9 Ų140.983%0.82577%0.773SS**  trans65.8143.3138.5-177.50000121.2
758A27.4Very low26.8Very low74 Ų74138.9 Ų138.961%0.61277%0.767SS**  cis-174.2154.2-24.200000108.6
759Y28.9Very low27.1Very low245 Ų245142.4 Ų142.496%0.96178%0.775SS**  trans-161.8145.8133.8-104.6-68.9000109.1
760Y28.5Very low27.2Very low205 Ų205141.8 Ų141.880%0.80477%0.772SS**  trans-120.4131.6-164.9-126.7-86.4000111.2A762Y760-A762 HydrophobicContact CD1-CB 4.04Å; Y760-A762 HydrophobicContact CE1-CB 3.92Å
761V24.4Very low27.7Very low148 Ų148142 Ų14290%0.89778%0.775SS**  trans-141.2135145.5-178.30000106.4
762A27.2Very low28.1Very low75 Ų75145.8 Ų145.862%0.6277%0.774SS**  trans-143.1107.8-175.100000112.2Y760Y760-A762 HydrophobicContact CD1-CB 4.04Å; Y760-A762 HydrophobicContact CE1-CB 3.92Å
763S22.3Very low28.3Very low93 Ų93145.2 Ų145.265%0.6578%0.776SS**  trans-170.4115.8155.954.20000109.7
764Y26.8Very low28.7Very low216 Ų216142.6 Ų142.685%0.84777%0.767SS**  trans172.5126.3135.1-88.4-59.5000107.8C766Y764-C766 PolarHBondContact O-N 3.25Å; Y764-C766 VanDerWaalsContact O-N 3.15Å
765T28.5Very low29.4Very low142 Ų142136 Ų13687%0.87176%0.763SS**  trans-79.596.3-179.447.90000110.1Q767T765-Q767 PolarHBondContact O-N 3.49Å
766C23.1Very low30.1Very low102 Ų102132.8 Ų132.869%0.68974%0.737SS**  trans-61131163.7-171.10000108.7Y764 D768Y764-C766 PolarHBondContact O-N 3.25Å; Y764-C766 VanDerWaalsContact O-N 3.15Å; C766-D768 PolarHBondContact O-N 2.88Å
767Q25.4Very low30.7Very low187 Ų187129.7 Ų129.787%0.87471%0.71SS**  trans-94.488.3174.7-174.4164.652.300108T765 M769T765-Q767 PolarHBondContact O-N 3.49Å; Q767-M769 PolarHBondContact O-N 3.41Å; Q767-M769 VanDerWaalsContact O-N 3.16Å
768D27.2Very low31.8Very low131 Ų131128 Ų12870%0.70169%0.694SS**  trans-57.9118.5-175.4-69-39.9000111.6C766 E770C766-D768 PolarHBondContact O-N 2.88Å; D768-E770 PolarHBondContact O-N 3.38Å
769M29.9Very low33.1Very low185 Ų185128.8 Ų128.891%0.91168%0.682SS**  trans-79.594.9159.6-83.8-73.5-174.500107.4Q767Q767-M769 PolarHBondContact O-N 3.41Å; Q767-M769 VanDerWaalsContact O-N 3.16Å
770E25.4Very low34.2Very low168 Ų168123.3 Ų123.379%0.78567%0.665SS**  trans-54.7135.7172.7-72.2-173.1114.100110.5D768D768-E770 PolarHBondContact O-N 3.38Å
771P34.1Very low35.5Very low115 Ų115118.7 Ų118.775%0.74766%0.655SS**  trans-62.7140.1171.627.8-33.7000109.6A773P771-A773 VanDerWaalsContact C-N 3.34Å; P771-A773 PolarHBondContact O-N 2.8Å
772Y36.1Very low37.6Very low190 Ų190117.3 Ų117.375%0.74564%0.638SS**  trans-59.685.2-173.5-85-107.6000113.2
773A31Very low39.9Very low95 Ų95117.1 Ų117.179%0.78563%0.629SS**  trans-109.341.7176.900000111.6P771 G775P771-A773 VanDerWaalsContact C-N 3.34Å; P771-A773 PolarHBondContact O-N 2.8Å; A773-G775 PolarHBondContact O-N 2.95Å
774N35.7Very low42.9Very low91 Ų91115.1 Ų115.149%0.48761%0.61SS.*  trans-72.296.8-179.6-149.619.1000109.3Q301 A776Q301-N774 PolarHBondContact OE1-ND2 3.29Å; N774-A776 PolarHBondContact O-N 3.13Å
775G39.9Very low45.7Very low73 Ų73105 Ų10575%0.75357%0.571SS**THydrogen-bonded Turntrans-66.928.2-173.300000116.8A773A773-G775 PolarHBondContact O-N 2.95Å
776A45.3Very low48.6Very low16 Ų16101.6 Ų101.613%0.13255%0.545CS..THydrogen-bonded Turntrans-82.3-12.8179.900000113.8N774 Y787 N788 P791N774-A776 PolarHBondContact O-N 3.13Å; A776-Y787 HydrophobicContact CB-CE2 4.11Å; A776-Y787 VanDerWaalsContact O-CD2 3.28Å; A776-Y787 WeakPolarHBondContact O-CD2 3.39Å; A776-N788 PolarHBondContact O-N 3.02Å; A776-P791 HydrophobicContact CB-CB 4.45Å
777Y50.7Low51.7Low55 Ų5597.1 Ų97.122%0.21651%0.514CS..EExtended strand (participates in β ladder)trans-117.3128.5176.7-178.5-135.5000111.8W293 I297 Y779 H786 Y787W293-Y777 AromaticContact CE2-CE2 3.58Å; W293-Y777 AromaticContact CZ2-CD2 3.83Å; W293-Y777 HydrophobicContact CZ2-CD2 3.83Å; W293-Y777 AromaticContact CZ2-CE2 3.4Å; W293-Y777 HydrophobicContact CZ2-CE2 3.4Å; W293-Y777 AromaticContact NE1-CE2 3.2Å; W293-Y777 AromaticContact NE1-CZ 3.16Å; W293-Y777 PolarHBondContact NE1-OH 3.32Å; I297-Y777 HydrophobicContact CD1-CD1 3.73Å; I297-Y777 HydrophobicContact CD1-CD2 4.43Å; I297-Y777 HydrophobicContact CD1-CE1 3.8Å; I297-Y777 HydrophobicContact CD1-CG 4.09Å; Y777-Y779 HydrophobicContact CD1-CD2 4.45Å; Y777-Y779 HydrophobicContact CE1-CD1 4.48Å; Y777-Y779 AromaticContact CE1-CD2 3.41Å; Y777-Y779 HydrophobicContact CE1-CD2 3.41Å; Y777-Y779 VanDerWaalsContact CE1-CD2 3.41Å; Y777-Y779 AromaticContact CE1-CE2 3.48Å; Y777-Y779 HydrophobicContact CE1-CE2 3.48Å; Y777-Y779 VanDerWaalsContact CE1-CE2 3.48Å; Y777-Y779 AromaticContact CE1-CG 3.94Å; Y777-Y779 HydrophobicContact CE1-CG 3.94Å; Y777-Y779 AromaticContact CZ-CD1 3.98Å; Y777-Y779 AromaticContact CZ-CD2 3.74Å; Y777-Y779 AromaticContact CZ-CE2 3.89Å; Y777-Y779 AromaticContact CZ-CG 3.77Å; Y777-Y779 WeakPolarHBondContact OH-CD1 3.45Å; Y777-Y779 WeakPolarHBondContact OH-CD2 3.4Å; Y777-Y779 WeakPolarHBondContact OH-CE1 3.3Å; Y777-Y779 WeakPolarHBondContact OH-CE2 3.43Å; Y777-H786 VanDerWaalsContact CD2-O 3.31Å; Y777-H786 WeakPolarHBondContact CD2-O 3.13Å; Y777-Y787 HydrophobicContact CD2-CD2 4.28Å; Y777-Y787 HydrophobicContact CG-CD2 4.3Å
778V49.7Very low54.6Low82 Ų8290 Ų9050%0.49748%0.481SS..EExtended strand (participates in β ladder)trans-118.5113.5172.1-178.70000109.2E780 G785 H786V778-E780 PolarHBondContact O-N 3.43Å; V778-G785 WeakPolarHBondContact O-CA 3.07Å; V778-H786 PolarHBondContact N-O 3.47Å; V778-H786 PolarHBondContact O-N 3.01Å
779Y54.7Low57.3Low90 Ų9083.7 Ų83.735%0.35345%0.448SS..EExtended strand (participates in β ladder)trans-70.9102.1154.5-94.7-63.2000107.1Q61 F250 Y777Q61-Y779 PolarHBondContact NE2-OH 3.36Å; F250-Y779 HydrophobicContact CE1-CE1 4.21Å; F250-Y779 HydrophobicContact CZ-CE1 4.25Å; Y777-Y779 HydrophobicContact CD1-CD2 4.45Å; Y777-Y779 HydrophobicContact CE1-CD1 4.48Å; Y777-Y779 AromaticContact CE1-CD2 3.41Å; Y777-Y779 HydrophobicContact CE1-CD2 3.41Å; Y777-Y779 VanDerWaalsContact CE1-CD2 3.41Å; Y777-Y779 AromaticContact CE1-CE2 3.48Å; Y777-Y779 HydrophobicContact CE1-CE2 3.48Å; Y777-Y779 VanDerWaalsContact CE1-CE2 3.48Å; Y777-Y779 AromaticContact CE1-CG 3.94Å; Y777-Y779 HydrophobicContact CE1-CG 3.94Å; Y777-Y779 AromaticContact CZ-CD1 3.98Å; Y777-Y779 AromaticContact CZ-CD2 3.74Å; Y777-Y779 AromaticContact CZ-CE2 3.89Å; Y777-Y779 AromaticContact CZ-CG 3.77Å; Y777-Y779 WeakPolarHBondContact OH-CD1 3.45Å; Y777-Y779 WeakPolarHBondContact OH-CD2 3.4Å; Y777-Y779 WeakPolarHBondContact OH-CE1 3.3Å; Y777-Y779 WeakPolarHBondContact OH-CE2 3.43Å
780E51.4Low59.6Low131 Ų13177.8 Ų77.861%0.61242%0.42SS*.EExtended strand (participates in β ladder)trans-77.6-33.8175.4-163.5168.7-154.600110V778 E784V778-E780 PolarHBondContact O-N 3.43Å; E780-E784 PolarHBondContact N-O 3.47Å
781N57.3Low61.2Low108 Ų10872.5 Ų72.558%0.57840%0.4SS*.EExtended strand (participates in β ladder)trans-155.1175162.2-86.3-77.2000109.9V783 E784N781-V783 HydrophobicContact CB-CG2 3.86Å; N781-V783 PolarHBondContact O-N 2.85Å; N781-E784 PolarHBondContact N-O 3.02Å; N781-E784 VanDerWaalsContact N-O 3.15Å; N781-E784 PolarHBondContact O-N 2.66Å
782E67.9Low61.7Low119 Ų11971.6 Ų71.656%0.55640%0.397SS*.THydrogen-bonded Turntrans-56.6-22.9169.7-76.4-134.999.200113.8H286 K290H286-E782 PolarHBondContact CE1-O 3.23Å; K290-E782 IonicContact NZ-OE1 3.25Å; K290-E782 PolarHBondContact NZ-OE1 3.28Å
783V76.3Confident61.8Low70 Ų7073.3 Ų73.342%0.42440%0.404SS..THydrogen-bonded Turntrans-95.8-12.4-176.6-63.50000114.6F250 R251 E252 N781F250-V783 VanDerWaalsContact CE2-C 3.43Å; F250-V783 WeakPolarHBondContact CE2-O 3.39Å; R251-V783 CarbonylContact C-O 3.55Å; R251-V783 WeakPolarHBondContact CA-O 3.3Å; E252-V783 PolarHBondContact N-O 2.79Å; N781-V783 HydrophobicContact CB-CG2 3.86Å; N781-V783 PolarHBondContact O-N 2.85Å
784E84.7Confident62Low51 Ų5177 Ų7724%0.23840%0.404CS..EExtended strand (participates in β ladder)trans-151.8139.6-174.1-174.7153.9-141.200112.3F250 R251 E780 N781F250-E784 WeakPolarHBondContact O-CA 3.4Å; R251-E784 HydrophobicContact CB-CG 4.2Å; R251-E784 WeakPolarHBondContact CD-OE1 3.35Å; R251-E784 HydrophobicContact CG-CB 4.32Å; R251-E784 HydrophobicContact CG-CG 4.15Å; R251-E784 WeakPolarHBondContact CG-OE1 3.22Å; R251-E784 IonicContact CZ-OE1 2.63Å; R251-E784 IonicContact CZ-OE2 2.8Å; R251-E784 IonicContact NE-OE1 3.77Å; R251-E784 IonicContact NE-OE2 2.75Å; R251-E784 IonicContact NH1-OE1 3.89Å; R251-E784 PolarHBondContact NH1-OE1 3.32Å; R251-E784 IonicContact NH1-OE2 2.8Å; R251-E784 PolarHBondContact NH1-OE2 2.79Å; R251-E784 IonicContact NH2-OE2 2.83Å; E780-E784 PolarHBondContact N-O 3.47Å; N781-E784 PolarHBondContact N-O 3.02Å; N781-E784 VanDerWaalsContact N-O 3.15Å; N781-E784 PolarHBondContact O-N 2.66Å
785G85.1Confident61.5Low3 Ų381.4 Ų81.43%0.03142%0.424CS..EExtended strand (participates in β ladder)trans-157.4148.2-17800000113.7F250 V778F250-G785 VanDerWaalsContact CE1-N 3.32Å; F250-G785 PolarHBondContact N-O 3.27Å; F250-G785 PolarHBondContact O-N 2.98Å; V778-G785 WeakPolarHBondContact O-CA 3.07Å
786H88.9Confident61.1Low72 Ų7285.4 Ų85.433%0.33343%0.429SS..EExtended strand (participates in β ladder)trans-124.5134.6-176.6-174.5-66.6000110N247 Y249 Y777 V778 N788N247-H786 VanDerWaalsContact CG-NE2 3.3Å; N247-H786 PolarHBondContact OD1-NE2 3Å; Y249-H786 AromaticContact CD1-CD2 3.59Å; Y249-H786 AromaticContact CE1-CD2 3.24Å; Y249-H786 WeakPolarHBondContact CE1-CD2 3.33Å; Y777-H786 VanDerWaalsContact CD2-O 3.31Å; Y777-H786 WeakPolarHBondContact CD2-O 3.13Å; V778-H786 PolarHBondContact N-O 3.47Å; V778-H786 PolarHBondContact O-N 3.01Å; H786-N788 PolarHBondContact CE1-N 3.37Å
787Y88.8Confident60.2Low7 Ų787.7 Ų87.73%0.02745%0.453CS..EExtended strand (participates in β ladder)trans-135.5123.2176.9-177.8-112000110.7N247 L248 I297 H300 A776 Y777 V789N247-Y787 WeakPolarHBondContact CA-O 3.32Å; L248-Y787 HydrophobicContact CD1-CD1 3.85Å; L248-Y787 HydrophobicContact CG-CD1 4.12Å; L248-Y787 PolarHBondContact N-O 2.92Å; L248-Y787 PolarHBondContact O-N 3.1Å; L248-Y787 VanDerWaalsContact O-N 3.09Å; I297-Y787 HydrophobicContact CB-CD1 4.26Å; I297-Y787 HydrophobicContact CB-CD2 4.34Å; I297-Y787 HydrophobicContact CB-CE1 4.24Å; I297-Y787 HydrophobicContact CB-CE2 4.34Å; I297-Y787 HydrophobicContact CB-CG 4.28Å; I297-Y787 HydrophobicContact CG2-CD1 3.7Å; I297-Y787 HydrophobicContact CG2-CD2 4.04Å; I297-Y787 HydrophobicContact CG2-CE1 4.18Å; I297-Y787 HydrophobicContact CG2-CE2 4.5Å; I297-Y787 HydrophobicContact CG2-CG 3.59Å; H300-Y787 HydrophobicContact CB-CE1 4.07Å; H300-Y787 AromaticContact CD2-CE1 3.66Å; H300-Y787 AromaticContact CD2-CZ 3.98Å; H300-Y787 PolarHBondContact CD2-OH 3.05Å; A776-Y787 HydrophobicContact CB-CE2 4.11Å; A776-Y787 VanDerWaalsContact O-CD2 3.28Å; A776-Y787 WeakPolarHBondContact O-CD2 3.39Å; Y777-Y787 HydrophobicContact CD2-CD2 4.28Å; Y777-Y787 HydrophobicContact CG-CD2 4.3Å; Y787-V789 HydrophobicContact CD1-CG2 4.28Å; Y787-V789 HydrophobicContact CE1-CG2 4.48Å
788N87.4Confident59.3Low37 Ų3795.5 Ų95.520%0.19848%0.484CS..EExtended strand (participates in β ladder)trans-92.1122.2174.3-169.6-47.6000109.5E246 N247 A776 H786 N790E246-N788 PolarHBondContact O-OD1 2.88Å; N247-N788 PolarHBondContact OD1-ND2 2.71Å; A776-N788 PolarHBondContact O-N 3.02Å; H786-N788 PolarHBondContact CE1-N 3.37Å; N788-N790 WeakPolarHBondContact OD1-CA 3.23Å; N788-N790 PolarHBondContact OD1-N 3.11Å; N788-N790 PolarHBondContact OD1-O 3.24Å
789V82.8Confident58.3Low0 Ų0100.9 Ų100.90%050%0.503CS..SBendtrans-76.2-30.7-177.2-179.90000111.2W242 L245 E246 L248 H300 Y787 P791W242-V789 WeakPolarHBondContact O-CG1 3.47Å; L245-V789 HydrophobicContact CB-CB 4.31Å; L245-V789 HydrophobicContact CB-CG1 3.95Å; L245-V789 HydrophobicContact CB-CG2 3.89Å; L245-V789 WeakPolarHBondContact O-CG1 3.22Å; E246-V789 WeakPolarHBondContact O-CB 3.28Å; E246-V789 PolarHBondContact O-N 3.19Å; L248-V789 HydrophobicContact CD2-CG2 4.08Å; L248-V789 HydrophobicContact CG-CG2 3.92Å; H300-V789 WeakPolarHBondContact CE1-CG1 3.41Å; H300-V789 WeakPolarHBondContact NE2-CG1 3.27Å; H300-V789 PolarHBondContact NE2-O 3.2Å; Y787-V789 HydrophobicContact CD1-CG2 4.28Å; Y787-V789 HydrophobicContact CE1-CG2 4.48Å; V789-P791 VanDerWaalsContact O-CD 3.28Å; V789-P791 WeakPolarHBondContact O-CD 3.34Å
790N78.9Confident57Low61 Ų6199.8 Ų99.833%0.32652%0.519SS..  trans-119.766.3-178.4-64-51.7000111L245 N788 S792L245-N790 PolarHBondContact O-ND2 3.33Å; N788-N790 WeakPolarHBondContact OD1-CA 3.23Å; N788-N790 PolarHBondContact OD1-N 3.11Å; N788-N790 PolarHBondContact OD1-O 3.24Å; N790-S792 PolarHBondContact O-N 3.31Å
791P57.9Low56Low57 Ų57102.5 Ų102.537%0.3753%0.532SS..  trans-60.5-19.4-176.224.7-35000113.6A776 V789 Y793A776-P791 HydrophobicContact CB-CB 4.45Å; V789-P791 VanDerWaalsContact O-CD 3.28Å; V789-P791 WeakPolarHBondContact O-CD 3.34Å; P791-Y793 PolarHBondContact O-N 3.3Å
792S44.6Very low54.5Low96 Ų96104.8 Ų104.867%0.67154%0.544SS*.THydrogen-bonded Turntrans-74.361.3178.263.60000113.8N790N790-S792 PolarHBondContact O-N 3.31Å
793Y38.8Very low52.7Low226 Ų226110.4 Ų110.489%0.88656%0.56SS**THydrogen-bonded Turntrans-158.9-3.2154.4-105.2-60.1000116.8P791P791-Y793 PolarHBondContact O-N 3.3Å
794Q34.8Very low50.4Low171 Ų171116 Ų11680%0.79958%0.579SS**  trans-116.518.4-177.4-67.8-166.9-4.300115.7N796Q794-N796 PolarHBondContact O-N 3.26Å
795M26.7Very low47.7Very low185 Ų185124.7 Ų124.791%0.91161%0.609SS**THydrogen-bonded Turntrans-84.349.8178.2-156.266.8169.200113.5
796N30.4Very low45Very low157 Ų157132 Ų13284%0.8464%0.643SS**THydrogen-bonded Turntrans-163.336163.6-124-3.4000114.3Q794Q794-N796 PolarHBondContact O-N 3.26Å
797G27.4Very low42.1Very low63 Ų63139.2 Ų139.265%0.64967%0.669SS**  trans-100.6117.8169.700000111.2H799G797-H799 PolarHBondContact O-N 2.77Å; G797-H799 VanDerWaalsContact O-N 3.1Å
798Y31.4Very low39.2Very low220 Ų220145.1 Ų145.186%0.86371%0.711SS**  trans-69.3102.7175.2-85.3-100.8000111.1
799H27.7Very low36.4Very low194 Ų194148.3 Ų148.390%0.89874%0.736SS**  trans-14068.4165.4-87.2-49.9000112G797G797-H799 PolarHBondContact O-N 2.77Å; G797-H799 VanDerWaalsContact O-N 3.1Å
800G27.1Very low33.9Very low67 Ų67155.7 Ų155.769%0.69178%0.775SS**  trans-106.3112.7161.100000109.5
801H30.2Very low31.5Very low189 Ų189156.3 Ų156.388%0.87580%0.796SS**  trans51.4112.6176.4-56.3-50.7000118
802D27.8Very low30.3Very low156 Ų156157.7 Ų157.783%0.83481%0.812SS**  -158.9128.1112.9-132.3-25.4000113.2
803R28.9Very low29.7Very low237 Ų237160.6 Ų160.689%0.89482%0.82SS**  trans-166.293.2166.3-80.7-158.5-175.7173.43.8110.3
804F28.8Very low29.1Very low187 Ų187154.5 Ų154.582%0.8281%0.811SS**  -171.2151.3126.4-113-71.4000112.1
805R28.3Very low29Very low233 Ų233153.9 Ų153.988%0.87981%0.812SS**  trans70.1157.8-178.5-57.7-173.7175.3-162.7-1.2115.7
806H26.9Very low29.2Very low157 Ų157149.9 Ų149.973%0.72780%0.803SS**  cis-173.5141.9-49.3-113.7-74000105.8
807Y29.3Very low29.3Very low224 Ų224150.6 Ų150.688%0.87880%0.801SS**  trans0.1118.2169.7-82.5-93.9000119.7
808S26.8Very low29.6Very low131 Ų131154 Ų15492%0.91680%0.804SS**  trans-150.2159.4139.9-81.90000109.6
809S28.8Very low29.8Very low103 Ų103149.4 Ų149.472%0.7280%0.801SS**  trans-103.8168.7-159.2-166.40000114.4
810N30.7Very low30.1Very low156 Ų156150.6 Ų150.683%0.83480%0.799SS**  trans84.4130.7162.1-54.3-7.4000118.1
811G28.3Very low30.5Very low74 Ų74152 Ų15276%0.76381%0.805SS**  135.977.9127.500000118.5
812A32.2Very low30.7Very low86 Ų86149.4 Ų149.471%0.71180%0.802SS**  trans57.7128.5150.300000121
813D31.5Very low30.9Very low157 Ų157148.9 Ų148.984%0.8480%0.804SS**  49.4143.8125.2-55.1-20.7000122.8
814S27.4Very low31Very low98 Ų98148.7 Ų148.769%0.68580%0.803SS**  cis-169.8174.5-22.6-159.10000109.3
815L32.1Very low31.5Very low157 Ų157145.1 Ų145.182%0.82280%0.799SS**  trans55.8103.6160.9-67.8166.8000119.1
816S31.6Very low31.5Very low102 Ų102140.2 Ų140.271%0.71380%0.797SS**  trans-68.6153.5150.655.60000112.1
817Q31.8Very low31.9Very low171 Ų171144.1 Ų144.180%0.79981%0.806SS**  -178.4125.5130-100.4166.332.500116.5
818N35Very low31.9Very low135 Ų135139.1 Ų139.172%0.72280%0.803SS**  trans32.6111.9133.7-58.2-23.3000120.9Y820N818-Y820 VanDerWaalsContact C-N 3.31Å; N818-Y820 PolarHBondContact O-N 2.65Å; N818-Y820 VanDerWaalsContact O-N 3.09Å
819P35.2Very low32Very low124 Ų124143.4 Ų143.481%0.80580%0.8SS**SBendtrans-85.536.3-18037.5-38.5000115.2
820Y33.4Very low32.1Very low218 Ų218147.2 Ų147.286%0.85581%0.806SS**  trans-136.476.5178.3-88.2-77.8000112.9N818N818-Y820 VanDerWaalsContact C-N 3.31Å; N818-Y820 PolarHBondContact O-N 2.65Å; N818-Y820 VanDerWaalsContact O-N 3.09Å
821A34.8Very low32.3Very low97 Ų97143 Ų14380%0.80280%0.8SS**  trans-129.1119.2164.400000109.4
822T34.6Very low33.1Very low135 Ų135146 Ų14683%0.82881%0.806SS**  trans-107.9110.9-175.249.30000111.9
823V33.2Very low33.9Very low144 Ų144153.3 Ų153.387%0.87382%0.815SS**  trans-138.3142.7167.7-169.30000109.5
824R30.5Very low34.5Very low233 Ų233152.7 Ų152.788%0.87981%0.811SS**  trans-123.5168.8170.7-58174.8172.2164-5.3108.1
825P39.8Very low35.4Very low112 Ų112154.6 Ų154.673%0.72781%0.809SS**  -127.5179.8-63.639.1-24.8000110.7
826P27.6Very low36.2Very low130 Ų130153.9 Ų153.984%0.84481%0.806SS**  trans-126.1164.8137.536.1-29.5000113.1
827R35.7Very low36.8Very low240 Ų240154.8 Ų154.891%0.90680%0.802SS**  trans-93.3136.3-178.7-65.7170165.9133.9-9.9111.3
828S29Very low37.6Very low118 Ų118149 Ų14983%0.82578%0.784SS**  trans177.7149.8130.440.10000114.2
829R29.5Very low38.5Very low222 Ų222148.1 Ų148.184%0.83877%0.773SS**  trans38.5107155.5-71.9-175.8161.4148.2-3121.7
830E31.3Very low39.4Very low183 Ų183147.1 Ų147.186%0.85576%0.761SS**  44.8111114.6-63.2164.6135.600119.8
831G33.5Very low40.4Very low68 Ų68142.2 Ų142.270%0.70175%0.747SS**  trans-168147.4166.400000110.6
832P46.5Very low41.4Very low137 Ų137143.7 Ų143.789%0.8974%0.738SS**  trans-79.1140.3-160.529.4-35.6000115.3
833R47.4Very low42.6Very low239 Ų239145 Ų14590%0.90273%0.732SS**  trans-95.9135.5164.7-66.3174.1172.4170.9-3.4109.4
834N45.4Very low43.9Very low144 Ų144140.9 Ų140.977%0.7771%0.713SS**  trans-155.7-26.2157.2-116.1-18000117
835E45.3Very low45.5Very low137 Ų137134.8 Ų134.864%0.6470%0.698SS**Hα-helixtrans-71.1-34.4-174.7-92.2-154.19100116.1L837 K839E835-L837 VanDerWaalsContact C-N 3.29Å; E835-L837 PolarHBondContact O-N 3.21Å; E835-K839 WeakPolarHBondContact OE1-CE 3.21Å; E835-K839 IonicContact OE1-NZ 3.18Å; E835-K839 PolarHBondContact OE1-NZ 2.89Å
836L48.5Very low46.9Very low143 Ų143133.9 Ų133.975%0.74969%0.69SS**Hα-helixtrans-76.7-16.1-169.6-146.877.7000113.7N840L836-N840 PolarHBondContact O-ND2 3.4Å
837L43.9Very low48.9Very low120 Ų120129.5 Ų129.563%0.62866%0.664SS**Hα-helixtrans-79.4-46.8-179.5-147.175.7000111.1E835 K839 N840 M841E835-L837 VanDerWaalsContact C-N 3.29Å; E835-L837 PolarHBondContact O-N 3.21Å; L837-K839 PolarHBondContact O-N 3.09Å; L837-N840 PolarHBondContact O-N 2.97Å; L837-N840 VanDerWaalsContact O-N 3.15Å; L837-M841 WeakPolarHBondContact O-CG 3.46Å; L837-M841 PolarHBondContact O-N 3.21Å
838A49.1Very low50.2Low51 Ų51123.8 Ų123.842%0.42165%0.648SS.*Hα-helixtrans-57.5-45.5-178.700000112.8N840 M841 Q842A838-N840 PolarHBondContact O-N 3.07Å; A838-M841 PolarHBondContact O-N 2.92Å; A838-M841 VanDerWaalsContact O-N 3.14Å; A838-Q842 PolarHBondContact O-N 3.31Å
839K55Low51.9Low116 Ų116124.6 Ų124.650%0.50464%0.639SS.*Hα-helixtrans-65-26.2-179.1-66.1171.3-172.4168.40112.8E835 L837E835-K839 WeakPolarHBondContact OE1-CE 3.21Å; E835-K839 IonicContact OE1-NZ 3.18Å; E835-K839 PolarHBondContact OE1-NZ 2.89Å; L837-K839 PolarHBondContact O-N 3.09Å
840N53.5Low53.6Low102 Ų102119.4 Ų119.455%0.54563%0.627SS.*Hα-helixtrans-83.5-37.9171.7-78.3-44.7000112.5L836 L837 A838 Q842 K843 A844L836-N840 PolarHBondContact O-ND2 3.4Å; L837-N840 PolarHBondContact O-N 2.97Å; L837-N840 VanDerWaalsContact O-N 3.15Å; A838-N840 PolarHBondContact O-N 3.07Å; N840-Q842 VanDerWaalsContact C-N 3.34Å; N840-Q842 PolarHBondContact O-N 3.49Å; N840-K843 PolarHBondContact O-N 2.93Å; N840-A844 PolarHBondContact O-N 3.43Å
841M54.7Low55.3Low115 Ų115117.5 Ų117.557%0.56761%0.612SS**Hα-helixtrans-60.9-41.4174.7-69.4-178.677.900111.9L837 A838 K843 A844 L845L837-M841 WeakPolarHBondContact O-CG 3.46Å; L837-M841 PolarHBondContact O-N 3.21Å; A838-M841 PolarHBondContact O-N 2.92Å; A838-M841 VanDerWaalsContact O-N 3.14Å; M841-K843 PolarHBondContact O-N 3.23Å; M841-A844 PolarHBondContact O-N 2.91Å; M841-L845 WeakPolarHBondContact O-CB 2.98Å; M841-L845 VanDerWaalsContact O-CG 3.31Å; M841-L845 WeakPolarHBondContact O-CG 3.29Å; M841-L845 PolarHBondContact O-N 2.6Å
842Q54.5Low56.5Low129 Ų129115.1 Ų115.160%0.60359%0.588SS**Hα-helixtrans-63.9-38175.8-74.5174.3-56.300112.9A838 N840 L845 V846A838-Q842 PolarHBondContact O-N 3.31Å; N840-Q842 VanDerWaalsContact C-N 3.34Å; N840-Q842 PolarHBondContact O-N 3.49Å; Q842-L845 PolarHBondContact O-N 3.36Å; Q842-V846 WeakPolarHBondContact O-CG2 3.44Å; Q842-V846 PolarHBondContact O-N 3.49Å
843K60.4Low57.1Low161 Ų161116.1 Ų116.170%0.757%0.574SS**Hα-helixtrans-66.3-39.3172.8-77.9-172.1174.3-1760112.6N840 M841 A847N840-K843 PolarHBondContact O-N 2.93Å; M841-K843 PolarHBondContact O-N 3.23Å; K843-A847 WeakPolarHBondContact O-CB 3.48Å; K843-A847 PolarHBondContact O-N 3.18Å; K843-A847 VanDerWaalsContact O-N 3.1Å
844A60.9Low57Low59 Ų59113.2 Ų113.249%0.48856%0.564SS.*Hα-helixtrans-63.8-45.8175.300000111.8N840 M841 V846 A847 E848N840-A844 PolarHBondContact O-N 3.43Å; M841-A844 PolarHBondContact O-N 2.91Å; A844-V846 PolarHBondContact O-N 3.32Å; A844-A847 PolarHBondContact O-N 3.14Å; A844-E848 PolarHBondContact O-N 2.91Å
845L64.6Low57.3Low105 Ų105113.3 Ų113.355%0.5556%0.56SS.*Hα-helixtrans-59.8-45.1177.1-75.5165.9000112.1M841 Q842 E848 H849M841-L845 WeakPolarHBondContact O-CB 2.98Å; M841-L845 VanDerWaalsContact O-CG 3.31Å; M841-L845 WeakPolarHBondContact O-CG 3.29Å; M841-L845 PolarHBondContact O-N 2.6Å; Q842-L845 PolarHBondContact O-N 3.36Å; L845-E848 PolarHBondContact O-N 3.47Å; L845-H849 WeakPolarHBondContact O-CB 3.21Å; L845-H849 PolarHBondContact O-N 3.01Å
846V69.5Low57.4Low92 Ų92114.3 Ų114.356%0.55856%0.558SS**Hα-helixtrans-63.8-42.2176.7170.90000111.6Q842 A844 E848 H849 L850Q842-V846 WeakPolarHBondContact O-CG2 3.44Å; Q842-V846 PolarHBondContact O-N 3.49Å; A844-V846 PolarHBondContact O-N 3.32Å; V846-E848 VanDerWaalsContact C-N 3.31Å; V846-E848 PolarHBondContact O-N 2.91Å; V846-H849 PolarHBondContact O-N 2.93Å; V846-L850 HydrophobicContact CG1-CD1 4.14Å; V846-L850 WeakPolarHBondContact O-CG 3.46Å; V846-L850 PolarHBondContact O-N 3.15Å
847A67.8Low57.1Low38 Ų38111.7 Ų111.731%0.31455%0.551SS.*Hα-helixtrans-65-34.3177.100000112.6K843 A844 R851K843-A847 WeakPolarHBondContact O-CB 3.48Å; K843-A847 PolarHBondContact O-N 3.18Å; K843-A847 VanDerWaalsContact O-N 3.1Å; A844-A847 PolarHBondContact O-N 3.14Å; A847-R851 WeakPolarHBondContact O-CG 3.48Å; A847-R851 PolarHBondContact O-N 2.84Å
848E62.9Low57.2Low121 Ų121114.8 Ų114.857%0.56556%0.559SS**Hα-helixtrans-73.8-38.7172.8-170169.3-123.100112.3A844 L845 V846 L850 R851 G852A844-E848 PolarHBondContact O-N 2.91Å; L845-E848 PolarHBondContact O-N 3.47Å; V846-E848 VanDerWaalsContact C-N 3.31Å; V846-E848 PolarHBondContact O-N 2.91Å; E848-L850 VanDerWaalsContact C-N 3.31Å; E848-L850 PolarHBondContact O-N 3.24Å; E848-R851 PolarHBondContact O-N 2.6Å; E848-G852 PolarHBondContact O-N 3.04Å
849H65.6Low56.7Low135 Ų135115.6 Ų115.663%0.62557%0.573SS**Hα-helixtrans-61.6-39.6176.9-134.890.7000112.1L845 V846 G852 W853L845-H849 WeakPolarHBondContact O-CB 3.21Å; L845-H849 PolarHBondContact O-N 3.01Å; V846-H849 PolarHBondContact O-N 2.93Å; H849-G852 PolarHBondContact O-N 2.86Å; H849-W853 WeakPolarHBondContact O-CB 3.34Å; H849-W853 PolarHBondContact O-N 2.88Å
850L65.8Low55.8Low112 Ų112118.6 Ų118.659%0.58659%0.588SS**Hα-helixtrans-66.8-44.1174-74.3166.6000112.2V846 E848 G852 W853 Y854V846-L850 HydrophobicContact CG1-CD1 4.14Å; V846-L850 WeakPolarHBondContact O-CG 3.46Å; V846-L850 PolarHBondContact O-N 3.15Å; E848-L850 VanDerWaalsContact C-N 3.31Å; E848-L850 PolarHBondContact O-N 3.24Å; L850-G852 VanDerWaalsContact C-N 3.32Å; L850-G852 PolarHBondContact O-N 3.27Å; L850-W853 PolarHBondContact O-N 2.81Å; L850-Y854 PolarHBondContact O-N 3.18Å
851R66.3Low54.9Low143 Ų143122.8 Ų122.854%0.5460%0.597SS.*Hα-helixtrans-59.7-43.2172.5-75.8-173.2-64.8-93.50.9111.6A847 E848 Y854 H855A847-R851 WeakPolarHBondContact O-CG 3.48Å; A847-R851 PolarHBondContact O-N 2.84Å; E848-R851 PolarHBondContact O-N 2.6Å; R851-Y854 PolarHBondContact O-N 2.91Å; R851-H855 PolarHBondContact O-N 3.34Å; R851-H855 VanDerWaalsContact O-N 3.12Å; R851-H855 PolarHBondContact O-ND1 2.67Å
852G58.5Low54Low19 Ų19125.9 Ų125.920%0.19661%0.61CS.*Hα-helixtrans-64.5-39176.400000113E848 H849 L850 H855 R856E848-G852 PolarHBondContact O-N 3.04Å; H849-G852 PolarHBondContact O-N 2.86Å; L850-G852 VanDerWaalsContact C-N 3.32Å; L850-G852 PolarHBondContact O-N 3.27Å; G852-H855 PolarHBondContact O-N 2.86Å; G852-R856 VanDerWaalsContact C-CZ 3.48Å; G852-R856 WeakPolarHBondContact O-CB 3.48Å; G852-R856 VanDerWaalsContact O-CG 3.3Å; G852-R856 WeakPolarHBondContact O-CG 3.28Å; G852-R856 PolarHBondContact O-N 3.2Å; G852-R856 PolarHBondContact O-NE 3.18Å
853W58.7Low53.2Low158 Ų158123.8 Ų123.860%0.59862%0.622SS**Hα-helixtrans-63-44.4174.2-171.992000111.4H849 L850 H855 R856 S857H849-W853 WeakPolarHBondContact O-CB 3.34Å; H849-W853 PolarHBondContact O-N 2.88Å; L850-W853 PolarHBondContact O-N 2.81Å; W853-H855 VanDerWaalsContact C-N 3.3Å; W853-H855 PolarHBondContact O-N 2.94Å; W853-R856 PolarHBondContact O-N 3.14Å; W853-S857 WeakPolarHBondContact O-CB 3.25Å; W853-S857 PolarHBondContact O-N 2.87Å
854Y46.9Very low51.9Low177 Ų177119.7 Ų119.769%0.69463%0.626SS**Hα-helixtrans-63.8-32.3178.3-143.3-92.4000113.3L850 R851L850-Y854 PolarHBondContact O-N 3.18Å; R851-Y854 PolarHBondContact O-N 2.91Å
855H51Low50.6Low147 Ų147128.7 Ų128.768%0.68165%0.647SS**Hα-helixtrans-77.9-39.2173.2-72.775.6000112.4R851 G852 W853 S857 K858R851-H855 PolarHBondContact O-N 3.34Å; R851-H855 VanDerWaalsContact O-N 3.12Å; R851-H855 PolarHBondContact O-ND1 2.67Å; G852-H855 PolarHBondContact O-N 2.86Å; W853-H855 VanDerWaalsContact C-N 3.3Å; W853-H855 PolarHBondContact O-N 2.94Å; H855-S857 VanDerWaalsContact C-N 3.26Å; H855-S857 PolarHBondContact O-N 2.98Å; H855-K858 PolarHBondContact O-N 3.06Å
856R47.5Very low49.1Very low158 Ų158127 Ų12760%0.59666%0.655SS**Hα-helixtrans-64.5-28.8175.4-74.9-176.4-65-99.58.4113.1G852 W853 K858G852-R856 VanDerWaalsContact C-CZ 3.48Å; G852-R856 WeakPolarHBondContact O-CB 3.48Å; G852-R856 VanDerWaalsContact O-CG 3.3Å; G852-R856 WeakPolarHBondContact O-CG 3.28Å; G852-R856 PolarHBondContact O-N 3.2Å; G852-R856 PolarHBondContact O-NE 3.18Å; W853-R856 PolarHBondContact O-N 3.14Å; R856-K858 PolarHBondContact O-N 3.32Å
857S42.9Very low47.4Very low88 Ų88130.4 Ų130.462%0.61567%0.67SS**THydrogen-bonded Turntrans-74.91176.1-156.10000114.1W853 H855W853-S857 WeakPolarHBondContact O-CB 3.25Å; W853-S857 PolarHBondContact O-N 2.87Å; H855-S857 VanDerWaalsContact C-N 3.26Å; H855-S857 PolarHBondContact O-N 2.98Å
858K45.4Very low45.6Very low184 Ų184136.1 Ų136.180%0.869%0.692SS**SBendtrans-128.660.7-170.5-155.8-177.9-178.6-176.30114.7H855 R856H855-K858 PolarHBondContact O-N 3.06Å; R856-K858 PolarHBondContact O-N 3.32Å
859G38.3Very low44Very low68 Ų68136 Ų13670%0.70170%0.698SS**  trans143.191.5151.800000118.1
860H36.2Very low42.3Very low180 Ų180132.1 Ų132.183%0.83370%0.696SS**  trans-171.8139155.6-127.1-122000108.4
861R34.3Very low40.4Very low190 Ų190136.8 Ų136.872%0.71771%0.707SS**  cis-159.9168.6-15.7-138.6-167-155162.79.5109.7
862E36.7Very low38.6Very low180 Ų180136 Ų13684%0.84171%0.714SS**  trans-84.3166.7171-55.4138.5106.200113.4
863G37.5Very low37.1Very low84 Ų84143.6 Ų143.687%0.86674%0.741SS**  trans106.8126.3130.700000118.2
864G31.8Very low35.6Very low76 Ų76141.7 Ų141.778%0.78474%0.743SS**  trans-176.578.3175.200000116.3
865R35Very low34.6Very low247 Ų247138 Ų13893%0.93274%0.744SS**  trans25.8134.1153.9-44.8-177.7-160.2-83.80.7119.8
866G33.1Very low33.4Very low69 Ų69134.5 Ų134.571%0.71175%0.746SS**  cis108.9109.5-1.500000114.5
867L32.4Very low32.6Very low165 Ų165131.9 Ų131.986%0.86475%0.753SS**  trans-174.4147.8168-127.369.3000105.3
868M31.1Very low31.9Very low158 Ų158135.4 Ų135.478%0.77876%0.759SS**SBendcis-157.2156.3-12.6-134.9167.958.500105
869V29.9Very low31.2Very low117 Ų117133.3 Ų133.371%0.70976%0.756SS**SBendcis-131.1148.89.8-179.40000106.9
870G28.2Very low30.6Very low55 Ų55134.8 Ų134.857%0.56776%0.756SS**  cis164.8-177.3-2.700000110.7
871Y27.6Very low30.3Very low209 Ų209134.6 Ų134.682%0.8276%0.76SS**  trans65.7127.7-178.5-56.1-81.6000116.8
872D27.2Very low29.8Very low128 Ų128128.6 Ų128.668%0.68476%0.757SS**  cis-159167.6-27.4-124.5-23.8000112.5
873F27.1Very low29.3Very low177 Ų177130 Ų13078%0.77676%0.756SS**  trans-20.1156.2168.3-88.7-116.1000120.2
874D26.9Very low28.8Very low118 Ų118133.8 Ų133.863%0.63175%0.751SS**  cis-164.8146.5-8.7-140.226.9000109.2
875S27.1Very low28.5Very low101 Ų101136.1 Ų136.171%0.70675%0.75SS**  65.2149.997.7106.50000120.3
876G25.7Very low28.6Very low72 Ų72132.4 Ų132.474%0.74275%0.745SS**  trans84.5126.1179.800000114.6
877S29.3Very low28.8Very low104 Ų104134.7 Ų134.773%0.72775%0.748SS**  cis66.8105.99.3164.20000117.4
878Q29.5Very low28.7Very low161 Ų161131.4 Ų131.475%0.75274%0.744SS**  -179.7157.4116.2-105-16214.700116.3
879L29.4Very low28.5Very low141 Ų141127.6 Ų127.674%0.73874%0.738SS**  trans58.4142.1156.2-60.2167.3000118.5
880S26.5Very low28.4Very low98 Ų98131 Ų13169%0.68574%0.744SS**  cis86.9143.830.9-60.40000115.9
881L29.7Very low28.3Very low177 Ų177133 Ų13393%0.92775%0.749SS**  trans70.3148.3-170.3-51.2166.7000113.3
882G24.2Very low28.4Very low63 Ų63132 Ų13265%0.64975%0.751SS**  cis172.7160.3-8.300000112.3
883Y25.3Very low28.7Very low209 Ų209130.7 Ų130.782%0.8275%0.752SS**  trans46.7111.4160.4-77.9-94.3000121.4
884Q28.7Very low29.1Very low165 Ų165126.7 Ų126.777%0.77175%0.746SS**  77176.4122.1-148.7169.411.700119
885T25.6Very low29.6Very low124 Ų124131.9 Ų131.976%0.76176%0.757SS**  trans67.1102.6170.5450000119.7
886M35.7Very low29.7Very low169 Ų169132.6 Ų132.683%0.83376%0.757SS**  trans-53.8159.5132.6-67.5-83.2-76.100110.1
887P37.7Very low30.2Very low118 Ų118135 Ų13577%0.76676%0.758SS**  cis-133.1-173.521.142.4-25.6000115
888A30.9Very low30.8Very low95 Ų95134 Ų13479%0.78575%0.75SS**  trans-89.4149.9169.200000112.3
889A27.3Very low31.1Very low78 Ų78135.3 Ų135.365%0.64575%0.754SS**  trans-176.7161.3137.500000112
890F26.6Very low31.3Very low190 Ų190132.9 Ų132.983%0.83375%0.749SS**  trans66.2113.1172.3-52.3-75.6000115.8
891S26.9Very low31.9Very low97 Ų97133.2 Ų133.268%0.67875%0.751SS**  cis81.3109.133.6-51.10000115.3
892H29.9Very low32.1Very low186 Ų186130.7 Ų130.786%0.86174%0.743SS**  trans-166.3125.3139.6-85.5-44.7000106.9
893S32Very low32.5Very low101 Ų101132.6 Ų132.671%0.70675%0.746SS**  81.9129.775.5-167.80000112.6
894S36.6Very low32.9Very low93 Ų93127.7 Ų127.765%0.6574%0.742SS**  cis-170.5-176.8-8.448.30000111.5
895R36.2Very low33.2Very low228 Ų228123.9 Ų123.986%0.8674%0.739SS**  trans82.2138.2171.1-56.9-174.1170.6-168.2-4.5116.6
896T29.9Very low33.7Very low115 Ų115127.2 Ų127.271%0.70675%0.746SS**  cis-157128.4-6.890000112.4
897T36.9Very low33.6Very low123 Ų123123.7 Ų123.776%0.75574%0.738SS**  trans29.4141.8133.757.80000121.5
898S41Very low33.5Very low82 Ų82124.5 Ų124.557%0.57374%0.741SS**  cis-166.9176-6.2-80.70000106.6
899F35.4Very low33.7Very low189 Ų189123.2 Ų123.283%0.82974%0.737SS**  cis-140.6153.816.5-68.2-97.2000107.7
900S35.2Very low34.2Very low90 Ų90126.6 Ų126.663%0.62975%0.745SS**  cis75117.129.5790000114.6
901S38Very low34.2Very low105 Ų105128.4 Ų128.473%0.73475%0.746SS**  cis-142.5-160.19.9-67.30000108.9
902V33.2Very low34.4Very low125 Ų125132.3 Ų132.376%0.75875%0.746SS**  cis-151.1141.417.9-153.30000105
903S32.5Very low34.3Very low103 Ų103130.4 Ų130.472%0.7274%0.742SS**  67.9144.650.2-30.90000113.5
904S35.4Very low34.3Very low105 Ų105133.7 Ų133.773%0.73475%0.746SS**  cis-152.9146.54.3-14.30000109.1
905A34.7Very low34Very low86 Ų86137.7 Ų137.771%0.71176%0.759SS**  75.714463.800000113.6
906E35.5Very low33.8Very low194 Ų194130.7 Ų130.791%0.90775%0.75SS**  cis-162.9177-5.3-127.9170.1-154.700115.3
907S34.6Very low34Very low94 Ų94132.7 Ų132.766%0.65776%0.762SS**  trans-50.2144.6-174.1-1510000122.5
908T35.8Very low33.5Very low136 Ų136129.4 Ų129.483%0.83475%0.753SS**  trans29.7148.1139.262.30000123.5
909G33.8Very low33.2Very low68 Ų68133.6 Ų133.670%0.70177%0.768SS**  cis157.2168-2.100000114.8
910N37.2Very low33.1Very low149 Ų149129.5 Ų129.580%0.79776%0.758SS**  trans60.4141.1173.2-62.1-15.2000118.2
911W28.3Very low32.8Very low227 Ų227132.5 Ų132.586%0.8676%0.762SS**  cis-152.4173.245.8-93.790.4000115.4
912R30Very low32.4Very low179 Ų179135.4 Ų135.468%0.67576%0.762SS**  trans-66.8154.6-172.9-57.2161.4147.9-102.6-0.7117.6
913N28.1Very low32.2Very low146 Ų146135.9 Ų135.978%0.78176%0.76SS**  -176.3177.399.3-95-27.8000114.4
914Q32.7Very low32.2Very low171 Ų171136.8 Ų136.880%0.79976%0.762SS**  trans-117.6159.8-162.4-58.3171.9-85.100114.9
915L29.6Very low33Very low177 Ų177137.2 Ų137.293%0.92776%0.762SS**  trans-154.5179.5152.6-122.3174000110.7
916A32.7Very low32.7Very low81 Ų81140.9 Ų140.967%0.66977%0.77SS**  trans-161.3-168.5-175.900000112.6
917V32.6Very low32.4Very low156 Ų156135.4 Ų135.495%0.94576%0.758SS**  trans80.2136.6-178.1-168.50000113.3
918G28.1Very low32.1Very low55 Ų55136.1 Ų136.157%0.56776%0.763SS**  cis-159.3159.7-400000109.8
919L33.8Very low31.8Very low170 Ų170137 Ų13789%0.8976%0.758SS**  47.3129.694-66.4170.1000114.5
920T33.8Very low31.5Very low102 Ų102143.7 Ų143.763%0.62676%0.763SS**  cis-157.3165.613.113.60000113
921E28.6Very low31.1Very low154 Ų154142 Ų14272%0.7276%0.763SS**  trans66167.8149.2-73.9155.9-171.100119.9
922F30.4Very low32.1Very low166 Ų166137.3 Ų137.373%0.72876%0.762SS**  cis-151.5152.95.9-131.6-63.8000112.8
923D27.8Very low32.1Very low134 Ų134133.8 Ų133.872%0.71777%0.771SS**  trans74.7159.9146.5-112.7-41.5000127.7
924T33.3Very low32.1Very low122 Ų122130.6 Ų130.675%0.74877%0.773SS**  trans-106.3-176.9-172.813.20000112.1
925P50.8Low32.1Very low115 Ų115127.3 Ų127.375%0.74778%0.775SS**  cis-128.5-168.219.646.3-27.3000113.5
926D28.6Very low32Very low162 Ų162128.8 Ų128.887%0.86678%0.777SS**  cis-158.3-171.949.8-154.3-14.2000113.1
927A29.8Very low31.6Very low80 Ų80129.4 Ų129.466%0.66178%0.781SS**  trans-115.1178.3-149.300000118.6
928S28Very low31.4Very low108 Ų108127 Ų12776%0.75577%0.772SS**  trans82.4149.5161.9880000117.9
929Q29.6Very low31.4Very low156 Ų156131.2 Ų131.273%0.72978%0.781SS**  cis-159.4156.4-17.6-123177.323.600112.5
930Y27.5Very low31.2Very low207 Ų207132.7 Ų132.781%0.81278%0.776SS**  trans63.5125.9162-72.6-68000122.9
931S29Very low31Very low113 Ų113133.7 Ų133.779%0.7978%0.777SS**  trans-96.9-165.9169.8-31.90000109.8
932P48.3Very low31Very low130 Ų130138.2 Ų138.284%0.84479%0.788SS**  cis-141.1-171.237.541.7-19.9000116.1
933A30.9Very low31.1Very low105 Ų105134.6 Ų134.687%0.86878%0.783SS**  trans-86.1162.6177.700000113.5
934G28.4Very low32.1Very low79 Ų79133.2 Ų133.281%0.81478%0.782SS**  trans-168135.5168.500000111.5
935A32.2Very low32Very low102 Ų102132.8 Ų132.884%0.84378%0.779SS**  trans-97.5120.6175.800000110.3
936Q27.2Very low31.1Very low208 Ų208135.8 Ų135.897%0.97278%0.782SS**  trans-157.6-178.6166.7-117.61763100111.6
937A23.8Very low31.1Very low93 Ų93132.4 Ų132.477%0.76977%0.771SS**  trans-104.7142.4-154.900000115.9
938S29.7Very low30.9Very low107 Ų107139 Ų13975%0.74878%0.779SS**  trans63.5142.9139.9-127.60000122.6
939L28.2Very low30.9Very low142 Ų142143.2 Ų143.274%0.74378%0.784SS**  trans68.9147.4165.9-53.6166.4000114.6
940Y28.4Very low30.6Very low201 Ų201141 Ų14179%0.78879%0.786SS**  cis-129.5-171.319.5-70.1-104.1000110.6
941N29.7Very low31.7Very low123 Ų123136.3 Ų136.366%0.65878%0.781SS**  cis-1601399.4-144.7-18000112.7
942R28.5Very low31.6Very low249 Ų249138.7 Ų138.794%0.9478%0.78SS**  trans-158.9128.8135.9-121.5-176.4-169.9-1441.6112
943S33.3Very low30.6Very low90 Ų90138.3 Ų138.363%0.62977%0.771SS**  trans-90.5-174.5-171.4-29.60000111.7
944P48.4Very low30.5Very low106 Ų106141.1 Ų141.169%0.68876%0.763SS**  cis-140.1169.21.736.1-15000118.6
945T31.5Very low30.4Very low112 Ų112144.7 Ų144.769%0.68776%0.759SS**  trans62.5108.1149.446.30000120.3
946H32.8Very low30.2Very low178 Ų178144.5 Ų144.582%0.82475%0.751SS**  83135.469.4-87.5-86000113.2
947S28.2Very low30.2Very low91 Ų91143.2 Ų143.264%0.63675%0.745SS**  cis-169.5156-15.147.50000108.1
948R26.1Very low30.4Very low219 Ų219145.6 Ų145.683%0.82675%0.75SS**  -174.5142.268.7-87.7-171.6174.4-179.7-1.7113.5
949F26.4Very low30.5Very low197 Ų197150 Ų15086%0.86476%0.756SS**  trans57.3144.6143.3-71.4-74.7000125.8
950S23.4Very low31.3Very low110 Ų110148.3 Ų148.377%0.76975%0.753SS**  trans-107.4-154.3170.9-36.80000109.3
951P50.4Low31.3Very low108 Ų108148 Ų14870%0.70176%0.756SS**  cis-136.7-173.2-18.637.8-17.2000115
952E28Very low31.2Very low162 Ų162151.1 Ų151.176%0.75776%0.764SS**  trans60.9142.3143.7-84.7-173.6107.600126.5
953N28Very low31.2Very low123 Ų123142.6 Ų142.666%0.65874%0.743SS**  trans60.7114.5145.8-64.8-38.3000124.5
954K27.2Very low31.1Very low164 Ų164146.4 Ų146.471%0.71375%0.751SS**  46136.3128.4-75.4178.8148.8-119.90123.5
955E26.2Very low30.2Very low154 Ų154146.3 Ų146.372%0.7275%0.752SS**  trans65.7146.5149.2-67.6156-147.300116.8
956S28.3Very low30.3Very low98 Ų98146.9 Ų146.969%0.68576%0.756SS**  cis-165.9165.6-21.550.90000109.9
957E27.5Very low30.3Very low181 Ų181145.3 Ų145.385%0.84675%0.753SS**  trans67.5129.8174.5-50.5-160.5107.800116.8
958T28.6Very low30.6Very low142 Ų142147.3 Ų147.387%0.87176%0.761SS**  -161.8161.172.123.30000113.9
959K30.6Very low31Very low199 Ų199143.4 Ų143.487%0.86576%0.761SS**  trans-93171.5174.8-100.3170.5-176168.80110.2
960P46.8Very low31.2Very low107 Ų107137.2 Ų137.270%0.69575%0.753SS**  cis-158-176.446.644.4-21.9000120.4
961K26.5Very low31.6Very low196 Ų196136.6 Ų136.685%0.85276%0.755SS**  trans74.3128.1169.2-56.9178.8-178.4179.30115.5
962K27.8Very low30.8Very low187 Ų187139.1 Ų139.181%0.81376%0.762SS**  cis67.8139.242.1-86.6-155.9161.3-1510114.7
963S29.6Very low30.9Very low71 Ų71135.2 Ų135.250%0.49776%0.758SS.*  cis-172.6177.4-20.9410000109.3
964E30.8Very low31.1Very low170 Ų170135.8 Ų135.879%0.79477%0.766SS**  trans72.8151169.9-68.3131.5-117.900116.2
965S30.6Very low31.4Very low104 Ų104132.9 Ų132.973%0.72777%0.766SS**  cis-153.9138.93.240.20000110.8
966V32.5Very low31.7Very low124 Ų124129.9 Ų129.975%0.75277%0.768SS**  87.411997.9176.20000116.8
967D33.5Very low31.8Very low145 Ų145133.1 Ų133.178%0.77578%0.778SS**  trans50.8152.6152.1-54.6-11.8000121.1
968V34.8Very low32.2Very low132 Ų132132.6 Ų132.680%0.878%0.775SS**  cis-153.3144.347.8165.80000114.6
969V34.3Very low33Very low137 Ų137132 Ų13283%0.8377%0.774SS**  trans-6.7144.9154.5-170.80000119.6
970G30.5Very low33.2Very low67 Ų67127.4 Ų127.469%0.69177%0.767SS**  cis147.1-172.2-4.800000115.4
971A30.9Very low32.9Very low98 Ų98129.1 Ų129.181%0.8177%0.77SS**  trans66.3158.7165.600000120.6
972D33.5Very low33.3Very low160 Ų160125.7 Ų125.786%0.85676%0.761SS**  cis-168.2-177.2-44.3-146.8-28.1000109.9
973A31Very low33.7Very low81 Ų81124.5 Ų124.567%0.66976%0.758SS**  trans74.8149.7154.500000120.6
974T32.5Very low34.2Very low135 Ų135125.9 Ų125.983%0.82877%0.768SS**  cis-156-176.9-42.5-21.50000109.5
975S31.8Very low34.7Very low102 Ų102124.2 Ų124.271%0.71377%0.769SS**  trans-87.6154.717454.10000115.1
976A34.5Very low35.1Very low91 Ų91129.5 Ų129.575%0.75280%0.798SS**  trans53133.8146.300000121.5
977D30.4Very low35.2Very low167 Ų167129.8 Ų129.889%0.89380%0.8SS**  -171.3171.5116.3-116.2-25.7000113.1
978E34.2Very low35.3Very low169 Ų169128.9 Ų128.979%0.7980%0.801SS**  trans-77.1174.4159.4-61.4-166.8143.900110.9
979P45.8Very low35.3Very low131 Ų131128.8 Ų128.885%0.85180%0.801SS**  -151.3-176.593.139.8-21.6000114.9
980S35.4Very low35.4Very low102 Ų102128.3 Ų128.371%0.71380%0.8SS**  trans-107.1154.8175.549.80000113.5
981D39.9Very low35.7Very low142 Ų142132.1 Ų132.176%0.75981%0.806SS**  trans62.1122.9152.9-94.622.8000123.3
982N35.3Very low36Very low125 Ų125134.4 Ų134.467%0.66881%0.806SS**  trans89.5136.3130.6-85.9-52.8000124.4
983Q36.1Very low36.2Very low161 Ų161132.6 Ų132.675%0.75280%0.803SS**  trans76.690.8145.7-71.1179.726.900122.9
984S40.1Very low36.6Very low100 Ų100136.5 Ų136.570%0.69981%0.813SS**  60.6117.2119.964.10000122.2
985T40.8Very low37Very low135 Ų135136.7 Ų136.783%0.82881%0.812SS**  -160.5150.6112.34.80000111.5
986T39.4Very low37.4Very low215 Ų215139.8 Ų139.8100%1.31982%0.82SS**  trans51.10177.755.80000117.7

Retrieved 986 of 986 residues in 244.9 ms (Link to these results)

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