A0A3Q0KC55_SCHMA Loading...

Brain-enriched guanylate kinase-associated protein

AlphaFold DB , UniProt , Accession A0A3Q0KC55, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 685 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
1M79.5Confident90.5Very high184 Ų184126.1 Ų126.191%0.90661%0.61SS**  0-50.30-169.1179.4-75.300109.8S3 R4 I5M1-S3 PolarHBondContact O-N 3.07Å; M1-R4 PolarHBondContact O-N 3.22Å; M1-I5 HydrophobicContact CG-CD1 4.13Å; M1-I5 WeakPolarHBondContact O-CG1 3.43Å; M1-I5 PolarHBondContact O-N 3.39Å; M1-I5 VanDerWaalsContact O-N 3.09Å
2E86.5Confident90.8Very high168 Ų168125 Ų12579%0.78561%0.609SS**Hα-helixtrans-53.4-45.3176.1-167.7174.9-177.100114.4R4 I5 K6E2-R4 PolarHBondContact O-N 3.43Å; E2-I5 PolarHBondContact O-N 3.34Å; E2-I5 VanDerWaalsContact O-N 3.16Å; E2-K6 PolarHBondContact O-N 3Å
3S90Very high91Very high78 Ų78122.6 Ų122.655%0.54560%0.601SS.*Hα-helixtrans-57.6-47.2174.955.50000112.9M1 I5 K6 D7M1-S3 PolarHBondContact O-N 3.07Å; S3-I5 VanDerWaalsContact C-N 3.27Å; S3-I5 PolarHBondContact O-N 3.15Å; S3-K6 WeakPolarHBondContact O-CB 3.31Å; S3-K6 PolarHBondContact O-N 3.2Å; S3-K6 VanDerWaalsContact O-N 3.15Å; S3-D7 PolarHBondContact O-N 3.1Å
4R89Confident91.2Very high202 Ų202122 Ų12276%0.76260%0.595SS**Hα-helixtrans-62.1-34.1177.3-67.1-178.866.3-174.60.3112.7M1 E2 A8M1-R4 PolarHBondContact O-N 3.22Å; E2-R4 PolarHBondContact O-N 3.43Å; R4-A8 VanDerWaalsContact O-CB 3.3Å; R4-A8 WeakPolarHBondContact O-CB 3.3Å; R4-A8 PolarHBondContact O-N 3.07Å; R4-A8 VanDerWaalsContact O-N 3.14Å
5I91.4Very high91.3Very high99 Ų99119.5 Ų119.551%0.50859%0.585SS.*Hα-helixtrans-70.1-45175.6-66168.9000109.4M1 E2 S3 A8 V9M1-I5 HydrophobicContact CG-CD1 4.13Å; M1-I5 WeakPolarHBondContact O-CG1 3.43Å; M1-I5 PolarHBondContact O-N 3.39Å; M1-I5 VanDerWaalsContact O-N 3.09Å; E2-I5 PolarHBondContact O-N 3.34Å; E2-I5 VanDerWaalsContact O-N 3.16Å; S3-I5 VanDerWaalsContact C-N 3.27Å; S3-I5 PolarHBondContact O-N 3.15Å; I5-A8 PolarHBondContact O-N 3.34Å; I5-V9 HydrophobicContact CG2-CG2 4.39Å; I5-V9 WeakPolarHBondContact O-CG2 3.33Å; I5-V9 PolarHBondContact O-N 3.04Å
6K92.9Very high91.3Very high147 Ų147122.2 Ų122.264%0.63959%0.588SS**Hα-helixtrans-59.6-47.6177-170.2-179.1177.5-174.50111.9E2 S3 A8 V9 E10E2-K6 PolarHBondContact O-N 3Å; S3-K6 WeakPolarHBondContact O-CB 3.31Å; S3-K6 PolarHBondContact O-N 3.2Å; S3-K6 VanDerWaalsContact O-N 3.15Å; K6-A8 VanDerWaalsContact C-N 3.28Å; K6-A8 PolarHBondContact O-N 3.36Å; K6-V9 PolarHBondContact O-N 2.96Å; K6-E10 WeakPolarHBondContact O-CB 3.41Å; K6-E10 PolarHBondContact O-N 2.67Å
7D92.9Very high91.3Very high100 Ų100122.2 Ų122.254%0.53559%0.587SS.*Hα-helixtrans-61.8-37.4177.4-60.6-18.8000111.7S3 R11S3-D7 PolarHBondContact O-N 3.1Å; D7-R11 WeakPolarHBondContact O-CB 3.39Å; D7-R11 PolarHBondContact O-N 3.08Å
8A91.8Very high91.2Very high52 Ų52123.7 Ų123.743%0.4359%0.586SS.*Hα-helixtrans-69.1-41.6177.200000112.3R4 I5 K6 R11 L12R4-A8 VanDerWaalsContact O-CB 3.3Å; R4-A8 WeakPolarHBondContact O-CB 3.3Å; R4-A8 PolarHBondContact O-N 3.07Å; R4-A8 VanDerWaalsContact O-N 3.14Å; I5-A8 PolarHBondContact O-N 3.34Å; K6-A8 VanDerWaalsContact C-N 3.28Å; K6-A8 PolarHBondContact O-N 3.36Å; A8-R11 PolarHBondContact O-N 3.36Å; A8-L12 VanDerWaalsContact O-CG 3.31Å; A8-L12 WeakPolarHBondContact O-CG 3.34Å; A8-L12 PolarHBondContact O-N 3.46Å
9V93.5Very high91.1Very high73 Ų73123.5 Ų123.544%0.44259%0.589SS.*Hα-helixtrans-64.4-47.2175.4172.20000110.3I5 K6 R11 L12 D13I5-V9 HydrophobicContact CG2-CG2 4.39Å; I5-V9 WeakPolarHBondContact O-CG2 3.33Å; I5-V9 PolarHBondContact O-N 3.04Å; K6-V9 PolarHBondContact O-N 2.96Å; V9-R11 VanDerWaalsContact C-N 3.29Å; V9-R11 PolarHBondContact O-N 2.86Å; V9-L12 CarbonylContact O-C 3.58Å; V9-L12 WeakPolarHBondContact O-CA 3.49Å; V9-L12 WeakPolarHBondContact O-CB 3.12Å; V9-L12 PolarHBondContact O-N 3.29Å; V9-D13 PolarHBondContact O-N 3.4Å
10E93.4Very high91Very high100 Ų100121 Ų12147%0.46758%0.581SS.*Hα-helixtrans-60.7-39.6178.2-173.5172.7-179.300111.7K6 D13 H14K6-E10 WeakPolarHBondContact O-CB 3.41Å; K6-E10 PolarHBondContact O-N 2.67Å; E10-D13 PolarHBondContact O-N 2.9Å; E10-H14 PolarHBondContact O-N 3.48Å; E10-H14 PolarHBondContact O-ND1 2.86Å; E10-H14 IonicContact OE1-CE1 3.86Å
11R94.4Very high90.8Very high184 Ų184119.9 Ų119.969%0.69458%0.578SS**Hα-helixtrans-63.2-40.3172.4-179.7176.4172.1157.2-0.8112.4D7 A8 V9 L15D7-R11 WeakPolarHBondContact O-CB 3.39Å; D7-R11 PolarHBondContact O-N 3.08Å; A8-R11 PolarHBondContact O-N 3.36Å; V9-R11 VanDerWaalsContact C-N 3.29Å; V9-R11 PolarHBondContact O-N 2.86Å; R11-L15 HydrophobicContact CG-CD1 4.42Å; R11-L15 WeakPolarHBondContact O-CG 3.13Å; R11-L15 PolarHBondContact O-N 3.19Å
12L94.4Very high91.3Very high113 Ų113116.4 Ų116.459%0.59256%0.556SS**Hα-helixtrans-67.3-39.7176.9-74170.6000111.6A8 V9 L15 Y16A8-L12 VanDerWaalsContact O-CG 3.31Å; A8-L12 WeakPolarHBondContact O-CG 3.34Å; A8-L12 PolarHBondContact O-N 3.46Å; V9-L12 CarbonylContact O-C 3.58Å; V9-L12 WeakPolarHBondContact O-CA 3.49Å; V9-L12 WeakPolarHBondContact O-CB 3.12Å; V9-L12 PolarHBondContact O-N 3.29Å; L12-L15 PolarHBondContact O-N 3.06Å; L12-Y16 WeakPolarHBondContact O-CB 3.48Å; L12-Y16 PolarHBondContact O-N 3.4Å
13D93.7Very high91.4Very high94 Ų94115.4 Ų115.450%0.50355%0.549SS..Hα-helixtrans-64.4-42.3176.1-72-25.9000111.5V9 E10 L15 Y16 Q17V9-D13 PolarHBondContact O-N 3.4Å; E10-D13 PolarHBondContact O-N 2.9Å; D13-L15 PolarHBondContact O-N 3.37Å; D13-Y16 PolarHBondContact O-N 2.88Å; D13-Q17 WeakPolarHBondContact O-CB 3.47Å; D13-Q17 PolarHBondContact O-N 2.96Å
14H92.9Very high91.3Very high114 Ų114115.3 Ų115.353%0.52855%0.547SS..Hα-helixtrans-61.5-41.5173.1-79.684.4000112.3E10 R18E10-H14 PolarHBondContact O-N 3.48Å; E10-H14 PolarHBondContact O-ND1 2.86Å; E10-H14 IonicContact OE1-CE1 3.86Å; H14-R18 WeakPolarHBondContact O-CB 3.35Å; H14-R18 PolarHBondContact O-N 3.47Å
15L92.3Very high91.2Very high84 Ų84110 Ų11044%0.4453%0.533SS..Hα-helixtrans-66.7-40.6175.9-73.2173000111.8R11 L12 D13 R18 L19R11-L15 HydrophobicContact CG-CD1 4.42Å; R11-L15 WeakPolarHBondContact O-CG 3.13Å; R11-L15 PolarHBondContact O-N 3.19Å; L12-L15 PolarHBondContact O-N 3.06Å; D13-L15 PolarHBondContact O-N 3.37Å; L15-R18 PolarHBondContact O-N 2.9Å; L15-L19 WeakPolarHBondContact O-CG 3.41Å; L15-L19 PolarHBondContact O-N 3.49Å
16Y92.7Very high91.1Very high163 Ų163110.3 Ų110.364%0.63954%0.535SS*.Hα-helixtrans-60.6-49.5175.5177.2-97.7000111L12 D13 R18 L19 V20L12-Y16 WeakPolarHBondContact O-CB 3.48Å; L12-Y16 PolarHBondContact O-N 3.4Å; D13-Y16 PolarHBondContact O-N 2.88Å; Y16-R18 VanDerWaalsContact C-N 3.28Å; Y16-R18 PolarHBondContact O-N 2.96Å; Y16-L19 WeakPolarHBondContact O-CB 3.28Å; Y16-L19 PolarHBondContact O-N 2.55Å; Y16-L19 VanDerWaalsContact O-N 3.11Å; Y16-V20 HydrophobicContact CD1-CG2 4.2Å; Y16-V20 HydrophobicContact CE1-CG2 3.79Å; Y16-V20 HydrophobicContact CE2-CG2 4.42Å; Y16-V20 WeakPolarHBondContact O-CG2 3.48Å; Y16-V20 PolarHBondContact O-N 2.82Å
17Q90.6Very high90.9Very high122 Ų122107.2 Ų107.257%0.5753%0.526SS*.Hα-helixtrans-63.2-36.2179-162.4168.819.200111.9D13 V20 N21D13-Q17 WeakPolarHBondContact O-CB 3.47Å; D13-Q17 PolarHBondContact O-N 2.96Å; Q17-V20 PolarHBondContact O-N 2.83Å; Q17-N21 PolarHBondContact O-N 2.82Å; Q17-N21 PolarHBondContact O-ND2 3.35Å
18R89.4Confident90.8Very high149 Ų149107.7 Ų107.756%0.56252%0.524SS*.Hα-helixtrans-64.2-42173.6-164-178.8176.6150.7-2.3112.1H14 L15 Y16 N21 Y22H14-R18 WeakPolarHBondContact O-CB 3.35Å; H14-R18 PolarHBondContact O-N 3.47Å; L15-R18 PolarHBondContact O-N 2.9Å; Y16-R18 VanDerWaalsContact C-N 3.28Å; Y16-R18 PolarHBondContact O-N 2.96Å; R18-N21 PolarHBondContact O-N 3.19Å; R18-Y22 HydrophobicContact CG-CD2 4.16Å; R18-Y22 HydrophobicContact CG-CE2 3.56Å; R18-Y22 PolarHBondContact NE-OH 3.49Å; R18-Y22 PolarHBondContact NH2-OH 2.88Å; R18-Y22 VanDerWaalsContact NH2-OH 3.08Å; R18-Y22 WeakPolarHBondContact O-CD2 3.42Å; R18-Y22 PolarHBondContact O-N 3Å; R18-Y22 VanDerWaalsContact O-N 3.1Å
19L88.9Confident90.5Very high121 Ų121110 Ų11063%0.63453%0.53SS*.Hα-helixtrans-64.5-39.8175-73.1169.9000112.2L15 Y16 N21 Y22 K23L15-L19 WeakPolarHBondContact O-CG 3.41Å; L15-L19 PolarHBondContact O-N 3.49Å; Y16-L19 WeakPolarHBondContact O-CB 3.28Å; Y16-L19 PolarHBondContact O-N 2.55Å; Y16-L19 VanDerWaalsContact O-N 3.11Å; L19-N21 VanDerWaalsContact C-N 3.29Å; L19-N21 PolarHBondContact O-N 3.39Å; L19-Y22 PolarHBondContact O-N 3.41Å; L19-K23 PolarHBondContact O-N 3.35Å
20V89Confident90.3Very high73 Ų73110.4 Ų110.444%0.44253%0.532SS..Hα-helixtrans-60-41.1174.1172.40000110.9Y16 Q17 Y22 K23 P24Y16-V20 HydrophobicContact CD1-CG2 4.2Å; Y16-V20 HydrophobicContact CE1-CG2 3.79Å; Y16-V20 HydrophobicContact CE2-CG2 4.42Å; Y16-V20 WeakPolarHBondContact O-CG2 3.48Å; Y16-V20 PolarHBondContact O-N 2.82Å; Q17-V20 PolarHBondContact O-N 2.83Å; V20-Y22 VanDerWaalsContact C-N 3.33Å; V20-Y22 PolarHBondContact O-N 3.26Å; V20-K23 PolarHBondContact O-N 2.87Å; V20-P24 WeakPolarHBondContact O-CD 2.98Å
21N88Confident90.1Very high98 Ų98110.9 Ų110.952%0.52454%0.537SS..Hα-helixtrans-72-23178.1-66.1-15.2000113.7Q17 R18 L19 P24Q17-N21 PolarHBondContact O-N 2.82Å; Q17-N21 PolarHBondContact O-ND2 3.35Å; R18-N21 PolarHBondContact O-N 3.19Å; L19-N21 VanDerWaalsContact C-N 3.29Å; L19-N21 PolarHBondContact O-N 3.39Å; N21-P24 WeakPolarHBondContact O-CD 3.48Å; N21-P24 WeakPolarHBondContact O-CG 3.44Å
22Y90Very high89.7Confident111 Ų111106.4 Ų106.444%0.43553%0.527SS..Hα-helixtrans-76.7-25.7174.6-77.3-55.8000113.5R18 L19 V20 L25 L26R18-Y22 HydrophobicContact CG-CD2 4.16Å; R18-Y22 HydrophobicContact CG-CE2 3.56Å; R18-Y22 PolarHBondContact NE-OH 3.49Å; R18-Y22 PolarHBondContact NH2-OH 2.88Å; R18-Y22 VanDerWaalsContact NH2-OH 3.08Å; R18-Y22 WeakPolarHBondContact O-CD2 3.42Å; R18-Y22 PolarHBondContact O-N 3Å; R18-Y22 VanDerWaalsContact O-N 3.1Å; L19-Y22 PolarHBondContact O-N 3.41Å; V20-Y22 VanDerWaalsContact C-N 3.33Å; V20-Y22 PolarHBondContact O-N 3.26Å; Y22-L25 HydrophobicContact CD1-CD1 4.1Å; Y22-L25 PolarHBondContact O-N 2.89Å; Y22-L26 PolarHBondContact O-N 2.9Å
23K88.9Confident89.2Confident146 Ų146103.1 Ų103.164%0.63552%0.516SS*.Hα-helixtrans-56.4-53.2178.7-173.6175.4-180178.80113.5L19 V20 L25 L26 D27L19-K23 PolarHBondContact O-N 3.35Å; V20-K23 PolarHBondContact O-N 2.87Å; K23-L25 VanDerWaalsContact C-N 3.28Å; K23-L25 PolarHBondContact O-N 3.47Å; K23-L26 WeakPolarHBondContact O-CB 3.29Å; K23-L26 PolarHBondContact O-N 3.38Å; K23-L26 VanDerWaalsContact O-N 3.14Å; K23-D27 PolarHBondContact O-N 2.86Å
24P88Confident88.9Confident77 Ų77102.3 Ų102.350%0.551%0.509SS..Hα-helixtrans-64.3-31.7178.525.3-35000112.9V20 N21 D27 Q28V20-P24 WeakPolarHBondContact O-CD 2.98Å; N21-P24 WeakPolarHBondContact O-CD 3.48Å; N21-P24 WeakPolarHBondContact O-CG 3.44Å; P24-D27 PolarHBondContact O-N 3.08Å; P24-Q28 WeakPolarHBondContact O-CB 3.36Å; P24-Q28 PolarHBondContact O-N 3.33Å
25L86.3Confident88.7Confident89 Ų89104.1 Ų104.147%0.46652%0.516SS..Hα-helixtrans-66.6-39.8174.4-66.7174.3000111.5Y22 K23 N29Y22-L25 HydrophobicContact CD1-CD1 4.1Å; Y22-L25 PolarHBondContact O-N 2.89Å; K23-L25 VanDerWaalsContact C-N 3.28Å; K23-L25 PolarHBondContact O-N 3.47Å; L25-N29 WeakPolarHBondContact O-CB 3.42Å; L25-N29 PolarHBondContact O-N 3.36Å; L25-N29 PolarHBondContact O-ND2 3.08Å
26L88.8Confident88.2Confident107 Ų107104.5 Ų104.556%0.5652%0.516SS*.Hα-helixtrans-65.8-45.9174.7-173.568.8000111Y22 K23 Q28 N29 V30Y22-L26 PolarHBondContact O-N 2.9Å; K23-L26 WeakPolarHBondContact O-CB 3.29Å; K23-L26 PolarHBondContact O-N 3.38Å; K23-L26 VanDerWaalsContact O-N 3.14Å; L26-Q28 VanDerWaalsContact C-N 3.32Å; L26-Q28 PolarHBondContact O-N 2.84Å; L26-N29 PolarHBondContact O-N 3.23Å; L26-V30 WeakPolarHBondContact O-CG2 3.3Å; L26-V30 PolarHBondContact O-N 2.84Å
27D89.8Confident87.7Confident82 Ų82101.2 Ų101.244%0.43951%0.508SS..Hα-helixtrans-60.6-42.3178.1-66.9-26.4000110.9K23 P24 V30 L31K23-D27 PolarHBondContact O-N 2.86Å; P24-D27 PolarHBondContact O-N 3.08Å; D27-V30 PolarHBondContact O-N 2.85Å; D27-L31 WeakPolarHBondContact O-CG 3.25Å; D27-L31 PolarHBondContact O-N 3.31Å
28Q89.5Confident87.5Confident109 Ų109103.3 Ų103.351%0.50951%0.511SS..Hα-helixtrans-64.6-41.3174.4-173174.910.400112.4P24 L26 V30 L31 N32P24-Q28 WeakPolarHBondContact O-CB 3.36Å; P24-Q28 PolarHBondContact O-N 3.33Å; L26-Q28 VanDerWaalsContact C-N 3.32Å; L26-Q28 PolarHBondContact O-N 2.84Å; Q28-V30 VanDerWaalsContact C-N 3.33Å; Q28-V30 PolarHBondContact O-N 2.8Å; Q28-L31 PolarHBondContact O-N 2.82Å; Q28-N32 WeakPolarHBondContact O-CB 3.37Å; Q28-N32 PolarHBondContact O-N 2.98Å; Q28-N32 PolarHBondContact O-ND2 2.97Å
29N86.5Confident87.1Confident102 Ų10298.2 Ų98.255%0.54550%0.501SS..Hα-helixtrans-63.6-39.5176-74.3-19.4000112L25 L26 N32 A33L25-N29 WeakPolarHBondContact O-CB 3.42Å; L25-N29 PolarHBondContact O-N 3.36Å; L25-N29 PolarHBondContact O-ND2 3.08Å; L26-N29 PolarHBondContact O-N 3.23Å; N29-N32 PolarHBondContact O-N 3.31Å; N29-A33 VanDerWaalsContact O-CB 3.29Å; N29-A33 WeakPolarHBondContact O-CB 3.47Å; N29-A33 PolarHBondContact O-N 3.41Å
30V88.2Confident86.6Confident81 Ų8196.1 Ų96.149%0.49149%0.49SS..Hα-helixtrans-64.8-45.7175.71720000110.7L26 D27 Q28 N32 A33 E34L26-V30 WeakPolarHBondContact O-CG2 3.3Å; L26-V30 PolarHBondContact O-N 2.84Å; D27-V30 PolarHBondContact O-N 2.85Å; Q28-V30 VanDerWaalsContact C-N 3.33Å; Q28-V30 PolarHBondContact O-N 2.8Å; V30-N32 PolarHBondContact O-N 2.9Å; V30-A33 PolarHBondContact O-N 3.31Å; V30-E34 VanDerWaalsContact O-CB 3.3Å; V30-E34 WeakPolarHBondContact O-CB 3.28Å; V30-E34 PolarHBondContact O-N 3.36Å
31L90.1Very high86.3Confident110 Ų11098.6 Ų98.658%0.57650%0.495SS*.Hα-helixtrans-62.6-41.7177.3-72.6172000112.3D27 Q28 E34 F35D27-L31 WeakPolarHBondContact O-CG 3.25Å; D27-L31 PolarHBondContact O-N 3.31Å; Q28-L31 PolarHBondContact O-N 2.82Å; L31-E34 PolarHBondContact O-N 3.43Å; L31-F35 WeakPolarHBondContact O-CB 3.31Å; L31-F35 PolarHBondContact O-N 2.9Å
32N85.7Confident86.2Confident89 Ų89101.2 Ų101.248%0.47650%0.502SS..Hα-helixtrans-64.3-46.4176.4-72.1-15.5000111.4Q28 N29 V30 F35 E36Q28-N32 WeakPolarHBondContact O-CB 3.37Å; Q28-N32 PolarHBondContact O-N 2.98Å; Q28-N32 PolarHBondContact O-ND2 2.97Å; N29-N32 PolarHBondContact O-N 3.31Å; V30-N32 PolarHBondContact O-N 2.9Å; N32-F35 PolarHBondContact O-N 3.06Å; N32-E36 WeakPolarHBondContact O-CB 3.39Å; N32-E36 PolarHBondContact O-N 2.81Å
33A84.2Confident85.8Confident45 Ų45100 Ų10037%0.37250%0.503SS..Hα-helixtrans-63.1-42.217700000111.6N29 V30 E36 I37N29-A33 VanDerWaalsContact O-CB 3.29Å; N29-A33 WeakPolarHBondContact O-CB 3.47Å; N29-A33 PolarHBondContact O-N 3.41Å; V30-A33 PolarHBondContact O-N 3.31Å; A33-E36 PolarHBondContact O-N 3.16Å; A33-I37 WeakPolarHBondContact O-CB 3.24Å; A33-I37 WeakPolarHBondContact O-CD1 3.36Å; A33-I37 WeakPolarHBondContact O-CG1 3.35Å; A33-I37 PolarHBondContact O-N 2.85Å
34E87.5Confident85.4Confident76 Ų7696.4 Ų96.436%0.35549%0.49SS..Hα-helixtrans-62.6-45.2175.9180175.2-167.700111.7V30 L31 E36 I37 R38V30-E34 VanDerWaalsContact O-CB 3.3Å; V30-E34 WeakPolarHBondContact O-CB 3.28Å; V30-E34 PolarHBondContact O-N 3.36Å; L31-E34 PolarHBondContact O-N 3.43Å; E34-E36 VanDerWaalsContact C-N 3.35Å; E34-I37 PolarHBondContact O-N 3.43Å; E34-R38 HydrophobicContact CG-CG 4.4Å; E34-R38 WeakPolarHBondContact O-CB 3.44Å; E34-R38 VanDerWaalsContact O-CG 3.28Å; E34-R38 WeakPolarHBondContact O-CG 3.45Å; E34-R38 PolarHBondContact O-N 2.76Å; E34-R38 IonicContact OE1-CZ 3.57Å; E34-R38 IonicContact OE1-NE 2.74Å; E34-R38 PolarHBondContact OE1-NE 3.25Å; E34-R38 IonicContact OE1-NH2 2.82Å; E34-R38 PolarHBondContact OE1-NH2 3.4Å
35F88.1Confident85.2Confident152 Ų15298 Ų9867%0.66749%0.493SS*.Hα-helixtrans-59.9-46.1176.4177.6-95.2000111.3L31 N32 R38 A39L31-F35 WeakPolarHBondContact O-CB 3.31Å; L31-F35 PolarHBondContact O-N 2.9Å; N32-F35 PolarHBondContact O-N 3.06Å; F35-R38 PolarHBondContact O-N 3.22Å; F35-A39 VanDerWaalsContact O-CB 3.29Å; F35-A39 WeakPolarHBondContact O-CB 3.24Å; F35-A39 PolarHBondContact O-N 3.46Å
36E81.7Confident85.2Confident92 Ų9299.8 Ų99.843%0.4350%0.499SS..Hα-helixtrans-63.2-45.5178.6-173.1178.5176.200111.7N32 A33 E34 R38 A39 N40N32-E36 WeakPolarHBondContact O-CB 3.39Å; N32-E36 PolarHBondContact O-N 2.81Å; A33-E36 PolarHBondContact O-N 3.16Å; E34-E36 VanDerWaalsContact C-N 3.35Å; E36-R38 PolarHBondContact O-N 3.06Å; E36-A39 PolarHBondContact O-N 3.02Å; E36-N40 VanDerWaalsContact O-CB 3.3Å; E36-N40 WeakPolarHBondContact O-CB 3.42Å; E36-N40 VanDerWaalsContact O-CG 3.27Å; E36-N40 PolarHBondContact O-N 3.4Å; E36-N40 PolarHBondContact O-ND2 3.22Å
37I82.1Confident84.7Confident95 Ų9598.3 Ų98.349%0.48749%0.492SS..Hα-helixtrans-57.6-51.7175-71.3166.4000109.7A33 E34 A39 N40 F41A33-I37 WeakPolarHBondContact O-CB 3.24Å; A33-I37 WeakPolarHBondContact O-CD1 3.36Å; A33-I37 WeakPolarHBondContact O-CG1 3.35Å; A33-I37 PolarHBondContact O-N 2.85Å; E34-I37 PolarHBondContact O-N 3.43Å; I37-A39 PolarHBondContact O-N 3.42Å; I37-N40 PolarHBondContact O-N 3.44Å; I37-F41 HydrophobicContact CG2-CD2 3.68Å; I37-F41 HydrophobicContact CG2-CE2 3.82Å; I37-F41 VanDerWaalsContact O-CD2 3.27Å; I37-F41 WeakPolarHBondContact O-CD2 3.37Å; I37-F41 PolarHBondContact O-N 2.88Å
38R86.1Confident84.4Confident165 Ų16596.8 Ų96.862%0.62348%0.483SS*.Hα-helixtrans-61-43.5-179.6-73.6176.5179.7-147.72.2112E34 F35 E36 K42E34-R38 HydrophobicContact CG-CG 4.4Å; E34-R38 WeakPolarHBondContact O-CB 3.44Å; E34-R38 VanDerWaalsContact O-CG 3.28Å; E34-R38 WeakPolarHBondContact O-CG 3.45Å; E34-R38 PolarHBondContact O-N 2.76Å; E34-R38 IonicContact OE1-CZ 3.57Å; E34-R38 IonicContact OE1-NE 2.74Å; E34-R38 PolarHBondContact OE1-NE 3.25Å; E34-R38 IonicContact OE1-NH2 2.82Å; E34-R38 PolarHBondContact OE1-NH2 3.4Å; F35-R38 PolarHBondContact O-N 3.22Å; E36-R38 PolarHBondContact O-N 3.06Å; R38-K42 VanDerWaalsContact O-CB 3.27Å; R38-K42 WeakPolarHBondContact O-CB 3.32Å; R38-K42 PolarHBondContact O-N 2.86Å
39A81.3Confident84.2Confident42 Ų4294.8 Ų94.835%0.34748%0.481SS..Hα-helixtrans-64.1-44178.700000111.7F35 E36 I37 K42 N43F35-A39 VanDerWaalsContact O-CB 3.29Å; F35-A39 WeakPolarHBondContact O-CB 3.24Å; F35-A39 PolarHBondContact O-N 3.46Å; E36-A39 PolarHBondContact O-N 3.02Å; I37-A39 PolarHBondContact O-N 3.42Å; A39-K42 PolarHBondContact O-N 3.18Å; A39-N43 WeakPolarHBondContact O-CB 3.19Å; A39-N43 PolarHBondContact O-N 2.77Å
40N78.2Confident84Confident77 Ų7796.6 Ų96.641%0.41248%0.484SS..Hα-helixtrans-64-47.5177.9-76.9-26.2000111.8E36 I37 K42 N43 L44E36-N40 VanDerWaalsContact O-CB 3.3Å; E36-N40 WeakPolarHBondContact O-CB 3.42Å; E36-N40 VanDerWaalsContact O-CG 3.27Å; E36-N40 PolarHBondContact O-N 3.4Å; E36-N40 PolarHBondContact O-ND2 3.22Å; I37-N40 PolarHBondContact O-N 3.44Å; N40-K42 VanDerWaalsContact C-N 3.34Å; N40-K42 PolarHBondContact O-N 3.08Å; N40-N43 PolarHBondContact O-N 2.8Å; N40-L44 WeakPolarHBondContact O-CB 3.44Å; N40-L44 PolarHBondContact O-N 2.95Å
41F84Confident83.5Confident126 Ų12695.6 Ų95.655%0.55347%0.472SS*.Hα-helixtrans-64.2-38.7177.1-85.8-74.9000112.2I37 L44 I45I37-F41 HydrophobicContact CG2-CD2 3.68Å; I37-F41 HydrophobicContact CG2-CE2 3.82Å; I37-F41 VanDerWaalsContact O-CD2 3.27Å; I37-F41 WeakPolarHBondContact O-CD2 3.37Å; I37-F41 PolarHBondContact O-N 2.88Å; F41-L44 PolarHBondContact O-N 2.75Å; F41-I45 WeakPolarHBondContact O-CB 3.46Å; F41-I45 WeakPolarHBondContact O-CD1 3.17Å; F41-I45 WeakPolarHBondContact O-CG1 3.4Å; F41-I45 PolarHBondContact O-N 3.41Å
42K85Confident83.2Confident153 Ų15396.4 Ų96.467%0.66547%0.473SS*.Hα-helixtrans-61.3-46.2175.6-172.4179.3178.6-175.20111.6R38 A39 N40 I45 E46R38-K42 VanDerWaalsContact O-CB 3.27Å; R38-K42 WeakPolarHBondContact O-CB 3.32Å; R38-K42 PolarHBondContact O-N 2.86Å; A39-K42 PolarHBondContact O-N 3.18Å; N40-K42 VanDerWaalsContact C-N 3.34Å; N40-K42 PolarHBondContact O-N 3.08Å; K42-I45 PolarHBondContact O-N 3.28Å; K42-E46 WeakPolarHBondContact O-CB 3.17Å; K42-E46 PolarHBondContact O-N 3.31Å
43N82.4Confident83.1Confident85 Ų8595.1 Ų95.146%0.45547%0.471SS..Hα-helixtrans-64.3-41.4176.8-170.19.3000111.6A39 N40 I45 E46 L47A39-N43 WeakPolarHBondContact O-CB 3.19Å; A39-N43 PolarHBondContact O-N 2.77Å; N40-N43 PolarHBondContact O-N 2.8Å; N43-I45 PolarHBondContact O-N 2.74Å; N43-E46 PolarHBondContact O-N 3.43Å; N43-L47 WeakPolarHBondContact O-CB 3.49Å; N43-L47 VanDerWaalsContact O-CG 3.31Å; N43-L47 WeakPolarHBondContact O-CG 3.38Å; N43-L47 PolarHBondContact O-N 3.47Å
44L79.5Confident83.1Confident70 Ų7096.8 Ų96.837%0.36647%0.473SS..Hα-helixtrans-59.3-46.9175.8-163.186.5000111.6N40 F41 E46 L47 L48 L137N40-L44 WeakPolarHBondContact O-CB 3.44Å; N40-L44 PolarHBondContact O-N 2.95Å; F41-L44 PolarHBondContact O-N 2.75Å; L44-E46 VanDerWaalsContact C-N 3.34Å; L44-E46 PolarHBondContact O-N 2.96Å; L44-L47 PolarHBondContact O-N 2.88Å; L44-L48 HydrophobicContact CG-CD1 4.48Å; L44-L48 WeakPolarHBondContact O-CB 3.45Å; L44-L48 VanDerWaalsContact O-CG 3.3Å; L44-L48 WeakPolarHBondContact O-CG 3.48Å; L44-L48 PolarHBondContact O-N 3.14Å; L44-L137 HydrophobicContact CB-CD1 4.46Å; L44-L137 HydrophobicContact CD1-CB 3.81Å; L44-L137 HydrophobicContact CD1-CD1 3.2Å; L44-L137 HydrophobicContact CD1-CG 4.09Å; L44-L137 HydrophobicContact CG-CD1 3.55Å
45I85Confident82.7Confident110 Ų11094.5 Ų94.556%0.56446%0.463SS*.Hα-helixtrans-62.6-42.1177.8-69.5165.4000110.6F41 K42 N43 L48 S49F41-I45 WeakPolarHBondContact O-CB 3.46Å; F41-I45 WeakPolarHBondContact O-CD1 3.17Å; F41-I45 WeakPolarHBondContact O-CG1 3.4Å; F41-I45 PolarHBondContact O-N 3.41Å; K42-I45 PolarHBondContact O-N 3.28Å; N43-I45 PolarHBondContact O-N 2.74Å; I45-L48 PolarHBondContact O-N 2.95Å; I45-S49 WeakPolarHBondContact O-CB 3.44Å; I45-S49 PolarHBondContact O-N 3.19Å
46E84.5Confident82.6Confident127 Ų12792.8 Ų92.859%0.59346%0.46SS*.Hα-helixtrans-63.4-44.5177-172.2178.7166.200111.9K42 N43 L44 L48 S49 K50K42-E46 WeakPolarHBondContact O-CB 3.17Å; K42-E46 PolarHBondContact O-N 3.31Å; N43-E46 PolarHBondContact O-N 3.43Å; L44-E46 VanDerWaalsContact C-N 3.34Å; L44-E46 PolarHBondContact O-N 2.96Å; E46-L48 PolarHBondContact O-N 3.33Å; E46-S49 PolarHBondContact O-N 3.14Å; E46-K50 WeakPolarHBondContact O-CB 3.46Å; E46-K50 PolarHBondContact O-N 3.45Å
47L80.3Confident82.8Confident76 Ų7692.6 Ų92.640%0.39846%0.462SS..Hα-helixtrans-63.8-40.9176.1-71.7171000112.1N43 L44 R51 L137N43-L47 WeakPolarHBondContact O-CB 3.49Å; N43-L47 VanDerWaalsContact O-CG 3.31Å; N43-L47 WeakPolarHBondContact O-CG 3.38Å; N43-L47 PolarHBondContact O-N 3.47Å; L44-L47 PolarHBondContact O-N 2.88Å; L47-R51 VanDerWaalsContact O-CB 3.3Å; L47-R51 WeakPolarHBondContact O-CB 3.33Å; L47-R51 PolarHBondContact O-N 3.42Å; L47-L137 HydrophobicContact CB-CD1 4.01Å; L47-L137 HydrophobicContact CB-CD2 3.9Å; L47-L137 HydrophobicContact CD1-CD2 4.18Å
48L82.1Confident82.6Confident51 Ų5190.6 Ų90.627%0.26745%0.45SS..Hα-helixtrans-63.8-43.6174.4-73.6173.6000111.4L44 I45 E46 R51 Q52 L137L44-L48 HydrophobicContact CG-CD1 4.48Å; L44-L48 WeakPolarHBondContact O-CB 3.45Å; L44-L48 VanDerWaalsContact O-CG 3.3Å; L44-L48 WeakPolarHBondContact O-CG 3.48Å; L44-L48 PolarHBondContact O-N 3.14Å; I45-L48 PolarHBondContact O-N 2.95Å; E46-L48 PolarHBondContact O-N 3.33Å; L48-R51 PolarHBondContact O-N 3.47Å; L48-Q52 WeakPolarHBondContact O-CB 3.39Å; L48-Q52 PolarHBondContact O-N 2.96Å; L48-L137 HydrophobicContact CD2-CD1 3.99Å; L48-L137 HydrophobicContact CG-CD1 3.84Å
49S85Confident82.3Confident67 Ų6785.6 Ų85.647%0.46944%0.436SS..Hα-helixtrans-62.1-46.5176.8179.30000111.7I45 E46 R51 Q52 S53I45-S49 WeakPolarHBondContact O-CB 3.44Å; I45-S49 PolarHBondContact O-N 3.19Å; E46-S49 PolarHBondContact O-N 3.14Å; S49-R51 VanDerWaalsContact C-N 3.3Å; S49-R51 PolarHBondContact O-N 3.2Å; S49-Q52 WeakPolarHBondContact O-CB 3.49Å; S49-Q52 PolarHBondContact O-N 2.94Å; S49-S53 PolarHBondContact O-N 2.85Å
50K84Confident82.5Confident140 Ų14089.8 Ų89.861%0.60945%0.448SS*.Hα-helixtrans-60.4-40.9175.2-172.8173.5-176.5173.50111.7E46 S53 N54E46-K50 WeakPolarHBondContact O-CB 3.46Å; E46-K50 PolarHBondContact O-N 3.45Å; K50-S53 PolarHBondContact O-N 3.31Å; K50-N54 PolarHBondContact O-N 3.13Å
51R76Confident82.9Confident59 Ų5990.4 Ų90.422%0.22345%0.451CS..Hα-helixtrans-67.1-41.5176.9-173.9174.4-178.7135.12.7112.2L47 L48 S49 N54 L55 M130 T133L47-R51 VanDerWaalsContact O-CB 3.3Å; L47-R51 WeakPolarHBondContact O-CB 3.33Å; L47-R51 PolarHBondContact O-N 3.42Å; L48-R51 PolarHBondContact O-N 3.47Å; S49-R51 VanDerWaalsContact C-N 3.3Å; S49-R51 PolarHBondContact O-N 3.2Å; R51-N54 PolarHBondContact O-N 3.41Å; R51-L55 HydrophobicContact CG-CD1 4.48Å; R51-L55 WeakPolarHBondContact O-CG 3.44Å; R51-L55 PolarHBondContact O-N 3.41Å; R51-M130 PolarHBondContact NH2-O 3.23Å; R51-T133 PolarHBondContact NH1-O 3.01Å; R51-T133 PolarHBondContact NH2-O 2.9Å; R51-T133 PolarHBondContact NH2-OG1 2.92Å
52Q84.4Confident82.7Confident128 Ų12885.6 Ų85.660%0.59843%0.431SS*.Hα-helixtrans-59.2-46.9174.2179.3-174.4-2.600111.1L48 S49 N54 L55 L56L48-Q52 WeakPolarHBondContact O-CB 3.39Å; L48-Q52 PolarHBondContact O-N 2.96Å; S49-Q52 WeakPolarHBondContact O-CB 3.49Å; S49-Q52 PolarHBondContact O-N 2.94Å; Q52-N54 VanDerWaalsContact C-N 3.35Å; Q52-N54 PolarHBondContact O-N 2.71Å; Q52-L55 PolarHBondContact O-N 3.35Å; Q52-L56 PolarHBondContact O-N 2.93Å
53S84.7Confident82.5Confident62 Ų6280.3 Ų80.343%0.43442%0.415SS..Hα-helixtrans-58.3-45.8175.8-179.50000111.7S49 K50 L55 L56 I57S49-S53 PolarHBondContact O-N 2.85Å; K50-S53 PolarHBondContact O-N 3.31Å; S53-L55 PolarHBondContact O-N 3.03Å; S53-L56 PolarHBondContact O-N 3.33Å; S53-I57 WeakPolarHBondContact O-CG1 3.36Å; S53-I57 PolarHBondContact O-N 2.71Å
54N83.3Confident82.7Confident80 Ų8082.4 Ų82.443%0.42842%0.42SS..Hα-helixtrans-61.2-41.9176.1-75.1-16.9000113.2K50 R51 Q52 L56 I57 Q58K50-N54 PolarHBondContact O-N 3.13Å; R51-N54 PolarHBondContact O-N 3.41Å; Q52-N54 VanDerWaalsContact C-N 3.35Å; Q52-N54 PolarHBondContact O-N 2.71Å; N54-L56 VanDerWaalsContact C-N 3.32Å; N54-I57 PolarHBondContact O-N 2.97Å; N54-Q58 WeakPolarHBondContact O-CG 3.25Å; N54-Q58 PolarHBondContact O-N 3.46Å
55L79Confident82.7Confident27 Ų2785.6 Ų85.614%0.14143%0.433CS..Hα-helixtrans-62.8-40.2176.1-77.2172000111.5R51 Q52 S53 Q58 L59 L127 M130 F134R51-L55 HydrophobicContact CG-CD1 4.48Å; R51-L55 WeakPolarHBondContact O-CG 3.44Å; R51-L55 PolarHBondContact O-N 3.41Å; Q52-L55 PolarHBondContact O-N 3.35Å; S53-L55 PolarHBondContact O-N 3.03Å; L55-Q58 PolarHBondContact O-N 2.9Å; L55-L59 PolarHBondContact O-N 3.42Å; L55-L127 HydrophobicContact CD2-CD1 3.93Å; L55-M130 HydrophobicContact CD2-CB 3.91Å; L55-F134 HydrophobicContact CD1-CD2 3.75Å; L55-F134 HydrophobicContact CD1-CE2 4.08Å
56L85.2Confident82.5Confident116 Ų11683.1 Ų83.161%0.60742%0.419SS*.Hα-helixtrans-66.5-40.6177.5-171.264.8000112Q52 S53 N54 Q58 L59 H60Q52-L56 PolarHBondContact O-N 2.93Å; S53-L56 PolarHBondContact O-N 3.33Å; N54-L56 VanDerWaalsContact C-N 3.32Å; L56-Q58 VanDerWaalsContact C-N 3.34Å; L56-Q58 PolarHBondContact O-N 3.16Å; L56-L59 HydrophobicContact CD1-CD2 4.5Å; L56-L59 PolarHBondContact O-N 2.96Å; L56-H60 WeakPolarHBondContact O-CB 3.39Å; L56-H60 PolarHBondContact O-N 2.96Å
57I86.1Confident82.6Confident89 Ų8980.6 Ų80.646%0.45642%0.415SS..Hα-helixtrans-60.6-44.1174.2-68.3165.3000110.6S53 N54 H60 N61S53-I57 WeakPolarHBondContact O-CG1 3.36Å; S53-I57 PolarHBondContact O-N 2.71Å; N54-I57 PolarHBondContact O-N 2.97Å; I57-H60 PolarHBondContact O-N 3.5Å; I57-N61 VanDerWaalsContact O-CG 3.3Å; I57-N61 PolarHBondContact O-N 3.44Å
58Q78.3Confident82.8Confident52 Ų5282 Ų8224%0.24342%0.422CS..Hα-helixtrans-64.3-42.6177.3-72.117830.600112.2N54 L55 L56 H60 N61 I62 M130N54-Q58 WeakPolarHBondContact O-CG 3.25Å; N54-Q58 PolarHBondContact O-N 3.46Å; L55-Q58 PolarHBondContact O-N 2.9Å; L56-Q58 VanDerWaalsContact C-N 3.34Å; L56-Q58 PolarHBondContact O-N 3.16Å; Q58-H60 VanDerWaalsContact C-N 3.27Å; Q58-H60 PolarHBondContact O-N 2.96Å; Q58-N61 PolarHBondContact O-N 3.11Å; Q58-I62 WeakPolarHBondContact O-CG1 3.32Å; Q58-I62 PolarHBondContact O-N 3.2Å; Q58-M130 PolarHBondContact NE2-SD 2.87Å
59L80.4Confident82.7Confident61 Ų6182.4 Ų82.432%0.31942%0.424SS..Hα-helixtrans-58.7-43175.1-171.173000111.1L55 L56 I62 A63 F120L55-L59 PolarHBondContact O-N 3.42Å; L56-L59 HydrophobicContact CD1-CD2 4.5Å; L56-L59 PolarHBondContact O-N 2.96Å; L59-I62 PolarHBondContact O-N 2.78Å; L59-A63 WeakPolarHBondContact O-CB 3.46Å; L59-A63 PolarHBondContact O-N 3.05Å; L59-F120 HydrophobicContact CD1-CB 4.09Å; L59-F120 HydrophobicContact CD1-CD1 3.26Å; L59-F120 HydrophobicContact CD1-CD2 4Å; L59-F120 HydrophobicContact CD1-CE1 3.5Å; L59-F120 VanDerWaalsContact CD1-CE1 3.5Å; L59-F120 HydrophobicContact CD1-CE2 4.19Å; L59-F120 HydrophobicContact CD1-CG 3.53Å; L59-F120 HydrophobicContact CD1-CZ 3.97Å; L59-F120 HydrophobicContact CG-CD1 4.41Å; L59-F120 HydrophobicContact CG-CE1 4.2Å; L59-F120 HydrophobicContact CG-CZ 4.43Å
60H85Confident82.5Confident130 Ų13082.5 Ų82.560%0.60242%0.419SS*.Hα-helixtrans-64.1-40176.3-171.170.1000112.4L56 I57 Q58 A63 K64L56-H60 WeakPolarHBondContact O-CB 3.39Å; L56-H60 PolarHBondContact O-N 2.96Å; I57-H60 PolarHBondContact O-N 3.5Å; Q58-H60 VanDerWaalsContact C-N 3.27Å; Q58-H60 PolarHBondContact O-N 2.96Å; H60-A63 PolarHBondContact O-N 2.75Å; H60-K64 WeakPolarHBondContact O-CB 3.49Å; H60-K64 PolarHBondContact O-N 3.18Å
61N85.8Confident82.6Confident89 Ų8980.4 Ų80.448%0.47641%0.411SS..Hα-helixtrans-63.3-44.3175.4-71.1-19.8000112.1I57 Q58 A63 K64 E65I57-N61 VanDerWaalsContact O-CG 3.3Å; I57-N61 PolarHBondContact O-N 3.44Å; Q58-N61 PolarHBondContact O-N 3.11Å; N61-A63 VanDerWaalsContact C-N 3.34Å; N61-K64 PolarHBondContact O-N 2.82Å; N61-E65 PolarHBondContact O-N 2.97Å
62I79.7Confident82.9Confident26 Ų2680.3 Ų80.313%0.13342%0.419CS..Hα-helixtrans-62.6-43.9176.2-64.7164.1000110.2Q58 L59 K64 E65 K66 F120 N124Q58-I62 WeakPolarHBondContact O-CG1 3.32Å; Q58-I62 PolarHBondContact O-N 3.2Å; L59-I62 PolarHBondContact O-N 2.78Å; I62-K64 VanDerWaalsContact C-N 3.31Å; I62-K64 PolarHBondContact O-N 2.74Å; I62-E65 PolarHBondContact O-N 3.12Å; I62-K66 HydrophobicContact CG2-CG 4.32Å; I62-K66 WeakPolarHBondContact O-CB 3.35Å; I62-K66 WeakPolarHBondContact O-CG 3.48Å; I62-K66 PolarHBondContact O-N 3.29Å; I62-F120 HydrophobicContact CB-CE1 4.28Å; I62-F120 HydrophobicContact CG2-CD1 3.99Å; I62-F120 HydrophobicContact CG2-CE1 3.86Å; I62-N124 WeakPolarHBondContact CD1-ND2 3.43Å
63A82.4Confident82.8Confident41 Ų4176 Ų7634%0.33940%0.4SS..Hα-helixtrans-60.6-41.2176.700000111.8L59 H60 N61 S67 F120L59-A63 WeakPolarHBondContact O-CB 3.46Å; L59-A63 PolarHBondContact O-N 3.05Å; H60-A63 PolarHBondContact O-N 2.75Å; N61-A63 VanDerWaalsContact C-N 3.34Å; A63-S67 WeakPolarHBondContact O-CB 3.41Å; A63-S67 PolarHBondContact O-N 3.21Å; A63-F120 HydrophobicContact CB-CZ 4.32Å
64K85.5Confident82.9Confident129 Ų12976.3 Ų76.356%0.56140%0.396SS*.Hα-helixtrans-64.2-44.9175.5-174.3179.4179.3-179.60112H60 N61 I62 S67 I68H60-K64 WeakPolarHBondContact O-CB 3.49Å; H60-K64 PolarHBondContact O-N 3.18Å; N61-K64 PolarHBondContact O-N 2.82Å; I62-K64 VanDerWaalsContact C-N 3.31Å; I62-K64 PolarHBondContact O-N 2.74Å; K64-S67 WeakPolarHBondContact O-CB 3.36Å; K64-S67 PolarHBondContact O-N 3.26Å; K64-I68 HydrophobicContact CG-CD1 4.17Å; K64-I68 VanDerWaalsContact O-CG1 3.32Å; K64-I68 WeakPolarHBondContact O-CG1 3.47Å; K64-I68 PolarHBondContact O-N 3.42Å
65E80.8Confident83Confident137 Ų13777.8 Ų77.864%0.6440%0.401SS*.Hα-helixtrans-60.7-48.1177-174.6-177.3171.100111.5N61 I62 S67 I68 L69N61-E65 PolarHBondContact O-N 2.97Å; I62-E65 PolarHBondContact O-N 3.12Å; E65-S67 VanDerWaalsContact C-N 3.3Å; E65-S67 PolarHBondContact O-N 2.89Å; E65-I68 PolarHBondContact O-N 2.91Å; E65-L69 PolarHBondContact O-N 2.98Å
66K80.7Confident83.2Confident59 Ų5979.4 Ų79.426%0.25741%0.412SS..Hα-helixtrans-63.5-36.1176.1-66.3-75.4-171.61720111.4I62 L69 I70 E123I62-K66 HydrophobicContact CG2-CG 4.32Å; I62-K66 WeakPolarHBondContact O-CB 3.35Å; I62-K66 WeakPolarHBondContact O-CG 3.48Å; I62-K66 PolarHBondContact O-N 3.29Å; K66-L69 PolarHBondContact O-N 3.37Å; K66-I70 VanDerWaalsContact O-CG1 3.25Å; K66-I70 WeakPolarHBondContact O-CG1 3.36Å; K66-I70 PolarHBondContact O-N 2.91Å; K66-E123 IonicContact NZ-OE2 2.96Å; K66-E123 PolarHBondContact NZ-OE2 2.96Å; K66-E123 VanDerWaalsContact NZ-OE2 3.08Å
67S86Confident83.1Confident74 Ų7477.7 Ų77.752%0.51740%0.402SS..Hα-helixtrans-64-41.3174-1730000112.7A63 K64 E65 L69 I70 E71A63-S67 WeakPolarHBondContact O-CB 3.41Å; A63-S67 PolarHBondContact O-N 3.21Å; K64-S67 WeakPolarHBondContact O-CB 3.36Å; K64-S67 PolarHBondContact O-N 3.26Å; E65-S67 VanDerWaalsContact C-N 3.3Å; E65-S67 PolarHBondContact O-N 2.89Å; S67-L69 VanDerWaalsContact C-N 3.33Å; S67-I70 PolarHBondContact O-N 3.4Å; S67-E71 PolarHBondContact O-N 3.26Å
68I83.4Confident83.2Confident106 Ų10678.3 Ų78.354%0.54440%0.403SS..Hα-helixtrans-65.1-41176.3-68163.5000110.3K64 E65 E71 S72K64-I68 HydrophobicContact CG-CD1 4.17Å; K64-I68 VanDerWaalsContact O-CG1 3.32Å; K64-I68 WeakPolarHBondContact O-CG1 3.47Å; K64-I68 PolarHBondContact O-N 3.42Å; E65-I68 PolarHBondContact O-N 2.91Å; I68-E71 PolarHBondContact O-N 3.2Å; I68-S72 WeakPolarHBondContact O-CB 3.49Å; I68-S72 PolarHBondContact O-N 3.18Å
69L80.5Confident83.5Confident58 Ų5878.8 Ų78.830%0.30441%0.412SS..Hα-helixtrans-62.3-43.5176.6-176.467.7000111.9E65 K66 S67 S72 N73 L114E65-L69 PolarHBondContact O-N 2.98Å; K66-L69 PolarHBondContact O-N 3.37Å; S67-L69 VanDerWaalsContact C-N 3.33Å; L69-S72 PolarHBondContact O-N 3.08Å; L69-N73 WeakPolarHBondContact O-CB 3.35Å; L69-N73 VanDerWaalsContact O-CG 3.29Å; L69-N73 PolarHBondContact O-N 2.91Å; L69-L114 HydrophobicContact CD1-CD2 3.92Å; L69-L114 HydrophobicContact CD2-CD2 3.69Å; L69-L114 HydrophobicContact CG-CD2 4.23Å
70I81.1Confident83.7Confident70 Ų7076.9 Ų76.936%0.35940%0.402SS..Hα-helixtrans-60.6-47.3175.3-69.4164.5000110.4K66 S67 S72 N73 I74 P116K66-I70 VanDerWaalsContact O-CG1 3.25Å; K66-I70 WeakPolarHBondContact O-CG1 3.36Å; K66-I70 PolarHBondContact O-N 2.91Å; S67-I70 PolarHBondContact O-N 3.4Å; I70-S72 PolarHBondContact O-N 3.49Å; I70-N73 PolarHBondContact O-N 3.47Å; I70-N73 VanDerWaalsContact O-N 3.16Å; I70-I74 HydrophobicContact CG2-CD1 3.89Å; I70-I74 HydrophobicContact CG2-CG1 4.45Å; I70-I74 WeakPolarHBondContact O-CG1 3.49Å; I70-I74 PolarHBondContact O-N 3.31Å; I70-P116 HydrophobicContact CD1-CB 3.89Å; I70-P116 HydrophobicContact CD1-CG 3.83Å; I70-P116 HydrophobicContact CG1-CB 4.28Å; I70-P116 HydrophobicContact CG1-CG 4.01Å
71E85.3Confident83.7Confident95 Ų9578.1 Ų78.144%0.44440%0.402SS..Hα-helixtrans-62-42.7179.4-173.558.5-148.900111.9S67 I68 N73 I74 Q75S67-E71 PolarHBondContact O-N 3.26Å; I68-E71 PolarHBondContact O-N 3.2Å; E71-N73 VanDerWaalsContact C-N 3.32Å; E71-N73 PolarHBondContact O-N 3.44Å; E71-I74 PolarHBondContact O-N 3.44Å; E71-Q75 WeakPolarHBondContact O-CG 3.45Å; E71-Q75 PolarHBondContact O-N 2.69Å; E71-Q75 PolarHBondContact OE1-NE2 2.91Å
72S82.5Confident83.6Confident57 Ų5778.4 Ų78.440%0.39940%0.403SS..Hα-helixtrans-60.3-41.1173.7-176.80000112I68 L69 I70 Q75 T76I68-S72 WeakPolarHBondContact O-CB 3.49Å; I68-S72 PolarHBondContact O-N 3.18Å; L69-S72 PolarHBondContact O-N 3.08Å; I70-S72 PolarHBondContact O-N 3.49Å; S72-Q75 PolarHBondContact O-N 3.39Å; S72-T76 WeakPolarHBondContact O-CG2 3.49Å; S72-T76 PolarHBondContact O-N 3.46Å; S72-T76 PolarHBondContact O-OG1 3.25Å
73N83.2Confident83.8Confident38 Ų3879.3 Ų79.320%0.20341%0.41CS..Hα-helixtrans-67-38.6176.5-72.3-11000111.6L69 I70 E71 T76 I77L69-N73 WeakPolarHBondContact O-CB 3.35Å; L69-N73 VanDerWaalsContact O-CG 3.29Å; L69-N73 PolarHBondContact O-N 2.91Å; I70-N73 PolarHBondContact O-N 3.47Å; I70-N73 VanDerWaalsContact O-N 3.16Å; E71-N73 VanDerWaalsContact C-N 3.32Å; E71-N73 PolarHBondContact O-N 3.44Å; N73-T76 WeakPolarHBondContact CA-OG1 3.33Å; N73-T76 PolarHBondContact O-N 3.02Å; N73-T76 PolarHBondContact O-OG1 3.16Å; N73-I77 WeakPolarHBondContact O-CD1 3.49Å; N73-I77 VanDerWaalsContact O-CG1 3.24Å; N73-I77 WeakPolarHBondContact O-CG1 3.44Å; N73-I77 PolarHBondContact O-N 3.13Å
74I87.1Confident83.7Confident69 Ų6979.1 Ų79.135%0.35440%0.403SS..Hα-helixtrans-60.3-48.3173.5-69.5167.6000110.2I70 E71 T76 I77 E78I70-I74 HydrophobicContact CG2-CD1 3.89Å; I70-I74 HydrophobicContact CG2-CG1 4.45Å; I70-I74 WeakPolarHBondContact O-CG1 3.49Å; I70-I74 PolarHBondContact O-N 3.31Å; E71-I74 PolarHBondContact O-N 3.44Å; I74-T76 PolarHBondContact O-N 2.73Å; I74-I77 PolarHBondContact O-N 3.39Å; I74-E78 HydrophobicContact CG2-CG 4.33Å; I74-E78 WeakPolarHBondContact O-CG 3.49Å; I74-E78 PolarHBondContact O-N 2.8Å
75Q86Confident83.5Confident111 Ų11177.4 Ų77.452%0.51940%0.4SS..Hα-helixtrans-62-40.9-179.6-71.3175.410.700112.9E71 S72 E78 S79E71-Q75 WeakPolarHBondContact O-CG 3.45Å; E71-Q75 PolarHBondContact O-N 2.69Å; E71-Q75 PolarHBondContact OE1-NE2 2.91Å; S72-Q75 PolarHBondContact O-N 3.39Å; Q75-E78 PolarHBondContact O-N 3.35Å; Q75-S79 WeakPolarHBondContact O-CB 3.26Å; Q75-S79 PolarHBondContact O-N 3.1Å; Q75-S79 PolarHBondContact O-OG 3.03Å
76T82.3Confident83.6Confident61 Ų6177.1 Ų77.137%0.37440%0.398SS..Hα-helixtrans-64.7-42.4176.1540000111.7S72 N73 I74 S79 L80S72-T76 WeakPolarHBondContact O-CG2 3.49Å; S72-T76 PolarHBondContact O-N 3.46Å; S72-T76 PolarHBondContact O-OG1 3.25Å; N73-T76 WeakPolarHBondContact CA-OG1 3.33Å; N73-T76 PolarHBondContact O-N 3.02Å; N73-T76 PolarHBondContact O-OG1 3.16Å; I74-T76 PolarHBondContact O-N 2.73Å; T76-S79 PolarHBondContact O-N 3.38Å; T76-S79 PolarHBondContact O-OG 3.45Å; T76-L80 WeakPolarHBondContact O-CG 3.4Å; T76-L80 PolarHBondContact O-N 2.85Å; T76-L80 VanDerWaalsContact O-N 3.08Å
77I83.1Confident83.3Confident79 Ų7974.5 Ų74.541%0.40539%0.387SS..Hα-helixtrans-62.1-46.3174.7-67.8166.2000111.1N73 I74 S79 L80 R81N73-I77 WeakPolarHBondContact O-CD1 3.49Å; N73-I77 VanDerWaalsContact O-CG1 3.24Å; N73-I77 WeakPolarHBondContact O-CG1 3.44Å; N73-I77 PolarHBondContact O-N 3.13Å; I74-I77 PolarHBondContact O-N 3.39Å; I77-S79 PolarHBondContact O-N 2.99Å; I77-L80 PolarHBondContact O-N 3.31Å; I77-R81 WeakPolarHBondContact O-CB 3.41Å; I77-R81 PolarHBondContact O-N 3.16Å
78E87.5Confident82.7Confident103 Ų10374.8 Ų74.848%0.48139%0.388SS..Hα-helixtrans-63.5-41.2178.3-74.3-172.2163.400112.3I74 Q75 L80 R81 N82I74-E78 HydrophobicContact CG2-CG 4.33Å; I74-E78 WeakPolarHBondContact O-CG 3.49Å; I74-E78 PolarHBondContact O-N 2.8Å; Q75-E78 PolarHBondContact O-N 3.35Å; E78-L80 PolarHBondContact O-N 3.39Å; E78-R81 PolarHBondContact O-N 3.38Å; E78-N82 WeakPolarHBondContact O-CB 3.38Å; E78-N82 VanDerWaalsContact O-CG 3.23Å; E78-N82 PolarHBondContact O-N 3.36Å; E78-N82 PolarHBondContact O-ND2 3.09Å
79S85.3Confident82.3Confident61 Ų6175.6 Ų75.643%0.42740%0.398SS..Hα-helixtrans-61.3-43.7176.875.40000111.7Q75 T76 I77 N82 V83Q75-S79 WeakPolarHBondContact O-CB 3.26Å; Q75-S79 PolarHBondContact O-N 3.1Å; Q75-S79 PolarHBondContact O-OG 3.03Å; T76-S79 PolarHBondContact O-N 3.38Å; T76-S79 PolarHBondContact O-OG 3.45Å; I77-S79 PolarHBondContact O-N 2.99Å; S79-N82 PolarHBondContact O-N 2.91Å; S79-V83 VanDerWaalsContact O-CG2 3.29Å; S79-V83 WeakPolarHBondContact O-CG2 3.3Å; S79-V83 PolarHBondContact O-N 3.48Å
80L83.9Confident81.6Confident21 Ų2175.5 Ų75.511%0.1140%0.4CS..Hα-helixtrans-69.4-39.4177.9-72.3169.6000112.1T76 I77 E78 N82 V83 L84 R104 I108T76-L80 WeakPolarHBondContact O-CG 3.4Å; T76-L80 PolarHBondContact O-N 2.85Å; T76-L80 VanDerWaalsContact O-N 3.08Å; I77-L80 PolarHBondContact O-N 3.31Å; E78-L80 PolarHBondContact O-N 3.39Å; L80-N82 VanDerWaalsContact C-N 3.33Å; L80-N82 PolarHBondContact O-N 3.3Å; L80-V83 PolarHBondContact O-N 2.94Å; L80-L84 WeakPolarHBondContact O-CB 3.42Å; L80-L84 WeakPolarHBondContact O-CG 3.39Å; L80-L84 PolarHBondContact O-N 3.35Å; L80-R104 HydrophobicContact CD1-CG 4.45Å; L80-R104 HydrophobicContact CD2-CG 4.32Å; L80-I108 HydrophobicContact CD1-CD1 3.13Å; L80-I108 HydrophobicContact CD1-CG1 4.41Å
81R85.4Confident80.6Confident157 Ų15783.4 Ų83.459%0.59243%0.425SS*.Hα-helixtrans-59.1-45.2173.2-178.8-178.6175.2-131.7-1.2111.2I77 E78 L84 L85I77-R81 WeakPolarHBondContact O-CB 3.41Å; I77-R81 PolarHBondContact O-N 3.16Å; E78-R81 PolarHBondContact O-N 3.38Å; R81-L84 PolarHBondContact O-N 2.93Å; R81-L85 HydrophobicContact CG-CD1 4.08Å; R81-L85 WeakPolarHBondContact O-CB 3.39Å; R81-L85 VanDerWaalsContact O-CG 3.3Å; R81-L85 WeakPolarHBondContact O-CG 3.28Å; R81-L85 PolarHBondContact O-N 3.18Å
82N84.5Confident79.4Confident94 Ų9486.4 Ų86.450%0.50344%0.444SS..Hα-helixtrans-65-43.3179.1-72.7-20.8000111.8E78 S79 L80 L85 Q86E78-N82 WeakPolarHBondContact O-CB 3.38Å; E78-N82 VanDerWaalsContact O-CG 3.23Å; E78-N82 PolarHBondContact O-N 3.36Å; E78-N82 PolarHBondContact O-ND2 3.09Å; S79-N82 PolarHBondContact O-N 2.91Å; L80-N82 VanDerWaalsContact C-N 3.33Å; L80-N82 PolarHBondContact O-N 3.3Å; N82-L85 PolarHBondContact O-N 3.44Å; N82-Q86 WeakPolarHBondContact O-CB 3.34Å; N82-Q86 PolarHBondContact O-N 3.46Å
83V83.8Confident78.3Confident45 Ų4586.6 Ų86.627%0.27344%0.439SS..Hα-helixtrans-61.8-48.3176172.80000110.8S79 L80 L85 Q86 S87 Y101S79-V83 VanDerWaalsContact O-CG2 3.29Å; S79-V83 WeakPolarHBondContact O-CG2 3.3Å; S79-V83 PolarHBondContact O-N 3.48Å; L80-V83 PolarHBondContact O-N 2.94Å; V83-L85 PolarHBondContact O-N 3.14Å; V83-Q86 PolarHBondContact O-N 2.84Å; V83-S87 WeakPolarHBondContact O-CB 3.13Å; V83-S87 PolarHBondContact O-N 3.32Å; V83-S87 PolarHBondContact O-OG 2.99Å; V83-Y101 HydrophobicContact CG1-CD1 3.92Å; V83-Y101 HydrophobicContact CG1-CD2 3.89Å; V83-Y101 HydrophobicContact CG1-CE1 3.54Å; V83-Y101 HydrophobicContact CG1-CE2 3.52Å; V83-Y101 HydrophobicContact CG1-CG 4.1Å
84L80.9Confident77.4Confident38 Ų3890.3 Ų90.320%0.19946%0.458CS..Hα-helixtrans-58.8-43.7176.8-79.8168.9000112.7L80 R81 C88 Y101 V102 A105L80-L84 WeakPolarHBondContact O-CB 3.42Å; L80-L84 WeakPolarHBondContact O-CG 3.39Å; L80-L84 PolarHBondContact O-N 3.35Å; R81-L84 PolarHBondContact O-N 2.93Å; L84-C88 PolarHBondContact O-N 3.49Å; L84-C88 PolarHBondContact O-SG 3.4Å; L84-Y101 HydrophobicContact CD2-CG 4.43Å; L84-V102 HydrophobicContact CD2-CG2 4.04Å; L84-A105 HydrophobicContact CD1-CB 4.33Å
85L81.2Confident76.6Confident93 Ų9393.5 Ų93.549%0.48748%0.475SS..Hα-helixtrans-64.9-41.8176.9-74.6172.3000111.4R81 N82 V83 C88 V89R81-L85 HydrophobicContact CG-CD1 4.08Å; R81-L85 WeakPolarHBondContact O-CB 3.39Å; R81-L85 VanDerWaalsContact O-CG 3.3Å; R81-L85 WeakPolarHBondContact O-CG 3.28Å; R81-L85 PolarHBondContact O-N 3.18Å; N82-L85 PolarHBondContact O-N 3.44Å; V83-L85 PolarHBondContact O-N 3.14Å; L85-C88 PolarHBondContact O-N 2.94Å; L85-V89 VanDerWaalsContact O-CG2 3.31Å; L85-V89 WeakPolarHBondContact O-CG2 3.48Å; L85-V89 PolarHBondContact O-N 3.39Å
86Q81.2Confident75.9Confident130 Ų13091 Ų9161%0.60747%0.47SS*.Hα-helixtrans-63.7-47.9177.5-173.7174.81.400111.2N82 V83 C88 V89 T90N82-Q86 WeakPolarHBondContact O-CB 3.34Å; N82-Q86 PolarHBondContact O-N 3.46Å; V83-Q86 PolarHBondContact O-N 2.84Å; Q86-C88 VanDerWaalsContact C-N 3.28Å; Q86-C88 PolarHBondContact O-N 2.93Å; Q86-V89 PolarHBondContact O-N 2.94Å; Q86-V89 VanDerWaalsContact O-N 3.1Å; Q86-T90 PolarHBondContact O-N 3.48Å; Q86-T90 PolarHBondContact O-OG1 2.81Å
87S75.2Confident75.5Confident4 Ų492.9 Ų92.93%0.02847%0.473CS..Hα-helixtrans-58.2-37.6176-56.60000112.5V83 T90 E93V83-S87 WeakPolarHBondContact O-CB 3.13Å; V83-S87 PolarHBondContact O-N 3.32Å; V83-S87 PolarHBondContact O-OG 2.99Å; S87-T90 CarbonylContact O-C 3.47Å; S87-E93 WeakPolarHBondContact CB-OE2 3.33Å; S87-E93 PolarHBondContact OG-OE2 3.31Å
88C73.6Confident75Confident81 Ų8191 Ų9155%0.54746%0.463SS..Hα-helixtrans-68.6-36.5175.2-67.30000113.2L84 L85 Q86L84-C88 PolarHBondContact O-N 3.49Å; L84-C88 PolarHBondContact O-SG 3.4Å; L85-C88 PolarHBondContact O-N 2.94Å; Q86-C88 VanDerWaalsContact C-N 3.28Å; Q86-C88 PolarHBondContact O-N 2.93Å
89V73.7Confident74.5Confident122 Ų12288.5 Ų88.574%0.73946%0.457SS*.Hα-helixtrans-75.1-43179.7171.70000110.6L85 Q86 R91L85-V89 VanDerWaalsContact O-CG2 3.31Å; L85-V89 WeakPolarHBondContact O-CG2 3.48Å; L85-V89 PolarHBondContact O-N 3.39Å; Q86-V89 PolarHBondContact O-N 2.94Å; Q86-V89 VanDerWaalsContact O-N 3.1Å; V89-R91 PolarHBondContact O-N 2.91Å; V89-R91 VanDerWaalsContact O-N 3.15Å
90T65.8Low74.2Confident56 Ų5689.6 Ų89.634%0.34446%0.458SS..SBendtrans-82.887.4172.759.50000108.9Q86 S87 N92 E93Q86-T90 PolarHBondContact O-N 3.48Å; Q86-T90 PolarHBondContact O-OG1 2.81Å; S87-T90 CarbonylContact O-C 3.47Å; T90-N92 PolarHBondContact O-N 2.84Å; T90-E93 PolarHBondContact O-N 2.79Å
91R61.8Low73.9Confident237 Ų23791 Ų9189%0.89446%0.463SS*.THydrogen-bonded Turntrans-53.710.2172.9-73.1-174.3174.4-175-2.2115.9V89V89-R91 PolarHBondContact O-N 2.91Å; V89-R91 VanDerWaalsContact O-N 3.15Å
92N60Low73.6Confident157 Ų15786.1 Ų86.184%0.8445%0.45SS*.THydrogen-bonded Turntrans-100.8-7.9-177.8-69.5-5.4000113.3T90T90-N92 PolarHBondContact O-N 2.84Å
93E58.6Low73.4Confident62 Ų6287.3 Ų87.329%0.2945%0.451SS..SBendtrans-83.7132.2174.5-63.9-158.1149.200110.6S87 T90 D95S87-E93 WeakPolarHBondContact CB-OE2 3.33Å; S87-E93 PolarHBondContact OG-OE2 3.31Å; T90-E93 PolarHBondContact O-N 2.79Å; E93-D95 PolarHBondContact O-N 3.01Å
94I63.9Low73.1Confident116 Ų11691.2 Ų91.260%0.59546%0.461SS*.  trans-56.3130.6179.4-50.6168000107.5S96 K97I94-S96 WeakPolarHBondContact CB-OG 3.34Å; I94-S96 WeakPolarHBondContact CG2-OG 3.1Å; I94-S96 PolarHBondContact O-N 2.82Å; I94-K97 PolarHBondContact O-N 3Å
95D70Confident72.7Confident135 Ų13591.4 Ų91.472%0.72247%0.468SS*.Hα-helixtrans-47.2-25176.9-70-35.3000112.9E93 I98 S99E93-D95 PolarHBondContact O-N 3.01Å; D95-I98 PolarHBondContact O-N 3.41Å; D95-S99 WeakPolarHBondContact O-CB 3.23Å; D95-S99 PolarHBondContact O-N 2.71Å
96S72.5Confident72.4Confident60 Ų6094 Ų9442%0.4248%0.478SS..Hα-helixtrans-60.5-44.3172.364.20000114I94 S99 D100I94-S96 WeakPolarHBondContact CB-OG 3.34Å; I94-S96 WeakPolarHBondContact CG2-OG 3.1Å; I94-S96 PolarHBondContact O-N 2.82Å; S96-S99 WeakPolarHBondContact O-CB 3.29Å; S96-S99 PolarHBondContact O-N 3.23Å; S96-D100 VanDerWaalsContact O-CG 3.24Å; S96-D100 PolarHBondContact O-N 3.34Å
97K73.9Confident71.8Confident99 Ų9991.6 Ų91.643%0.4348%0.475SS..Hα-helixtrans-66.9-40.5178.1-77.1-173.9177.8-178.20111.4I94 S99 D100 Y101I94-K97 PolarHBondContact O-N 3Å; K97-S99 VanDerWaalsContact C-N 3.32Å; K97-D100 PolarHBondContact O-N 3.39Å; K97-Y101 HydrophobicContact CB-CE2 4.26Å; K97-Y101 WeakPolarHBondContact O-CD2 3.45Å; K97-Y101 PolarHBondContact O-N 2.95Å
98I73.1Confident71.4Confident39 Ų3994.5 Ų94.520%0.249%0.49CS..Hα-helixtrans-62.1-45.1174-63.1174000109.4D95 D100 Y101 V102D95-I98 PolarHBondContact O-N 3.41Å; I98-D100 VanDerWaalsContact C-N 3.3Å; I98-D100 PolarHBondContact O-N 3.45Å; I98-Y101 PolarHBondContact O-N 3.33Å; I98-V102 HydrophobicContact CG2-CG2 4.29Å; I98-V102 WeakPolarHBondContact O-CB 3.42Å; I98-V102 VanDerWaalsContact O-CG2 3.28Å; I98-V102 WeakPolarHBondContact O-CG2 3.38Å; I98-V102 PolarHBondContact O-N 3.43Å
99S76.4Confident70.7Confident51 Ų5195.1 Ų95.136%0.35749%0.491SS..Hα-helixtrans-58.8-40.4174.4-170.80000112.1D95 S96 K97 V102 K103D95-S99 WeakPolarHBondContact O-CB 3.23Å; D95-S99 PolarHBondContact O-N 2.71Å; S96-S99 WeakPolarHBondContact O-CB 3.29Å; S96-S99 PolarHBondContact O-N 3.23Å; K97-S99 VanDerWaalsContact C-N 3.32Å; S99-V102 PolarHBondContact O-N 3.22Å; S99-K103 WeakPolarHBondContact O-CB 3.3Å; S99-K103 VanDerWaalsContact O-CG 3.25Å; S99-K103 WeakPolarHBondContact O-CG 3.34Å; S99-K103 PolarHBondContact O-N 3Å
100D79.1Confident69.8Low84 Ų8494.1 Ų94.145%0.44948%0.481SS..Hα-helixtrans-66.8-38.8175.9-68.7-22.2000112.4S96 K97 I98 R104S96-D100 VanDerWaalsContact O-CG 3.24Å; S96-D100 PolarHBondContact O-N 3.34Å; K97-D100 PolarHBondContact O-N 3.39Å; I98-D100 VanDerWaalsContact C-N 3.3Å; I98-D100 PolarHBondContact O-N 3.45Å; D100-R104 VanDerWaalsContact O-CB 3.3Å; D100-R104 WeakPolarHBondContact O-CB 3.49Å; D100-R104 PolarHBondContact O-N 3.21Å
101Y76.2Confident69Low51 Ų5194.1 Ų94.120%0.248%0.481CS..Hα-helixtrans-70.1-36.3174.6-68.6-55.9000112.6V83 L84 K97 I98 R104 A105V83-Y101 HydrophobicContact CG1-CD1 3.92Å; V83-Y101 HydrophobicContact CG1-CD2 3.89Å; V83-Y101 HydrophobicContact CG1-CE1 3.54Å; V83-Y101 HydrophobicContact CG1-CE2 3.52Å; V83-Y101 HydrophobicContact CG1-CG 4.1Å; L84-Y101 HydrophobicContact CD2-CG 4.43Å; K97-Y101 HydrophobicContact CB-CE2 4.26Å; K97-Y101 WeakPolarHBondContact O-CD2 3.45Å; K97-Y101 PolarHBondContact O-N 2.95Å; I98-Y101 PolarHBondContact O-N 3.33Å; Y101-R104 PolarHBondContact O-N 3.23Å; Y101-A105 WeakPolarHBondContact O-CB 3.07Å; Y101-A105 PolarHBondContact O-N 3.41Å
102V79.4Confident68.4Low54 Ų5487.2 Ų87.233%0.32747%0.465SS..Hα-helixtrans-65.5-48.3173170.20000109.9L84 I98 S99 R104 A105 E106L84-V102 HydrophobicContact CD2-CG2 4.04Å; I98-V102 HydrophobicContact CG2-CG2 4.29Å; I98-V102 WeakPolarHBondContact O-CB 3.42Å; I98-V102 VanDerWaalsContact O-CG2 3.28Å; I98-V102 WeakPolarHBondContact O-CG2 3.38Å; I98-V102 PolarHBondContact O-N 3.43Å; S99-V102 PolarHBondContact O-N 3.22Å; V102-R104 PolarHBondContact O-N 3.32Å; V102-A105 CarbonylContact O-C 3.48Å; V102-A105 WeakPolarHBondContact O-CB 3.4Å; V102-A105 PolarHBondContact O-N 3.13Å; V102-A105 VanDerWaalsContact O-N 3.08Å; V102-E106 HydrophobicContact CG1-CG 4.32Å; V102-E106 WeakPolarHBondContact CG1-OE1 3.31Å; V102-E106 WeakPolarHBondContact O-CB 3.33Å; V102-E106 WeakPolarHBondContact O-CG 3.44Å; V102-E106 PolarHBondContact O-N 2.94Å
103K81.6Confident67.8Low120 Ų12085.7 Ų85.752%0.52246%0.457SS..Hα-helixtrans-56.8-40.9172.4-75.8173.2-174.2171.30111.5S99 E106 S107S99-K103 WeakPolarHBondContact O-CB 3.3Å; S99-K103 VanDerWaalsContact O-CG 3.25Å; S99-K103 WeakPolarHBondContact O-CG 3.34Å; S99-K103 PolarHBondContact O-N 3Å; K103-E106 PolarHBondContact O-N 3.42Å; K103-S107 WeakPolarHBondContact O-CB 3.24Å; K103-S107 PolarHBondContact O-N 3.41Å; K103-S107 PolarHBondContact O-OG 3.46Å
104R76.3Confident67Low126 Ų12686.1 Ų86.148%0.47546%0.461SS..Hα-helixtrans-63.2-44.4175.8-168.6-179.3-64.4166.63.7111.3L80 D100 Y101 V102 S107 I108L80-R104 HydrophobicContact CD1-CG 4.45Å; L80-R104 HydrophobicContact CD2-CG 4.32Å; D100-R104 VanDerWaalsContact O-CB 3.3Å; D100-R104 WeakPolarHBondContact O-CB 3.49Å; D100-R104 PolarHBondContact O-N 3.21Å; Y101-R104 PolarHBondContact O-N 3.23Å; V102-R104 PolarHBondContact O-N 3.32Å; R104-S107 WeakPolarHBondContact CA-OG 3.5Å; R104-S107 PolarHBondContact O-N 2.74Å; R104-S107 PolarHBondContact O-OG 3.37Å; R104-I108 WeakPolarHBondContact O-CG1 3.36Å; R104-I108 PolarHBondContact O-N 3.28Å; R104-I108 VanDerWaalsContact O-N 3.08Å
105A72.2Confident66.1Low43 Ų4381.4 Ų81.436%0.35544%0.44SS..Hα-helixtrans-64.5-41.4176.400000112.5L84 Y101 V102 S107 I108L84-A105 HydrophobicContact CD1-CB 4.33Å; Y101-A105 WeakPolarHBondContact O-CB 3.07Å; Y101-A105 PolarHBondContact O-N 3.41Å; V102-A105 CarbonylContact O-C 3.48Å; V102-A105 WeakPolarHBondContact O-CB 3.4Å; V102-A105 PolarHBondContact O-N 3.13Å; V102-A105 VanDerWaalsContact O-N 3.08Å; A105-S107 VanDerWaalsContact C-N 3.3Å; A105-I108 PolarHBondContact O-N 3.21Å
106E74.8Confident64.8Low148 Ų14878.1 Ų78.169%0.69243%0.425SS*.Hα-helixtrans-67.7-31174.4-70.4173.7173.500112.1V102 K103 I108V102-E106 HydrophobicContact CG1-CG 4.32Å; V102-E106 WeakPolarHBondContact CG1-OE1 3.31Å; V102-E106 WeakPolarHBondContact O-CB 3.33Å; V102-E106 WeakPolarHBondContact O-CG 3.44Å; V102-E106 PolarHBondContact O-N 2.94Å; K103-E106 PolarHBondContact O-N 3.42Å; E106-I108 VanDerWaalsContact C-N 3.35Å
107S70.1Confident63.5Low79 Ų7981.8 Ų81.855%0.55243%0.434SS*.Hα-helixtrans-80.8-10.4176.275.20000114.1K103 R104 A105 T109K103-S107 WeakPolarHBondContact O-CB 3.24Å; K103-S107 PolarHBondContact O-N 3.41Å; K103-S107 PolarHBondContact O-OG 3.46Å; R104-S107 WeakPolarHBondContact CA-OG 3.5Å; R104-S107 PolarHBondContact O-N 2.74Å; R104-S107 PolarHBondContact O-OG 3.37Å; A105-S107 VanDerWaalsContact C-N 3.3Å; S107-T109 PolarHBondContact O-N 3.28Å
108I65.8Low62.1Low65 Ų6583.7 Ų83.733%0.33345%0.447SS..  trans-72.380.5167.5-66.2168.7000106.9L80 R104 A105 E106 L110L80-I108 HydrophobicContact CD1-CD1 3.13Å; L80-I108 HydrophobicContact CD1-CG1 4.41Å; R104-I108 WeakPolarHBondContact O-CG1 3.36Å; R104-I108 PolarHBondContact O-N 3.28Å; R104-I108 VanDerWaalsContact O-N 3.08Å; A105-I108 PolarHBondContact O-N 3.21Å; E106-I108 VanDerWaalsContact C-N 3.35Å; I108-L110 PolarHBondContact O-N 3.25Å
109T59.2Low60.7Low94 Ų9483.4 Ų83.458%0.57745%0.451SS*.  trans-74.1112.3159.5-46.60000105.1S107 T111S107-T109 PolarHBondContact O-N 3.28Å; T109-T111 HydrophobicContact CG2-CG2 3.58Å; T109-T111 PolarHBondContact O-N 3.46Å
110L55.1Low59.2Low100 Ų10084.3 Ų84.352%0.52445%0.449SS..  trans-64.873.8155.3-64.5169.1000105.7I108 T112I108-L110 PolarHBondContact O-N 3.25Å; L110-T112 PolarHBondContact O-N 2.95Å
111T48.2Very low57.5Low57 Ų5786.2 Ų86.235%0.3546%0.455SS..  trans-55.7143.2179.149.30000107.2T109 D113 L114 A115T109-T111 HydrophobicContact CG2-CG2 3.58Å; T109-T111 PolarHBondContact O-N 3.46Å; T111-D113 PolarHBondContact O-N 2.97Å; T111-L114 CarbonylContact O-C 3.53Å; T111-L114 WeakPolarHBondContact O-CA 3.2Å; T111-L114 PolarHBondContact O-N 3.39Å; T111-A115 PolarHBondContact O-N 2.96Å
112T50.1Low56.2Low92 Ų9290.2 Ų90.256%0.56448%0.478SS*.THydrogen-bonded Turntrans-56.8-18.2-176.344.30000113.5L110 L114 A115 F117L110-T112 PolarHBondContact O-N 2.95Å; T112-L114 VanDerWaalsContact C-N 3.27Å; T112-L114 PolarHBondContact O-N 3.2Å; T112-A115 PolarHBondContact O-N 3.35Å; T112-F117 HydrophobicContact CG2-CE2 4.19Å
113D47.4Very low54.9Low124 Ų12492.4 Ų92.466%0.66349%0.485SS*.THydrogen-bonded Turntrans-71-22172.9-47.7-30000112.8T111T111-D113 PolarHBondContact O-N 2.97Å
114L41.8Very low53.4Low72 Ų7288.9 Ų88.938%0.37747%0.472SS..THydrogen-bonded Turntrans-111.8-13.2174.3-71.5166.8000112.7L69 T111 T112 P116L69-L114 HydrophobicContact CD1-CD2 3.92Å; L69-L114 HydrophobicContact CD2-CD2 3.69Å; L69-L114 HydrophobicContact CG-CD2 4.23Å; T111-L114 CarbonylContact O-C 3.53Å; T111-L114 WeakPolarHBondContact O-CA 3.2Å; T111-L114 PolarHBondContact O-N 3.39Å; T112-L114 VanDerWaalsContact C-N 3.27Å; T112-L114 PolarHBondContact O-N 3.2Å; L114-P116 WeakPolarHBondContact O-CD 3.38Å
115A44.9Very low52.7Low17 Ų1790.9 Ų90.914%0.1449%0.489CS..SBendtrans-62.6122168.300000106.9T111 T112 F117T111-A115 PolarHBondContact O-N 2.96Å; T112-A115 PolarHBondContact O-N 3.35Å; A115-F117 HydrophobicContact CB-CD2 3.68Å; A115-F117 HydrophobicContact CB-CE2 3.66Å; A115-F117 PolarHBondContact O-N 3.43Å
116P43.3Very low52.1Low65 Ų6595.2 Ų95.242%0.42250%0.501SS..  trans-74.963.3175.634.4-35.6000108I70 L114 I118I70-P116 HydrophobicContact CD1-CB 3.89Å; I70-P116 HydrophobicContact CD1-CG 3.83Å; I70-P116 HydrophobicContact CG1-CB 4.28Å; I70-P116 HydrophobicContact CG1-CG 4.01Å; L114-P116 WeakPolarHBondContact O-CD 3.38Å; P116-I118 VanDerWaalsContact C-N 3.27Å; P116-I118 PolarHBondContact O-N 3.05Å
117F44.7Very low51.1Low137 Ų13788.6 Ų88.660%0.60147%0.471SS*.  trans-60.3108.7151-69.7-73.9000104T112 A115 A119T112-F117 HydrophobicContact CG2-CE2 4.19Å; A115-F117 HydrophobicContact CB-CD2 3.68Å; A115-F117 HydrophobicContact CB-CE2 3.66Å; A115-F117 PolarHBondContact O-N 3.43Å; F117-A119 PolarHBondContact O-N 3.29Å
118I43.8Very low50.4Low139 Ų13987.2 Ų87.271%0.71346%0.457SS*.  trans-69.457.9176.2-53.1175.2000107.6P116 F120P116-I118 VanDerWaalsContact C-N 3.27Å; P116-I118 PolarHBondContact O-N 3.05Å; I118-F120 HydrophobicContact CG2-CD2 3.52Å; I118-F120 HydrophobicContact CG2-CE2 3.13Å; I118-F120 HydrophobicContact CG2-CZ 3.91Å; I118-F120 PolarHBondContact O-N 3.34Å
119A45Very low50.1Low34 Ų3491.7 Ų91.728%0.28147%0.474SS..  trans-95.774.4168.700000106.6F117 H121 I122F117-A119 PolarHBondContact O-N 3.29Å; A119-H121 PolarHBondContact O-N 2.95Å; A119-I122 HydrophobicContact CB-CD1 4.36Å; A119-I122 HydrophobicContact CB-CG1 4.44Å; A119-I122 PolarHBondContact O-N 3.42Å
120F45Very low50Low69 Ų6989.7 Ų89.730%0.30346%0.459SS..Hα-helixtrans-51.6-26.7169.9-70.6-74.8000111.9L59 I62 A63 I118 L127L59-F120 HydrophobicContact CD1-CB 4.09Å; L59-F120 HydrophobicContact CD1-CD1 3.26Å; L59-F120 HydrophobicContact CD1-CD2 4Å; L59-F120 HydrophobicContact CD1-CE1 3.5Å; L59-F120 VanDerWaalsContact CD1-CE1 3.5Å; L59-F120 HydrophobicContact CD1-CE2 4.19Å; L59-F120 HydrophobicContact CD1-CG 3.53Å; L59-F120 HydrophobicContact CD1-CZ 3.97Å; L59-F120 HydrophobicContact CG-CD1 4.41Å; L59-F120 HydrophobicContact CG-CE1 4.2Å; L59-F120 HydrophobicContact CG-CZ 4.43Å; I62-F120 HydrophobicContact CB-CE1 4.28Å; I62-F120 HydrophobicContact CG2-CD1 3.99Å; I62-F120 HydrophobicContact CG2-CE1 3.86Å; A63-F120 HydrophobicContact CB-CZ 4.32Å; I118-F120 HydrophobicContact CG2-CD2 3.52Å; I118-F120 HydrophobicContact CG2-CE2 3.13Å; I118-F120 HydrophobicContact CG2-CZ 3.91Å; I118-F120 PolarHBondContact O-N 3.34Å; F120-L127 HydrophobicContact CB-CD2 4.41Å; F120-L127 WeakPolarHBondContact O-CD2 3.43Å
121H42.8Very low50.1Low125 Ų12588 Ų8858%0.57945%0.449SS*.Hα-helixtrans-75.9-25.4-174.4-104.3-69.8000116.1A119 N128A119-H121 PolarHBondContact O-N 2.95Å; H121-N128 VanDerWaalsContact O-CG 3.3Å; H121-N128 PolarHBondContact O-ND2 2.98Å; H121-N128 PolarHBondContact O-OD1 2.94Å
122I49.3Very low50.4Low134 Ų13489.5 Ų89.569%0.68746%0.463SS*.Hα-helixtrans-104.8-37.7-164.7-59.9176000112A119A119-I122 HydrophobicContact CB-CD1 4.36Å; A119-I122 HydrophobicContact CB-CG1 4.44Å; A119-I122 PolarHBondContact O-N 3.42Å
123E50.7Low50.6Low100 Ų10087.4 Ų87.447%0.46745%0.45SS..Hα-helixtrans-90.3-23.8-167.6-68.5175.5-173.500114.6K66 M125K66-E123 IonicContact NZ-OE2 2.96Å; K66-E123 PolarHBondContact NZ-OE2 2.96Å; K66-E123 VanDerWaalsContact NZ-OE2 3.08Å; E123-M125 PolarHBondContact O-N 3.35Å
124N50.7Low50.6Low47 Ų4786.4 Ų86.425%0.25144%0.44SS..  trans-98.195.9-174.9-161.6-30.5000112I62 Q126 L127 N128I62-N124 WeakPolarHBondContact CD1-ND2 3.43Å; N124-Q126 PolarHBondContact O-N 3.49Å; N124-Q126 VanDerWaalsContact O-N 3.15Å; N124-Q126 WeakPolarHBondContact OD1-CA 3.04Å; N124-Q126 VanDerWaalsContact OD1-CB 3.28Å; N124-Q126 WeakPolarHBondContact OD1-CB 3.49Å; N124-Q126 PolarHBondContact OD1-N 3.14Å; N124-L127 HydrophobicContact CB-CB 3.9Å; N124-L127 PolarHBondContact O-N 3.22Å; N124-L127 VanDerWaalsContact O-N 3.07Å; N124-L127 PolarHBondContact OD1-N 2.72Å; N124-N128 PolarHBondContact O-N 3.18Å
125M62.3Low51.1Low168 Ų16885.5 Ų85.583%0.82845%0.447SS*.Hα-helixtrans-52.6-32.8173.4-79.9-125.6-100.100113E123 K129E123-M125 PolarHBondContact O-N 3.35Å; M125-K129 VanDerWaalsContact O-CB 3.24Å; M125-K129 WeakPolarHBondContact O-CB 3.47Å; M125-K129 PolarHBondContact O-N 3.32Å
126Q59Low51.2Low133 Ų13394 Ų9462%0.62148%0.476SS*.Hα-helixtrans-71.6-42.7178-58.8-173.1-23.100111.6N124 K129 M130N124-Q126 PolarHBondContact O-N 3.49Å; N124-Q126 VanDerWaalsContact O-N 3.15Å; N124-Q126 WeakPolarHBondContact OD1-CA 3.04Å; N124-Q126 VanDerWaalsContact OD1-CB 3.28Å; N124-Q126 WeakPolarHBondContact OD1-CB 3.49Å; N124-Q126 PolarHBondContact OD1-N 3.14Å; Q126-K129 PolarHBondContact O-N 2.92Å; Q126-M130 HydrophobicContact CB-CE 3.95Å; Q126-M130 WeakPolarHBondContact O-CB 3.21Å; Q126-M130 WeakPolarHBondContact O-CE 3.3Å; Q126-M130 WeakPolarHBondContact O-CG 3.46Å; Q126-M130 PolarHBondContact O-N 3.16Å
127L53.5Low51.2Low10 Ų1093.3 Ų93.35%0.05247%0.468CS..Hα-helixtrans-64.5-45.9176-173.268.8000110.5L55 F120 N124 K129 M130 I131L55-L127 HydrophobicContact CD2-CD1 3.93Å; F120-L127 HydrophobicContact CB-CD2 4.41Å; F120-L127 WeakPolarHBondContact O-CD2 3.43Å; N124-L127 HydrophobicContact CB-CB 3.9Å; N124-L127 PolarHBondContact O-N 3.22Å; N124-L127 VanDerWaalsContact O-N 3.07Å; N124-L127 PolarHBondContact OD1-N 2.72Å; L127-K129 PolarHBondContact O-N 3.43Å; L127-M130 CarbonylContact O-C 3.58Å; L127-M130 PolarHBondContact O-N 3Å; L127-M130 VanDerWaalsContact O-N 3.1Å; L127-I131 HydrophobicContact CD1-CD1 4.15Å; L127-I131 HydrophobicContact CD1-CG1 4.32Å; L127-I131 HydrophobicContact CD2-CD1 4.12Å; L127-I131 HydrophobicContact CG-CD1 3.7Å; L127-I131 HydrophobicContact CG-CG1 4.22Å; L127-I131 WeakPolarHBondContact O-CG1 3.45Å; L127-I131 PolarHBondContact O-N 3.29Å
128N56.6Low51Low50 Ų5093.3 Ų93.327%0.26748%0.48SS..Hα-helixtrans-60.3-46.2176.4-85.5-25.1000112H121 N124 M130 I131 S132H121-N128 VanDerWaalsContact O-CG 3.3Å; H121-N128 PolarHBondContact O-ND2 2.98Å; H121-N128 PolarHBondContact O-OD1 2.94Å; N124-N128 PolarHBondContact O-N 3.18Å; N128-M130 PolarHBondContact O-N 3.02Å; N128-I131 PolarHBondContact O-N 3.08Å; N128-S132 VanDerWaalsContact O-CB 3.31Å; N128-S132 WeakPolarHBondContact O-CB 3.3Å; N128-S132 PolarHBondContact O-N 3.17Å; N128-S132 PolarHBondContact O-OG 3.41Å
129K59.2Low50.6Low158 Ų15890.8 Ų90.869%0.68748%0.475SS*.Hα-helixtrans-60.2-36.4175-170.6174.2-178.31770111.9M125 Q126 L127 T133M125-K129 VanDerWaalsContact O-CB 3.24Å; M125-K129 WeakPolarHBondContact O-CB 3.47Å; M125-K129 PolarHBondContact O-N 3.32Å; Q126-K129 PolarHBondContact O-N 2.92Å; L127-K129 PolarHBondContact O-N 3.43Å; K129-T133 WeakPolarHBondContact O-CG2 3.47Å; K129-T133 PolarHBondContact O-N 3.32Å; K129-T133 PolarHBondContact O-OG1 3.01Å
130M56.9Low50.3Low52 Ų52101.1 Ų101.126%0.25651%0.506SS..Hα-helixtrans-76.8-34.2177.9-80.4-174.2-94.200114.1R51 L55 Q58 Q126 L127 N128 T133 F134R51-M130 PolarHBondContact NH2-O 3.23Å; L55-M130 HydrophobicContact CD2-CB 3.91Å; Q58-M130 PolarHBondContact NE2-SD 2.87Å; Q126-M130 HydrophobicContact CB-CE 3.95Å; Q126-M130 WeakPolarHBondContact O-CB 3.21Å; Q126-M130 WeakPolarHBondContact O-CE 3.3Å; Q126-M130 WeakPolarHBondContact O-CG 3.46Å; Q126-M130 PolarHBondContact O-N 3.16Å; L127-M130 CarbonylContact O-C 3.58Å; L127-M130 PolarHBondContact O-N 3Å; L127-M130 VanDerWaalsContact O-N 3.1Å; N128-M130 PolarHBondContact O-N 3.02Å; M130-T133 PolarHBondContact O-OG1 2.83Å; M130-F134 PolarHBondContact O-N 3.5Å
131I56.5Low49.9Very low64 Ų64101.1 Ų101.133%0.32851%0.505SS..Hα-helixtrans-70.9-46.3173.7-68.2172.2000109.7L127 N128 T133 F134L127-I131 HydrophobicContact CD1-CD1 4.15Å; L127-I131 HydrophobicContact CD1-CG1 4.32Å; L127-I131 HydrophobicContact CD2-CD1 4.12Å; L127-I131 HydrophobicContact CG-CD1 3.7Å; L127-I131 HydrophobicContact CG-CG1 4.22Å; L127-I131 WeakPolarHBondContact O-CG1 3.45Å; L127-I131 PolarHBondContact O-N 3.29Å; N128-I131 PolarHBondContact O-N 3.08Å; I131-T133 PolarHBondContact O-N 2.82Å; I131-T133 VanDerWaalsContact O-N 3.12Å; I131-F134 WeakPolarHBondContact O-CB 2.97Å; I131-F134 PolarHBondContact O-N 2.9Å
132S54.6Low49.7Very low90 Ų90101.1 Ų101.163%0.62952%0.516SS*.Hα-helixtrans-63.1-20.5177.9-61.90000113.4N128N128-S132 VanDerWaalsContact O-CB 3.31Å; N128-S132 WeakPolarHBondContact O-CB 3.3Å; N128-S132 PolarHBondContact O-N 3.17Å; N128-S132 PolarHBondContact O-OG 3.41Å
133T54.2Low48.9Very low47 Ų4795.9 Ų95.929%0.28850%0.495SS..THydrogen-bonded Turntrans-101.55.6173.253.90000113.3R51 K129 M130 I131 G135 R136R51-T133 PolarHBondContact NH1-O 3.01Å; R51-T133 PolarHBondContact NH2-O 2.9Å; R51-T133 PolarHBondContact NH2-OG1 2.92Å; K129-T133 WeakPolarHBondContact O-CG2 3.47Å; K129-T133 PolarHBondContact O-N 3.32Å; K129-T133 PolarHBondContact O-OG1 3.01Å; M130-T133 PolarHBondContact O-OG1 2.83Å; I131-T133 PolarHBondContact O-N 2.82Å; I131-T133 VanDerWaalsContact O-N 3.12Å; T133-G135 PolarHBondContact O-N 3.11Å; T133-R136 PolarHBondContact O-N 3.29Å; T133-R136 VanDerWaalsContact O-N 3.15Å
134F47.1Very low48.2Very low104 Ų10499.1 Ų99.146%0.45651%0.51SS..THydrogen-bonded Turntrans-63.6128.6172.7-169.7-99.2000109.6L55 M130 I131 R136L55-F134 HydrophobicContact CD1-CD2 3.75Å; L55-F134 HydrophobicContact CD1-CE2 4.08Å; M130-F134 PolarHBondContact O-N 3.5Å; I131-F134 WeakPolarHBondContact O-CB 2.97Å; I131-F134 PolarHBondContact O-N 2.9Å; F134-R136 VanDerWaalsContact C-N 3.34Å; F134-R136 PolarHBondContact O-N 2.86Å
135G53.5Low47.6Very low52 Ų52101.5 Ų101.554%0.53652%0.518SS..THydrogen-bonded Turntrans88.4-17.6-173.400000115.4T133 L137T133-G135 PolarHBondContact O-N 3.11Å; G135-L137 PolarHBondContact O-N 3.29Å
136R46.7Very low46.5Very low196 Ų19695.6 Ų95.674%0.7450%0.496SS*.  trans-81.982.9171.2-63.8-172.1-177.4-169.6-0.2109.7T133 F134T133-R136 PolarHBondContact O-N 3.29Å; T133-R136 VanDerWaalsContact O-N 3.15Å; F134-R136 VanDerWaalsContact C-N 3.34Å; F134-R136 PolarHBondContact O-N 2.86Å
137L42.3Very low45.5Very low50 Ų5092.6 Ų92.626%0.26248%0.484SS..  trans-87.1113.3165.3-71.8167.9000106.9L44 L47 L48 G135 S139L44-L137 HydrophobicContact CB-CD1 4.46Å; L44-L137 HydrophobicContact CD1-CB 3.81Å; L44-L137 HydrophobicContact CD1-CD1 3.2Å; L44-L137 HydrophobicContact CD1-CG 4.09Å; L44-L137 HydrophobicContact CG-CD1 3.55Å; L47-L137 HydrophobicContact CB-CD1 4.01Å; L47-L137 HydrophobicContact CB-CD2 3.9Å; L47-L137 HydrophobicContact CD1-CD2 4.18Å; L48-L137 HydrophobicContact CD2-CD1 3.99Å; L48-L137 HydrophobicContact CG-CD1 3.84Å; G135-L137 PolarHBondContact O-N 3.29Å; L137-S139 PolarHBondContact O-N 3.46Å
138T42.4Very low45.1Very low138 Ų13897.7 Ų97.785%0.84752%0.518SS*.  trans-58.8107.8165.137.70000106.3R140T138-R140 PolarHBondContact O-N 2.94Å
139S35.4Very low44.6Very low86 Ų86102.1 Ų102.160%0.60154%0.542SS*.  trans-59.8119.1175.266.30000106.7L137 Y141L137-S139 PolarHBondContact O-N 3.46Å; S139-Y141 PolarHBondContact O-N 3.25Å; S139-Y141 WeakPolarHBondContact OG-CB 3.14Å
140R36.7Very low43.8Very low250 Ų250101.6 Ų101.694%0.94354%0.539SS*.  trans-7246.4161.5-69.3-170.1178.7-169.9-0.2109.5T138 P142T138-R140 PolarHBondContact O-N 2.94Å; R140-P142 VanDerWaalsContact O-CD 3.27Å; R140-P142 WeakPolarHBondContact O-CD 3.31Å
141Y36.9Very low42.7Very low70 Ų70104.4 Ų104.428%0.27556%0.561SS.*  trans-90117.9178-168.9-95.9000106.2S139 G143 F145 A146S139-Y141 PolarHBondContact O-N 3.25Å; S139-Y141 WeakPolarHBondContact OG-CB 3.14Å; Y141-G143 WeakPolarHBondContact CD1-O 3.43Å; Y141-G143 VanDerWaalsContact CE1-N 3.27Å; Y141-G143 WeakPolarHBondContact CE1-O 3.27Å; Y141-F145 HydrophobicContact CD1-CB 3.68Å; Y141-F145 HydrophobicContact CD1-CD2 4.03Å; Y141-F145 HydrophobicContact CD1-CG 4.34Å; Y141-F145 HydrophobicContact CE1-CB 3.78Å; Y141-F145 AromaticContact CE1-CD2 3.31Å; Y141-F145 HydrophobicContact CE1-CD2 3.31Å; Y141-F145 HydrophobicContact CE1-CE2 4.32Å; Y141-F145 AromaticContact CE1-CG 3.99Å; Y141-F145 HydrophobicContact CE1-CG 3.99Å; Y141-F145 HydrophobicContact CE2-CD2 4.5Å; Y141-F145 AromaticContact CZ-CD2 3.6Å; Y141-A146 WeakPolarHBondContact O-CB 3.38Å
142P39.8Very low41.6Very low124 Ų124102.5 Ų102.581%0.80555%0.554SS**  trans-97.412169.236.6-33.4000112.4R140R140-P142 VanDerWaalsContact O-CD 3.27Å; R140-P142 WeakPolarHBondContact O-CD 3.31Å
143G31.3Very low40.7Very low25 Ų25106.4 Ų106.426%0.25857%0.566SS.*SBendtrans-83.4-174.1173.500000112Y141 F145 A146Y141-G143 WeakPolarHBondContact CD1-O 3.43Å; Y141-G143 VanDerWaalsContact CE1-N 3.27Å; Y141-G143 WeakPolarHBondContact CE1-O 3.27Å; G143-F145 PolarHBondContact O-N 2.82Å; G143-A146 WeakPolarHBondContact O-CB 3.38Å; G143-A146 PolarHBondContact O-N 3.38Å
144H35.7Very low39.5Very low168 Ų168109.1 Ų109.178%0.77859%0.586SS**THydrogen-bonded Turntrans-51.9-1.7-176.4-69.6-12.1000118.4
145F39.1Very low38.8Very low97 Ų97109.3 Ų109.343%0.42559%0.591SS.*THydrogen-bonded Turntrans-95.6-1.7170.8-60.7-80.7000113.1Y141 G143 S152 C154 L155Y141-F145 HydrophobicContact CD1-CB 3.68Å; Y141-F145 HydrophobicContact CD1-CD2 4.03Å; Y141-F145 HydrophobicContact CD1-CG 4.34Å; Y141-F145 HydrophobicContact CE1-CB 3.78Å; Y141-F145 AromaticContact CE1-CD2 3.31Å; Y141-F145 HydrophobicContact CE1-CD2 3.31Å; Y141-F145 HydrophobicContact CE1-CE2 4.32Å; Y141-F145 AromaticContact CE1-CG 3.99Å; Y141-F145 HydrophobicContact CE1-CG 3.99Å; Y141-F145 HydrophobicContact CE2-CD2 4.5Å; Y141-F145 AromaticContact CZ-CD2 3.6Å; G143-F145 PolarHBondContact O-N 2.82Å; F145-S152 WeakPolarHBondContact CD1-OG 3.45Å; F145-S152 WeakPolarHBondContact CE1-OG 3.28Å; F145-C154 HydrophobicContact CE1-CB 4.38Å; F145-C154 HydrophobicContact CZ-CB 4.4Å; F145-L155 HydrophobicContact CD1-CD1 4.21Å; F145-L155 HydrophobicContact CD1-CG 4.38Å; F145-L155 HydrophobicContact CE1-CG 4.27Å
146A38.2Very low37.6Very low44 Ų44111.9 Ų111.936%0.36460%0.598SS.*  trans-94.3-20.2-169.300000114.7Y141 G143 P148Y141-A146 WeakPolarHBondContact O-CB 3.38Å; G143-A146 WeakPolarHBondContact O-CB 3.38Å; G143-A146 PolarHBondContact O-N 3.38Å; A146-P148 VanDerWaalsContact O-CD 3.22Å; A146-P148 WeakPolarHBondContact O-CD 3.27Å
147D39.3Very low36.7Very low69 Ų69111.2 Ų111.237%0.36960%0.603SS.*  trans-85.7108.9-179.3-167.1-6.1000108.4N149 K150D147-N149 PolarHBondContact O-N 2.93Å; D147-N149 VanDerWaalsContact O-N 3.08Å; D147-N149 WeakPolarHBondContact OD1-CB 3.34Å; D147-N149 PolarHBondContact OD1-N 3.02Å; D147-K150 HydrophobicContact CB-CB 4.24Å; D147-K150 CarbonylContact O-C 3.59Å; D147-K150 PolarHBondContact O-N 3.27Å
148P45.8Very low36.4Very low118 Ų118117.1 Ų117.177%0.76663%0.627SS**THydrogen-bonded Turntrans-59.3-23.5179.1-17.231.1000111.9A146 K150A146-P148 VanDerWaalsContact O-CD 3.22Å; A146-P148 WeakPolarHBondContact O-CD 3.27Å; P148-K150 VanDerWaalsContact C-N 3.34Å
149N45.2Very low35.8Very low142 Ų142118.9 Ų118.976%0.75962%0.623SS**THydrogen-bonded Turntrans-85-7.3-179.7-59.1-35.7000113.2D147D147-N149 PolarHBondContact O-N 2.93Å; D147-N149 VanDerWaalsContact O-N 3.08Å; D147-N149 WeakPolarHBondContact OD1-CB 3.34Å; D147-N149 PolarHBondContact OD1-N 3.02Å
150K41.6Very low35.7Very low148 Ų148122.2 Ų122.264%0.64363%0.63SS**SBendtrans-136.475.8178-66.5179.6-177.2171.40109.3D147 P148 S152D147-K150 HydrophobicContact CB-CB 4.24Å; D147-K150 CarbonylContact O-C 3.59Å; D147-K150 PolarHBondContact O-N 3.27Å; P148-K150 VanDerWaalsContact C-N 3.34Å; K150-S152 PolarHBondContact O-N 2.87Å
151P34.8Very low35.2Very low110 Ų110118.6 Ų118.671%0.71462%0.623SS**  trans-58.4114.5169.725.3-32000107.7I153P151-I153 PolarHBondContact O-N 2.94Å
152S32.8Very low34.9Very low25 Ų25124.7 Ų124.718%0.17565%0.654CS.*  trans-54.7129.1174.157.40000109.1F145 K150 C154 L155F145-S152 WeakPolarHBondContact CD1-OG 3.45Å; F145-S152 WeakPolarHBondContact CE1-OG 3.28Å; K150-S152 PolarHBondContact O-N 2.87Å; S152-C154 PolarHBondContact O-N 3.31Å; S152-L155 PolarHBondContact O-N 3.35Å
153I36Very low34.7Very low172 Ų172126.1 Ų126.188%0.88265%0.65SS**THydrogen-bonded Turntrans-51-10173.4-76.5161.4000113.6P151P151-I153 PolarHBondContact O-N 2.94Å
154C28.5Very low34.7Very low104 Ų104133.2 Ų133.270%0.70367%0.674SS**THydrogen-bonded Turntrans-89.3-4.6-178.1-62.10000115.6F145 S152F145-C154 HydrophobicContact CE1-CB 4.38Å; F145-C154 HydrophobicContact CZ-CB 4.4Å; S152-C154 PolarHBondContact O-N 3.31Å
155L32.6Very low34.4Very low108 Ų108134.2 Ų134.257%0.56568%0.679SS**SBendtrans-86135.1163.1-79.6164.3000108F145 S152 Q157F145-L155 HydrophobicContact CD1-CD1 4.21Å; F145-L155 HydrophobicContact CD1-CG 4.38Å; F145-L155 HydrophobicContact CE1-CG 4.27Å; S152-L155 PolarHBondContact O-N 3.35Å; L155-Q157 PolarHBondContact O-N 3.47Å
156P29Very low33.9Very low105 Ų105136.7 Ų136.768%0.68269%0.692SS**  trans-49.1119.5162.2-18.629.7000106.3F158P156-F158 PolarHBondContact O-N 3.07Å
157Q28.1Very low33.5Very low182 Ų182141.3 Ų141.385%0.8571%0.709SS**  trans-42.3130.7172.6-164.5168.7-0.100106.9L155 F159L155-Q157 PolarHBondContact O-N 3.47Å; Q157-F159 PolarHBondContact O-N 3.15Å
158F34.6Very low33.1Very low174 Ų174148.8 Ų148.876%0.76373%0.732SS**  trans-38.4131.1-177.5-88.3-102.5000108.7P156 E160P156-F158 PolarHBondContact O-N 3.07Å; F158-E160 HydrophobicContact CB-CG 4.13Å; F158-E160 PolarHBondContact O-N 2.94Å
159F30.6Very low32.3Very low175 Ų175150.3 Ų150.377%0.76873%0.732SS**  trans-62.862.5154-75.7-98.5000107.1Q157 E161Q157-F159 PolarHBondContact O-N 3.15Å; F159-E161 PolarHBondContact O-N 2.72Å
160E32.6Very low31.5Very low157 Ų157146.4 Ų146.473%0.73473%0.726SS**  trans-59.2119.2143.7-76.4179.6172.700102.8F158 E162F158-E160 HydrophobicContact CB-CG 4.13Å; F158-E160 PolarHBondContact O-N 2.94Å; E160-E162 PolarHBondContact O-N 2.89Å
161E27.8Very low30.8Very low174 Ų174147.5 Ų147.581%0.81374%0.738SS**  trans-45.996.6165-68.8162.6146.200106.1F159 E163F159-E161 PolarHBondContact O-N 2.72Å; E161-E163 PolarHBondContact O-N 3.18Å
162E29.6Very low30.7Very low197 Ų197146.4 Ų146.492%0.92173%0.734SS**  trans-60.186.3157.2-83.1-179.3166.600103.6E160 K164E160-E162 PolarHBondContact O-N 2.89Å; E162-K164 PolarHBondContact O-N 3.12Å
163E35.8Very low30.5Very low154 Ų154152.1 Ų152.172%0.7277%0.767SS**  trans-53.195.4163.8-80.7-169.9140.300105.7E161 E165E161-E163 PolarHBondContact O-N 3.18Å; E163-E165 PolarHBondContact O-N 2.85Å; E163-E165 VanDerWaalsContact O-N 3.14Å
164K30.6Very low30.1Very low175 Ų175150.5 Ų150.576%0.76176%0.76SS**  trans41.572.9135.9-62.5174.1178.7174.40112.3E162 E166E162-K164 PolarHBondContact O-N 3.12Å; K164-E166 HydrophobicContact CB-CG 4.36Å; K164-E166 PolarHBondContact O-N 3.36Å
165E30.7Very low30.1Very low188 Ų188150.4 Ų150.488%0.87976%0.76SS**  trans-62.788.5138-86.9-172.5156.800106.2E163 I167E163-E165 PolarHBondContact O-N 2.85Å; E163-E165 VanDerWaalsContact O-N 3.14Å; E165-I167 PolarHBondContact O-N 2.76Å
166E28.1Very low29.9Very low149 Ų149150.3 Ų150.370%0.69677%0.769SS**  trans-56.383.2165.2-77-176.2156.300108.1K164 R168K164-E166 HydrophobicContact CB-CG 4.36Å; K164-E166 PolarHBondContact O-N 3.36Å; E166-R168 PolarHBondContact O-N 3.31Å
167I30.2Very low30Very low141 Ų141149 Ų14972%0.72376%0.759SS**  trans-66.490.5153.5-58.9175.4000104.6E165 I169E165-I167 PolarHBondContact O-N 2.76Å; I167-I169 VanDerWaalsContact C-N 3.34Å; I167-I169 HydrophobicContact CG2-CG1 4.39Å; I167-I169 PolarHBondContact O-N 3.3Å
168R29.7Very low30.3Very low226 Ų226145.2 Ų145.285%0.85375%0.748SS**  trans-47.694.7172.4-69.9178.3-177.5168.72.1109.8E166E166-R168 PolarHBondContact O-N 3.31Å
169I30.2Very low30.1Very low151 Ų151145.9 Ų145.977%0.77475%0.751SS**  trans-124.8109.1154.8-54.1178.2000104.6I167I167-I169 VanDerWaalsContact C-N 3.34Å; I167-I169 HydrophobicContact CG2-CG1 4.39Å; I167-I169 PolarHBondContact O-N 3.3Å
170G27Very low29.8Very low60 Ų60144.1 Ų144.162%0.61975%0.749SS**  trans-55.7149.7-158.900000116.1
171N27.6Very low29.7Very low170 Ų170145.6 Ų145.691%0.90975%0.748SS**SBendtrans55.963.1145.6-53.93.5000116.1
172S32.2Very low29.8Very low88 Ų88143.1 Ų143.162%0.61575%0.745SS**  trans-151123143.157.50000109.5L174S172-L174 PolarHBondContact O-N 3.1Å
173T28.3Very low29.6Very low144 Ų144141.8 Ų141.888%0.88374%0.738SS**  trans-64.378.3168.540.90000109S175T173-S175 PolarHBondContact O-N 2.71Å; T173-S175 VanDerWaalsContact O-N 3.08Å
174L28.5Very low29.5Very low138 Ų138138.4 Ų138.472%0.72373%0.73SS**  trans-75.196168.5-83.9157.5000107.5S172 S176S172-L174 PolarHBondContact O-N 3.1Å; L174-S176 PolarHBondContact O-N 3.03Å
175S28.7Very low29.6Very low102 Ų102138.2 Ų138.271%0.71374%0.736SS**  trans-44.9110.7163.8-52.50000109.5T173 T177T173-S175 PolarHBondContact O-N 2.71Å; T173-S175 VanDerWaalsContact O-N 3.08Å; S175-T177 PolarHBondContact O-N 3.29Å
176S28.5Very low29.7Very low106 Ų106131.4 Ų131.474%0.74171%0.709SS**  trans12.772.8152.9-172.40000114.8L174 V178L174-S176 PolarHBondContact O-N 3.03Å; S176-V178 PolarHBondContact O-N 3.47Å; S176-V178 WeakPolarHBondContact OG-CG2 3.07Å
177T29.7Very low30.2Very low77 Ų77132.6 Ų132.647%0.47272%0.718SS.*  trans-8175.6170.648.10000108.2S175 F179 N180S175-T177 PolarHBondContact O-N 3.29Å; T177-F179 PolarHBondContact O-N 3.17Å; T177-N180 PolarHBondContact O-N 2.58Å; T177-N180 VanDerWaalsContact O-N 3.12Å; T177-N180 PolarHBondContact OG1-ND2 2.95Å
178V36.2Very low30.7Very low104 Ų104129.3 Ų129.363%0.6371%0.707SS**THydrogen-bonded Turntrans-55.7-9.7168.1177.30000111.7S176S176-V178 PolarHBondContact O-N 3.47Å; S176-V178 WeakPolarHBondContact OG-CG2 3.07Å
179F29.1Very low31.1Very low187 Ų187125.6 Ų125.682%0.8270%0.704SS**THydrogen-bonded Turntrans-104.810.7178.3-68.9-73.2000116.5T177 R181T177-F179 PolarHBondContact O-N 3.17Å; F179-R181 PolarHBondContact O-N 2.87Å; F179-R181 VanDerWaalsContact O-N 3.12Å
180N25.2Very low31.6Very low138 Ų138125.7 Ų125.774%0.73871%0.706SS**  trans-8864164.8-77.4-17.6000110.4T177T177-N180 PolarHBondContact O-N 2.58Å; T177-N180 VanDerWaalsContact O-N 3.12Å; T177-N180 PolarHBondContact OG1-ND2 2.95Å
181R29.7Very low32.3Very low188 Ų188125 Ų12571%0.70969%0.691SS**  trans-101.1127.6167.9-86-174.3172.4176.5-4109.7F179F179-R181 PolarHBondContact O-N 2.87Å; F179-R181 VanDerWaalsContact O-N 3.12Å
182V30.7Very low33.1Very low122 Ų122122 Ų12274%0.73968%0.679SS**  trans68.799.9177.2-164.50000111.3P184V182-P184 WeakPolarHBondContact O-CD 3.47Å
183Q25.7Very low33.4Very low169 Ų169123.9 Ų123.979%0.7968%0.681SS**  trans-48.7106.1153.7-81.5178.8-10.700106.3L185Q183-L185 PolarHBondContact O-N 3.07Å
184P32.4Very low34Very low84 Ų84123 Ų12355%0.54567%0.671SS.*  trans-70.8111.9171.20.917.9000102.6V182 C186V182-P184 WeakPolarHBondContact O-CD 3.47Å; P184-C186 PolarHBondContact O-N 3.12Å
185L33Very low34.7Very low170 Ų170122.8 Ų122.889%0.8966%0.664SS**SBendtrans-67.331.2169-125.184.8000111.3Q183Q183-L185 PolarHBondContact O-N 3.07Å
186C32.2Very low35.2Very low45 Ų45125.2 Ų125.230%0.30466%0.658SS.*SBendtrans-112.2123.3166.9106.60000106.9P184 C188P184-C186 PolarHBondContact O-N 3.12Å; C186-C188 HydrophobicContact CB-CB 4.5Å; C186-C188 WeakPolarHBondContact CB-SG 3.42Å; C186-C188 PolarHBondContact O-N 3.4Å; C186-C188 WeakPolarHBondContact SG-CB 3.5Å; C186-C188 CovalentContact SG-SG 2.05Å; C186-C188 PolarHBondContact SG-SG 3.48Å
187I39.7Very low35.8Very low174 Ų174126.1 Ų126.189%0.89265%0.654SS**  trans-72.731.5176.6-56.5160.6000110N189I187-N189 PolarHBondContact O-N 2.94Å
188C40.6Very low36.5Very low72 Ų72127 Ų12749%0.48666%0.664SS.*  trans-82.198.1174.3-29.30000105.5C186 D190C186-C188 HydrophobicContact CB-CB 4.5Å; C186-C188 WeakPolarHBondContact CB-SG 3.42Å; C186-C188 PolarHBondContact O-N 3.4Å; C186-C188 WeakPolarHBondContact SG-CB 3.5Å; C186-C188 CovalentContact SG-SG 2.05Å; C186-C188 PolarHBondContact SG-SG 3.48Å; C188-D190 PolarHBondContact O-N 3.32Å
189N38Very low36.6Very low149 Ų149126 Ų12680%0.79765%0.654SS**  trans-32.2125.8179.3-72.9-15.9000112.4I187 P191I187-N189 PolarHBondContact O-N 2.94Å; N189-P191 VanDerWaalsContact O-CD 3.3Å; N189-P191 WeakPolarHBondContact O-CD 3.29Å
190D41Very low37.5Very low153 Ų153127.2 Ų127.282%0.81866%0.659SS**  trans-38109.3175.2-90-40.6000111C188 T192C188-D190 PolarHBondContact O-N 3.32Å; D190-T192 PolarHBondContact O-N 3.34Å
191P40.3Very low38.3Very low46 Ų46127.3 Ų127.330%0.29966%0.655SS.*  trans-69.8124.6170.327.4-29.3000107.3N189 K195N189-P191 VanDerWaalsContact O-CD 3.3Å; N189-P191 WeakPolarHBondContact O-CD 3.29Å; P191-K195 HydrophobicContact CB-CB 3.87Å
192T44.3Very low38.6Very low105 Ų105123.3 Ų123.364%0.64464%0.644SS**  trans-46.8144.4168.29.20000110.3D190 N194 K195 W196D190-T192 PolarHBondContact O-N 3.34Å; T192-N194 PolarHBondContact O-N 3.06Å; T192-K195 WeakPolarHBondContact O-CA 3.33Å; T192-K195 WeakPolarHBondContact O-CB 3.3Å; T192-K195 PolarHBondContact O-N 3.18Å; T192-W196 PolarHBondContact O-N 3.12Å; T192-W196 VanDerWaalsContact O-N 3.16Å
193L40.2Very low38.7Very low128 Ų128126.1 Ų126.167%0.6765%0.647SS**Hα-helixtrans-44-39.5-174.5-171.672.2000113.7W196 L197L193-W196 PolarHBondContact O-N 3.4Å; L193-L197 HydrophobicContact CG-CD1 4.41Å; L193-L197 PolarHBondContact O-N 2.89Å
194N40.2Very low39.2Very low126 Ų126121.6 Ų121.667%0.67463%0.632SS**Hα-helixtrans-65.3-36.6177-75.8-18.3000113.8T192 S198T192-N194 PolarHBondContact O-N 3.06Å; N194-S198 VanDerWaalsContact O-CB 3.3Å; N194-S198 WeakPolarHBondContact O-CB 3.3Å; N194-S198 PolarHBondContact O-N 3.12Å; N194-S198 PolarHBondContact O-OG 3.43Å
195K42.1Very low39.1Very low133 Ų133127.1 Ų127.158%0.57865%0.648SS**Hα-helixtrans-70.2-36.4171.6-91-178.3175.9177.40111.5P191 T192 S198 L199P191-K195 HydrophobicContact CB-CB 3.87Å; T192-K195 WeakPolarHBondContact O-CA 3.33Å; T192-K195 WeakPolarHBondContact O-CB 3.3Å; T192-K195 PolarHBondContact O-N 3.18Å; K195-S198 PolarHBondContact O-N 3.35Å; K195-L199 HydrophobicContact CB-CD1 4.46Å; K195-L199 VanDerWaalsContact O-CD1 3.23Å; K195-L199 WeakPolarHBondContact O-CD1 3.43Å; K195-L199 PolarHBondContact O-N 3.38Å
196W41.2Very low38.9Very low153 Ų153129.4 Ų129.458%0.5865%0.645SS**Hα-helixtrans-65.6-44.1178.7-162.991.1000112.1T192 L193 S198 L199 H202T192-W196 PolarHBondContact O-N 3.12Å; T192-W196 VanDerWaalsContact O-N 3.16Å; L193-W196 PolarHBondContact O-N 3.4Å; W196-S198 PolarHBondContact O-N 3.17Å; W196-L199 PolarHBondContact O-N 2.98Å; W196-H202 AromaticContact CD1-NE2 3.28Å; W196-H202 VanDerWaalsContact CD1-NE2 3.28Å; W196-H202 AromaticContact NE1-NE2 3.48Å; W196-H202 PolarHBondContact NE1-NE2 3.5Å
197L39.8Very low38.8Very low126 Ų126138.7 Ų138.766%0.6667%0.673SS**Hα-helixtrans-66.3-25174-69.8169.9000113.1L193L193-L197 HydrophobicContact CG-CD1 4.41Å; L193-L197 PolarHBondContact O-N 2.89Å
198S45Very low38.2Very low96 Ų96136.9 Ų136.967%0.67167%0.665SS**Hα-helixtrans-91.7-19.7-178.5-57.80000114.1N194 K195 W196 K200N194-S198 VanDerWaalsContact O-CB 3.3Å; N194-S198 WeakPolarHBondContact O-CB 3.3Å; N194-S198 PolarHBondContact O-N 3.12Å; N194-S198 PolarHBondContact O-OG 3.43Å; K195-S198 PolarHBondContact O-N 3.35Å; W196-S198 PolarHBondContact O-N 3.17Å; S198-K200 PolarHBondContact O-N 2.8Å
199L37.5Very low37.6Very low82 Ų82138.9 Ų138.943%0.42968%0.681SS.*  trans-83.6111.7177.8-10284.5000110.1K195 W196 E201K195-L199 HydrophobicContact CB-CD1 4.46Å; K195-L199 VanDerWaalsContact O-CD1 3.23Å; K195-L199 WeakPolarHBondContact O-CD1 3.43Å; K195-L199 PolarHBondContact O-N 3.38Å; W196-L199 PolarHBondContact O-N 2.98Å; L199-E201 VanDerWaalsContact C-N 3.25Å; L199-E201 PolarHBondContact O-N 2.89Å
200K49.6Very low37Very low212 Ų212136.1 Ų136.192%0.92267%0.673SS**SBendtrans-65.4-25.3174.9-79.6-175.3175.7-179.40113.4S198S198-K200 PolarHBondContact O-N 2.8Å
201E40.7Very low36.3Very low141 Ų141135.8 Ų135.866%0.65967%0.671SS**  trans-154.4130177.9-64.3-176.416500111.9L199 K203L199-E201 VanDerWaalsContact C-N 3.25Å; L199-E201 PolarHBondContact O-N 2.89Å; E201-K203 PolarHBondContact O-N 3.27Å
202H35.7Very low35.5Very low104 Ų104138.2 Ų138.248%0.48169%0.689SS.*  trans-84.498.6167.6-76.6-68.6000110W196 C204W196-H202 AromaticContact CD1-NE2 3.28Å; W196-H202 VanDerWaalsContact CD1-NE2 3.28Å; W196-H202 AromaticContact NE1-NE2 3.48Å; W196-H202 PolarHBondContact NE1-NE2 3.5Å; H202-C204 PolarHBondContact O-N 3.36Å
203K33.3Very low34.6Very low181 Ų181141.2 Ų141.279%0.78770%0.7SS**  trans-86.786.6168.3-72.1-173.6-179.8177.90110.1E201 K205E201-K203 PolarHBondContact O-N 3.27Å; K203-K205 PolarHBondContact O-N 3.49Å
204C36Very low33.9Very low73 Ų73141 Ų14149%0.49371%0.71SS.*  trans-77.795.3170-1770000109.9H202 R206H202-C204 PolarHBondContact O-N 3.36Å; C204-R206 PolarHBondContact O-N 3.38Å
205K31.5Very low33.1Very low201 Ų201142.5 Ų142.587%0.87472%0.718SS**  trans-69110.5168.2-91.2-176.5176.1178.50108.7K203 R207K203-K205 PolarHBondContact O-N 3.49Å; K205-R207 PolarHBondContact O-N 3.15Å
206R28.9Very low32.2Very low218 Ų218145 Ų14582%0.82373%0.733SS**  trans-57.2119.4172.3-69.2-169.9-174.1-175.92.4109.3C204 N208C204-R206 PolarHBondContact O-N 3.38Å; R206-N208 PolarHBondContact O-N 2.92Å
207R28.5Very low31.3Very low240 Ų240140.7 Ų140.791%0.90674%0.737SS**  trans-7697.3157.1-96.7-177.7175.7159.5-1.2106.5K205 S209K205-R207 PolarHBondContact O-N 3.15Å; R207-S209 PolarHBondContact O-N 3.38Å; R207-S209 VanDerWaalsContact O-N 3.16Å
208N28.3Very low30.5Very low135 Ų135141 Ų14172%0.72274%0.744SS**  trans-64.4111.5163.5-70.4-8000107R206 S210R206-N208 PolarHBondContact O-N 2.92Å; N208-S210 PolarHBondContact O-N 2.9Å
209S27Very low29.6Very low115 Ų115144.8 Ų144.880%0.80475%0.753SS**  trans-92.178.3176.156.50000109.8R207R207-S209 PolarHBondContact O-N 3.38Å; R207-S209 VanDerWaalsContact O-N 3.16Å
210S27Very low29Very low90 Ų90150.2 Ų150.263%0.62977%0.773SS**  trans173.5128.2151.746.90000105.4N208N208-S210 PolarHBondContact O-N 2.9Å
211D24.6Very low27.6Very low146 Ų146148.9 Ų148.978%0.78177%0.77SS**  cis-163.2148.60-101.1-41.7000105.6
212S23.9Very low26.9Very low98 Ų98151.4 Ų151.469%0.68578%0.782SS**  trans61.3117.4142.2-50.50000121.4
213L25.6Very low26.3Very low168 Ų168153 Ų15388%0.8879%0.79SS**  trans62.690.6141.9-69.3153000118.2
214S26.6Very low26.1Very low124 Ų124152.3 Ų152.387%0.86780%0.795SS**  17174.7124.743.50000109.6
215N22.7Very low25.4Very low157 Ų157156.7 Ų156.784%0.8481%0.805SS**  trans-82119.2156.7-16720.2000106.4
216M22.9Very low25.2Very low184 Ų184150.6 Ų150.691%0.90679%0.792SS**  trans170108.4142.6-93.3-62.1-125.600108.6
217G22.6Very low25Very low63 Ų63145.9 Ų145.965%0.64979%0.793SS**  trans161.568.1171.600000115.3
218T22.8Very low25Very low132 Ų132144 Ų14481%0.8179%0.792SS**  trans34.8123.6136.339.30000119.9
219M26.8Very low24.8Very low177 Ų177141.5 Ų141.587%0.87279%0.79SS**  -171.9131.2105.6-92.1-65.2-123.600111.5
220K23.2Very low24.8Very low196 Ų196143.9 Ų143.985%0.85279%0.793SS**  trans-24.5137.8179.7-71.6172.3170.5-177.80120.2
221E22.1Very low24.7Very low184 Ų184149 Ų14986%0.8680%0.803SS**  trans-54.9131147.1-65.6167.414600111.1
222E24.3Very low24.8Very low194 Ų194148.7 Ų148.791%0.90780%0.802SS**  trans-114.2112.5147.8-94-177.9163.200107.6
223E23.4Very low25.1Very low138 Ų138149.2 Ų149.265%0.64580%0.797SS**  trans-70.7117.9166-69.4-174.8136.300109K225E223-K225 IonicContact OE1-NZ 3.88Å; E223-K225 PolarHBondContact OE1-NZ 2.74Å; E223-K225 IonicContact OE2-NZ 3.27Å; E223-K225 PolarHBondContact OE2-NZ 2.73Å
224D28.5Very low25.4Very low166 Ų166148.4 Ų148.489%0.88878%0.783SS**  trans-104.392.6153.5-92.2-27.9000109.3A226D224-A226 PolarHBondContact O-N 3.46Å
225K22.3Very low25.7Very low164 Ų164149.8 Ų149.871%0.71377%0.774SS**  trans-69.7104.3159.8-73.3178.6176.3105.30108.1E223E223-K225 IonicContact OE1-NZ 3.88Å; E223-K225 PolarHBondContact OE1-NZ 2.74Å; E223-K225 IonicContact OE2-NZ 3.27Å; E223-K225 PolarHBondContact OE2-NZ 2.73Å
226A27.8Very low26.2Very low73 Ų73150.8 Ų150.860%0.60377%0.766SS**  trans-130.9100.9158.900000109.8D224 F228D224-A226 PolarHBondContact O-N 3.46Å; A226-F228 PolarHBondContact O-N 2.85Å
227S23.8Very low26.6Very low120 Ų120147.6 Ų147.684%0.83975%0.752SS**  trans-52.297.1167.941.70000112A229S227-A229 PolarHBondContact O-N 2.96Å
228F28.8Very low26.9Very low201 Ų201148.6 Ų148.688%0.88275%0.749SS**  trans-90.779.7161.2-90-88.3000109.3A226A226-F228 PolarHBondContact O-N 2.85Å
229A25Very low27.4Very low81 Ų81149.7 Ų149.767%0.66974%0.743SS**  trans-71.4126.9159.500000108.8S227S227-A229 PolarHBondContact O-N 2.96Å
230L25.8Very low27.6Very low166 Ų166148.6 Ų148.687%0.86974%0.739SS**  trans42.887150.2-73.5146.9000116.9
231K26Very low28Very low197 Ų197144 Ų14486%0.85773%0.732SS**  trans-140.575.6146.7-139.1165.8-173.8176.40109.7D233K231-D233 PolarHBondContact O-N 3.49Å
232N26.7Very low28.3Very low140 Ų140143.4 Ų143.475%0.74973%0.729SS**  trans-58.9122146.1-98.6-9.3000105.8
233D29Very low28.5Very low109 Ų109143.5 Ų143.558%0.58373%0.726SS**  trans-174.6106.4145.9-86.8-20000109.2K231 F235K231-D233 PolarHBondContact O-N 3.49Å; D233-F235 PolarHBondContact O-N 3.42Å
234Y32.2Very low28.5Very low150 Ų150145.6 Ų145.659%0.58874%0.736SS**  trans53.819139.4-52.8-72.4000122.3W236 L237 S238Y234-W236 PolarHBondContact O-N 3.15Å; Y234-L237 HydrophobicContact CD1-CD1 3.72Å; Y234-L237 HydrophobicContact CE1-CD1 4.34Å; Y234-L237 PolarHBondContact O-N 3.05Å; Y234-L237 VanDerWaalsContact O-N 3.09Å; Y234-S238 PolarHBondContact O-N 2.92Å; Y234-S238 PolarHBondContact O-OG 3.2Å
235F32.8Very low28.3Very low153 Ų153142.7 Ų142.767%0.67173%0.729SS**Hα-helixtrans-52.2-19.7175.1-175.7-84000115.6D233D233-F235 PolarHBondContact O-N 3.42Å
236W33.4Very low28.6Very low179 Ų179142 Ų14268%0.67874%0.738SS**Hα-helixtrans-99.8-14-176.127.5147.9000112.3Y234Y234-W236 PolarHBondContact O-N 3.15Å
237L30.8Very low28.3Very low117 Ų117146.2 Ų146.261%0.61375%0.746SS**Hα-helixtrans-81.7-33.6168.3-92.1155000111.6Y234 K239 L240Y234-L237 HydrophobicContact CD1-CD1 3.72Å; Y234-L237 HydrophobicContact CE1-CD1 4.34Å; Y234-L237 PolarHBondContact O-N 3.05Å; Y234-L237 VanDerWaalsContact O-N 3.09Å; L237-K239 VanDerWaalsContact C-N 3.29Å; L237-K239 PolarHBondContact O-N 3.31Å; L237-L240 PolarHBondContact O-N 2.79Å
238S30.2Very low28.3Very low83 Ų83146.5 Ų146.558%0.5874%0.738SS**Hα-helixtrans-64.6-33177.2-44.70000112.8Y234 L240 S241Y234-S238 PolarHBondContact O-N 2.92Å; Y234-S238 PolarHBondContact O-OG 3.2Å; S238-L240 VanDerWaalsContact C-N 3.35Å; S238-L240 PolarHBondContact O-N 3.46Å; S238-S241 PolarHBondContact O-N 3.21Å
239K32.9Very low28.1Very low156 Ų156144 Ų14468%0.67873%0.733SS**THydrogen-bonded Turntrans-76.2-13.9-176.9-101-159.1175.8-167.70115.5L237 S241L237-K239 VanDerWaalsContact C-N 3.29Å; L237-K239 PolarHBondContact O-N 3.31Å; K239-S241 VanDerWaalsContact C-N 3.34Å
240L30.7Very low28.1Very low153 Ų153149.6 Ų149.680%0.80174%0.743SS**THydrogen-bonded Turntrans-84.2-12.5176.2-73169.6000112.7L237 S238L237-L240 PolarHBondContact O-N 2.79Å; S238-L240 VanDerWaalsContact C-N 3.35Å; S238-L240 PolarHBondContact O-N 3.46Å
241S31.9Very low28Very low100 Ų100150.6 Ų150.670%0.69974%0.743SS**THydrogen-bonded Turntrans-95.7-15.7-178.2-168.10000114.4S238 K239 K243S238-S241 PolarHBondContact O-N 3.21Å; K239-S241 VanDerWaalsContact C-N 3.34Å; S241-K243 PolarHBondContact O-N 2.05Å
242E29Very low28Very low171 Ų171150.2 Ų150.280%0.79974%0.742SS**  trans-89.786.1175.6-83.4177.1163.400109.9
243K27Very low27.8Very low196 Ų196150.5 Ų150.585%0.85274%0.743SS**  trans-56.8147.8149.2-73.4179.2173.5-179.40108.1S241S241-K243 PolarHBondContact O-N 2.05Å
244E24.7Very low27.7Very low182 Ų182151.6 Ų151.685%0.8575%0.748SS**SBendtrans101.599.1164.2-143.7160.7-147.900116.3
245S24.6Very low27.4Very low105 Ų105149.7 Ų149.773%0.73476%0.756SS**  trans40.599.3146.964.60000119.8
246V27.3Very low27.2Very low150 Ų150153 Ų15391%0.90977%0.765SS**  trans-143.3131.1137.1-178.80000109.5
247Q21.8Very low26.8Very low162 Ų162150.5 Ų150.576%0.75777%0.769SS**  trans-87.4146.1-179-169.7155.3-13.800110.5
248D23.7Very low26.6Very low126 Ų126149.9 Ų149.967%0.67477%0.772SS**SBendtrans67132.7161.6-63.6-24.9000121.9
249N24.4Very low26.5Very low147 Ų147152.5 Ų152.579%0.78679%0.788SS**  trans70.678.6156.1-59-28.3000118.9
250F25.9Very low26.3Very low199 Ų199150 Ų15087%0.87379%0.79SS**  trans-131112148.1-88.1-82.9000111.1F252F250-F252 PolarHBondContact O-N 2.75Å; F250-F252 VanDerWaalsContact O-N 3.15Å
251E22.6Very low26.2Very low188 Ų188154 Ų15488%0.87979%0.794SS**  trans-50.7112.5163.4-78.2175.7137.200109.3N253E251-N253 PolarHBondContact O-N 2.97Å
252F25.9Very low26Very low188 Ų188154.2 Ų154.283%0.82579%0.793SS**  trans-70.384.2165.5-95.8-89.6000108.6F250 I254F250-F252 PolarHBondContact O-N 2.75Å; F250-F252 VanDerWaalsContact O-N 3.15Å; F252-I254 HydrophobicContact CB-CG1 4.24Å; F252-I254 PolarHBondContact O-N 3.22Å
253N22.9Very low26Very low146 Ų146151.1 Ų151.178%0.78178%0.782SS**  trans-6196.3145.3-104.4-30.8000105.6E251 S255E251-N253 PolarHBondContact O-N 2.97Å; N253-S255 PolarHBondContact O-N 3.16Å
254I26.7Very low26.3Very low132 Ų132145.8 Ų145.868%0.67777%0.769SS**  trans-67.879.2172.4-55.6171.1000106.3F252 R256F252-I254 HydrophobicContact CB-CG1 4.24Å; F252-I254 PolarHBondContact O-N 3.22Å; I254-R256 PolarHBondContact O-N 3.33Å
255S26.5Very low26.8Very low110 Ų110141 Ų14177%0.76975%0.753SS**  trans-58.898.6158.5490000105.4N253 V257N253-S255 PolarHBondContact O-N 3.16Å; S255-V257 PolarHBondContact O-N 2.96Å; S255-V257 VanDerWaalsContact O-N 3.17Å
256R28.7Very low27.6Very low224 Ų224141.7 Ų141.785%0.84575%0.748SS**  trans-45.8119.6-173.9-68.3177.3179.9-159-1.3109.7I254 P258I254-R256 PolarHBondContact O-N 3.33Å; R256-P258 WeakPolarHBondContact O-CD 3.15Å; R256-P258 VanDerWaalsContact O-N 3.09Å
257V25.3Very low28.3Very low126 Ų126138 Ų13876%0.76473%0.726SS**  trans-43.8116.6166.1179.20000107.3S255 C259S255-V257 PolarHBondContact O-N 2.96Å; S255-V257 VanDerWaalsContact O-N 3.17Å; V257-C259 PolarHBondContact O-N 3.17Å; V257-C259 VanDerWaalsContact O-N 3.14Å
258P26.7Very low28.7Very low103 Ų103138.7 Ų138.767%0.66972%0.721SS**  trans-58123.5174.9-20.731.6000107.7R256 C260R256-P258 WeakPolarHBondContact O-CD 3.15Å; R256-P258 VanDerWaalsContact O-N 3.09Å; P258-C260 PolarHBondContact O-N 2.86Å
259C27.5Very low29.3Very low138 Ų138136 Ų13693%0.93271%0.709SS**  trans-62.777.6167.6-82.40000108.9V257 R261V257-C259 PolarHBondContact O-N 3.17Å; V257-C259 VanDerWaalsContact O-N 3.14Å; C259-R261 PolarHBondContact O-N 3.48Å
260C27.7Very low30.1Very low105 Ų105136.5 Ų136.571%0.70970%0.7SS**  trans-66.6124.6160.9-67.80000106.2P258P258-C260 PolarHBondContact O-N 2.86Å
261R29.4Very low30.6Very low235 Ų235131.7 Ų131.789%0.88768%0.683SS**  trans-40.4133.9161.3-101.7-175168174.7-3.2107.6C259 D263C259-R261 PolarHBondContact O-N 3.48Å; R261-D263 VanDerWaalsContact C-N 3.33Å; R261-D263 PolarHBondContact O-N 2.83Å
262P27.3Very low31.2Very low105 Ų105128.4 Ų128.468%0.68267%0.668SS**  trans-62.3103.3178.425.3-30.8000107S264 V267P262-S264 PolarHBondContact O-N 2.75Å; P262-V267 HydrophobicContact CB-CG2 4.06Å
263D28.8Very low31.9Very low106 Ų106124.8 Ų124.857%0.56766%0.656SS**  trans-62.8127.8172-144.2-15.5000105.8R261 T265 L266R261-D263 VanDerWaalsContact C-N 3.33Å; R261-D263 PolarHBondContact O-N 2.83Å; D263-T265 PolarHBondContact O-N 3.16Å; D263-L266 WeakPolarHBondContact O-CB 3.36Å; D263-L266 PolarHBondContact O-N 3.02Å
264S33.2Very low32.6Very low84 Ų84126.2 Ų126.259%0.58765%0.651SS**Hα-helixtrans-55.3-21.7-170.661.60000113.4P262 R268P262-S264 PolarHBondContact O-N 2.75Å; S264-R268 PolarHBondContact O-N 2.81Å
265T35.6Very low33.1Very low83 Ų83127.1 Ų127.151%0.50966%0.657SS.*Hα-helixtrans-65.7-44.2172.148.70000112.6D263 V267 R268 T269D263-T265 PolarHBondContact O-N 3.16Å; T265-V267 PolarHBondContact O-N 2.96Å; T265-R268 WeakPolarHBondContact O-CB 3.41Å; T265-R268 PolarHBondContact O-N 2.76Å; T265-T269 PolarHBondContact O-N 3.33Å; T265-T269 PolarHBondContact O-OG1 3.47Å
266L40.9Very low33.3Very low119 Ų119126.1 Ų126.162%0.62365%0.65SS**Hα-helixtrans-63.3-39.9177.6-89.8163.3000112.2D263 R268 T269 W270D263-L266 WeakPolarHBondContact O-CB 3.36Å; D263-L266 PolarHBondContact O-N 3.02Å; L266-R268 VanDerWaalsContact C-N 3.34Å; L266-T269 PolarHBondContact O-N 2.99Å; L266-W270 WeakPolarHBondContact O-CB 3.28Å; L266-W270 PolarHBondContact O-N 2.62Å
267V41.8Very low33.1Very low73 Ų73123.2 Ų123.244%0.44265%0.646SS.*Hα-helixtrans-66.2-39.6176.2179.60000110.4P262 T265 L271P262-V267 HydrophobicContact CB-CG2 4.06Å; T265-V267 PolarHBondContact O-N 2.96Å; V267-L271 HydrophobicContact CG1-CD1 4.06Å; V267-L271 WeakPolarHBondContact O-CB 3.47Å; V267-L271 WeakPolarHBondContact O-CD1 3.44Å; V267-L271 VanDerWaalsContact O-CG 3.26Å; V267-L271 WeakPolarHBondContact O-CG 3.34Å; V267-L271 PolarHBondContact O-N 2.95Å
268R32.2Very low33.4Very low175 Ų175122 Ų12266%0.6664%0.641SS**Hα-helixtrans-64.1-49.8173.2-97.4-176.8174.6155.7-1.6112.6S264 T265 L266 W270 L271 E272S264-R268 PolarHBondContact O-N 2.81Å; T265-R268 WeakPolarHBondContact O-CB 3.41Å; T265-R268 PolarHBondContact O-N 2.76Å; L266-R268 VanDerWaalsContact C-N 3.34Å; R268-W270 VanDerWaalsContact C-N 3.27Å; R268-W270 PolarHBondContact O-N 3Å; R268-L271 PolarHBondContact O-N 3.46Å; R268-L271 VanDerWaalsContact O-N 3.14Å; R268-E272 WeakPolarHBondContact O-CB 3.24Å; R268-E272 WeakPolarHBondContact O-CG 3.4Å; R268-E272 PolarHBondContact O-N 2.94Å
269T35.3Very low33.6Very low69 Ų69122.8 Ų122.842%0.42365%0.646SS.*Hα-helixtrans-63.1-35.6178.4-46.80000111.3T265 L266 L273T265-T269 PolarHBondContact O-N 3.33Å; T265-T269 PolarHBondContact O-OG1 3.47Å; L266-T269 PolarHBondContact O-N 2.99Å; T269-L273 HydrophobicContact CG2-CD1 4.08Å; T269-L273 WeakPolarHBondContact O-CB 3.46Å; T269-L273 WeakPolarHBondContact O-CD1 3.39Å; T269-L273 WeakPolarHBondContact O-CG 3.35Å; T269-L273 PolarHBondContact O-N 3.43Å
270W40.9Very low33.6Very low159 Ų159122.7 Ų122.760%0.60264%0.641SS**Hα-helixtrans-68.7-34.6175.6-162.685.4000112.7L266 R268L266-W270 WeakPolarHBondContact O-CB 3.28Å; L266-W270 PolarHBondContact O-N 2.62Å; R268-W270 VanDerWaalsContact C-N 3.27Å; R268-W270 PolarHBondContact O-N 3Å
271L36.7Very low33.7Very low98 Ų98123.2 Ų123.251%0.51364%0.641SS.*Hα-helixtrans-71.2-46.3172.3-73.6165.7000111.5V267 R268 L273 R274 D275V267-L271 HydrophobicContact CG1-CD1 4.06Å; V267-L271 WeakPolarHBondContact O-CB 3.47Å; V267-L271 WeakPolarHBondContact O-CD1 3.44Å; V267-L271 VanDerWaalsContact O-CG 3.26Å; V267-L271 WeakPolarHBondContact O-CG 3.34Å; V267-L271 PolarHBondContact O-N 2.95Å; R268-L271 PolarHBondContact O-N 3.46Å; R268-L271 VanDerWaalsContact O-N 3.14Å; L271-L273 VanDerWaalsContact C-N 3.34Å; L271-L273 PolarHBondContact O-N 2.96Å; L271-R274 PolarHBondContact O-N 3.39Å; L271-R274 VanDerWaalsContact O-N 3.16Å; L271-D275 PolarHBondContact O-N 3.34Å
272E36.1Very low33.4Very low119 Ų119120.6 Ų120.656%0.55664%0.638SS**Hα-helixtrans-63.1-35.7179.9-75.6173.117700112.9R268 R274 D275 S276R268-E272 WeakPolarHBondContact O-CB 3.24Å; R268-E272 WeakPolarHBondContact O-CG 3.4Å; R268-E272 PolarHBondContact O-N 2.94Å; E272-R274 VanDerWaalsContact C-N 3.33Å; E272-R274 PolarHBondContact O-N 2.88Å; E272-D275 PolarHBondContact O-N 3.33Å; E272-S276 PolarHBondContact O-N 3.24Å; E272-S276 PolarHBondContact O-OG 3.03Å
273L38.9Very low33.4Very low111 Ų111120.7 Ų120.758%0.58164%0.639SS**Hα-helixtrans-68.2-28.2176.4-81.7163.6000113.2T269 L271T269-L273 HydrophobicContact CG2-CD1 4.08Å; T269-L273 WeakPolarHBondContact O-CB 3.46Å; T269-L273 WeakPolarHBondContact O-CD1 3.39Å; T269-L273 WeakPolarHBondContact O-CG 3.35Å; T269-L273 PolarHBondContact O-N 3.43Å; L271-L273 VanDerWaalsContact C-N 3.34Å; L271-L273 PolarHBondContact O-N 2.96Å
274R39.2Very low33.3Very low177 Ų177122.6 Ų122.667%0.66866%0.655SS**Hα-helixtrans-80.6-30.4177.3-71.1-169.293.5165.26112.9L271 E272 S276L271-R274 PolarHBondContact O-N 3.39Å; L271-R274 VanDerWaalsContact O-N 3.16Å; E272-R274 VanDerWaalsContact C-N 3.33Å; E272-R274 PolarHBondContact O-N 2.88Å; R274-S276 PolarHBondContact O-N 3.4Å
275D36.9Very low32.8Very low151 Ų151123.1 Ų123.181%0.80766%0.658SS**Hα-helixtrans-70.5-20.7173.8-73.2-18.6000112L271 E272L271-D275 PolarHBondContact O-N 3.34Å; E272-D275 PolarHBondContact O-N 3.33Å
276S29.7Very low32.2Very low89 Ų89129.1 Ų129.162%0.62267%0.673SS**THydrogen-bonded Turntrans-99-4.3-172.6-50.40000115.8E272 R274 P278E272-S276 PolarHBondContact O-N 3.24Å; E272-S276 PolarHBondContact O-OG 3.03Å; R274-S276 PolarHBondContact O-N 3.4Å; S276-P278 WeakPolarHBondContact O-CD 3.41Å
277Q25.5Very low31.6Very low163 Ų163131.9 Ų131.976%0.76268%0.683SS**  trans-107.8102.7176-92.4-168.3-14.700111.8
278P31.8Very low30.7Very low100 Ų100139 Ų13965%0.64971%0.708SS**  trans-63.6140.5163.926-30.5000109.3S276 T280S276-P278 WeakPolarHBondContact O-CD 3.41Å; P278-T280 PolarHBondContact O-N 3.2Å; P278-T280 PolarHBondContact O-OG1 2.7Å
279P30.7Very low30.4Very low119 Ų119133.7 Ų133.777%0.77371%0.707SS**  trans-63.6104.5-170.924.6-32.7000109.8V281P279-V281 PolarHBondContact O-N 3.33Å; P279-V281 VanDerWaalsContact O-N 3.11Å
280T27.4Very low29.9Very low136 Ų136139.3 Ų139.383%0.83473%0.729SS**  trans-77.6100.5170.1-42.20000106.5P278 E282P278-T280 PolarHBondContact O-N 3.2Å; P278-T280 PolarHBondContact O-OG1 2.7Å; T280-E282 PolarHBondContact O-N 2.72Å
281V28.6Very low29.1Very low117 Ų117140.2 Ų140.271%0.70974%0.744SS**  trans-66.1118.8176.1178.60000108.4P279P279-V281 PolarHBondContact O-N 3.33Å; P279-V281 VanDerWaalsContact O-N 3.11Å
282E24.3Very low28.7Very low179 Ų179146.2 Ų146.284%0.83676%0.762SS**  trans-111.3134.5150.1-86.4-125.8152.800109.4T280T280-E282 PolarHBondContact O-N 2.72Å
283P26.8Very low28Very low108 Ų108143.4 Ų143.470%0.70176%0.764SS**  trans-103.5108.1-161.832.7-17000110
284T27.3Very low27.4Very low145 Ų145146.1 Ų146.189%0.8978%0.779SS**  trans-100.6108.2157.24.60000108.1
285S22.4Very low26.7Very low95 Ų95144 Ų14466%0.66478%0.781SS**  trans-46.5130.1176.655.70000112.6
286Y23.7Very low26.2Very low209 Ų209143.6 Ų143.682%0.8278%0.778SS**  -165.6123.8125.2-92.6-72.2000108.2
287H27.8Very low25.9Very low177 Ų177144.7 Ų144.782%0.81978%0.782SS**  trans59.675.8167.7-62-63.6000118.8G289H287-G289 PolarHBondContact O-N 2.69Å
288K23.5Very low26Very low224 Ų224144 Ų14497%0.97478%0.782SS**  trans-63106.6143.6-101.1178.9173.2176.90108.3
289G24.3Very low25.6Very low63 Ų63147.7 Ų147.765%0.64979%0.788SS**  trans-157.991.5170.700000108.9H287H287-G289 PolarHBondContact O-N 2.69Å
290E25Very low25.3Very low187 Ų187148 Ų14887%0.87479%0.79SS**  trans6560.5151.3-58179.8170.900118.1Y292E290-Y292 VanDerWaalsContact C-N 3.3Å; E290-Y292 PolarHBondContact O-N 3.3Å
291L25.7Very low25.2Very low177 Ų177145.4 Ų145.493%0.92778%0.777SS**  trans-89.370.8146.9-78.4167000109.1
292Y26.9Very low25Very low225 Ų225147.5 Ų147.588%0.88279%0.785SS**  trans-122.5112.6161.7-81.7-77.4000109.2E290E290-Y292 VanDerWaalsContact C-N 3.3Å; E290-Y292 PolarHBondContact O-N 3.3Å
293G22.1Very low25.3Very low59 Ų59149.1 Ų149.161%0.60879%0.785SS**  trans90.348.8148.400000118.2N295G293-N295 PolarHBondContact O-N 3.22Å
294L26.6Very low25.4Very low169 Ų169148.5 Ų148.589%0.88578%0.783SS**  trans-72.478.2145.8-85.3166.9000108.1N296L294-N296 PolarHBondContact O-N 3.14Å
295N24.3Very low25.8Very low133 Ų133149.4 Ų149.471%0.71178%0.782SS**  trans-56.1102.3161-76.4-31.1000107.2G293 T297G293-N295 PolarHBondContact O-N 3.22Å; N295-T297 PolarHBondContact O-N 3.16Å; N295-T297 PolarHBondContact O-OG1 2.99Å
296N25.7Very low26.4Very low141 Ų141153.2 Ų153.275%0.75479%0.787SS**  trans-68.556.9162.4-83.5-19.9000109.8L294 L298L294-N296 PolarHBondContact O-N 3.14Å; N296-L298 PolarHBondContact O-N 2.82Å
297T22.8Very low27.3Very low113 Ų113147.4 Ų147.469%0.69378%0.777SS**  trans-74.470.7150.53.70000106.5N295 K299N295-T297 PolarHBondContact O-N 3.16Å; N295-T297 PolarHBondContact O-OG1 2.99Å; T297-K299 PolarHBondContact O-N 3.35Å
298L28.3Very low28.1Very low148 Ų148144.6 Ų144.678%0.77577%0.773SS**  trans-63.783.1153.2-85.5150.5000105.6N296N296-L298 PolarHBondContact O-N 2.82Å
299K23.1Very low28.9Very low178 Ų178136 Ų13677%0.77474%0.741SS**  trans-51.4124.6157.6-89.6-178.6174176.50105.5T297 S301T297-K299 PolarHBondContact O-N 3.35Å; K299-S301 VanDerWaalsContact C-N 3.29Å; K299-S301 PolarHBondContact O-N 2.94Å
300P24.9Very low29.9Very low124 Ų124139 Ų13981%0.80574%0.737SS**  trans-65.596.8176.626.2-30.7000107.1N302P300-N302 PolarHBondContact O-N 2.95Å
301S25.5Very low30.9Very low82 Ų82133.3 Ų133.357%0.57372%0.719SS**  trans-64.9122.116353.50000106.3K299 Y303K299-S301 VanDerWaalsContact C-N 3.29Å; K299-S301 PolarHBondContact O-N 2.94Å; S301-Y303 WeakPolarHBondContact O-CD2 3.27Å; S301-Y303 PolarHBondContact O-N 3.2Å
302N23.7Very low31.7Very low162 Ų162127.2 Ų127.287%0.86669%0.685SS**  trans-38.192.3173.7-71.7-31.2000112.2P300 S304P300-N302 PolarHBondContact O-N 2.95Å; N302-S304 VanDerWaalsContact C-N 3.27Å; N302-S304 PolarHBondContact O-N 3.38Å
303Y30.3Very low32.5Very low213 Ų213118.7 Ų118.784%0.83565%0.654SS**  trans-84.279.6163.1-90.3-84.6000106.8S301 N305S301-Y303 WeakPolarHBondContact O-CD2 3.27Å; S301-Y303 PolarHBondContact O-N 3.2Å; Y303-N305 PolarHBondContact O-N 3.09Å
304S29.6Very low33.8Very low95 Ų95121.8 Ų121.866%0.66466%0.656SS**  trans-74.7110162.9590000108.7N302 K306N302-S304 VanDerWaalsContact C-N 3.27Å; N302-S304 PolarHBondContact O-N 3.38Å; S304-K306 PolarHBondContact O-N 3.05Å
305N36Very low34.5Very low164 Ų164120.6 Ų120.688%0.87765%0.65SS**SBendtrans37.941.3149.9-66.8-8.7000120.4Y303Y303-N305 PolarHBondContact O-N 3.09Å
306K35.4Very low35.6Very low174 Ų174115.8 Ų115.876%0.75763%0.625SS**  trans-101.3-3.2174.9-94-174.6175.3-172.90117.5S304S304-K306 PolarHBondContact O-N 3.05Å
307S42.4Very low36.5Very low87 Ų87114.5 Ų114.561%0.60862%0.618SS**Hα-helixtrans-96.3-20.3-166.467.80000117.7S311S307-S311 PolarHBondContact O-OG 2.8Å
308T43.7Very low37.5Very low119 Ų119109.7 Ų109.773%0.7359%0.589SS**Hα-helixtrans-82.1-37-17649.20000113.2F312T308-F312 PolarHBondContact O-N 3.13Å
309S41.8Very low38.5Very low44 Ų44107.8 Ų107.831%0.30859%0.588SS.*Hα-helixtrans-73.1-46.7178.7135.60000111.4S311 F312 D313 S323S309-S311 VanDerWaalsContact C-N 3.29Å; S309-S311 PolarHBondContact O-N 2.81Å; S309-F312 CarbonylContact O-C 3.37Å; S309-F312 WeakPolarHBondContact O-CA 3.44Å; S309-F312 WeakPolarHBondContact O-CB 3.22Å; S309-F312 PolarHBondContact O-N 3.32Å; S309-D313 PolarHBondContact O-N 3.35Å; S309-D313 PolarHBondContact OG-OD2 3.45Å; S309-S323 VanDerWaalsContact CA-O 3.28Å; S309-S323 WeakPolarHBondContact CA-O 3.34Å; S309-S323 WeakPolarHBondContact CB-O 3.29Å
310E44Very low39.7Very low124 Ų124107.7 Ų107.758%0.57959%0.59SS**Hα-helixtrans-60.9-37.6-176.8-150.5168.6-14200112.2F312 I314E310-F312 VanDerWaalsContact C-N 3.33Å; E310-F312 PolarHBondContact O-N 3.49Å; E310-I314 VanDerWaalsContact O-CD1 3.28Å; E310-I314 WeakPolarHBondContact O-CD1 3.14Å; E310-I314 WeakPolarHBondContact O-CG1 3.44Å; E310-I314 PolarHBondContact O-N 2.91Å; E310-I314 VanDerWaalsContact O-N 3.12Å
311S46.5Very low40.7Very low69 Ų69109 Ų10948%0.48359%0.591SS.*Hα-helixtrans-67.3-32.9174.1-54.80000112.8S307 S309 L315S307-S311 PolarHBondContact O-OG 2.8Å; S309-S311 VanDerWaalsContact C-N 3.29Å; S309-S311 PolarHBondContact O-N 2.81Å; S311-L315 WeakPolarHBondContact O-CG 3.28Å; S311-L315 PolarHBondContact O-N 3.37Å
312F42.3Very low42.1Very low48 Ų48107 Ų10721%0.21157%0.573CS.*Hα-helixtrans-78.7-39.5-179.8-141.2-90.9000111.6T308 S309 E310 I314 L315 T316 L325 W328T308-F312 PolarHBondContact O-N 3.13Å; S309-F312 CarbonylContact O-C 3.37Å; S309-F312 WeakPolarHBondContact O-CA 3.44Å; S309-F312 WeakPolarHBondContact O-CB 3.22Å; S309-F312 PolarHBondContact O-N 3.32Å; E310-F312 VanDerWaalsContact C-N 3.33Å; E310-F312 PolarHBondContact O-N 3.49Å; F312-I314 VanDerWaalsContact C-N 3.31Å; F312-I314 PolarHBondContact O-N 2.85Å; F312-L315 PolarHBondContact O-N 3.35Å; F312-T316 HydrophobicContact CD1-CG2 3.94Å; F312-T316 HydrophobicContact CE1-CG2 3.79Å; F312-T316 WeakPolarHBondContact O-CB 2.98Å; F312-T316 PolarHBondContact O-N 2.76Å; F312-T316 PolarHBondContact O-OG1 3.21Å; F312-L325 HydrophobicContact CE1-CB 4.23Å; F312-L325 HydrophobicContact CE2-CB 3.72Å; F312-L325 HydrophobicContact CE2-CD1 4.28Å; F312-L325 HydrophobicContact CE2-CG 4.48Å; F312-L325 HydrophobicContact CZ-CB 3.49Å; F312-L325 VanDerWaalsContact CZ-CB 3.49Å; F312-L325 HydrophobicContact CZ-CD1 3.6Å; F312-L325 HydrophobicContact CZ-CG 4.1Å; F312-W328 HydrophobicContact CE1-CB 4.47Å
313D42.8Very low43.3Very low46 Ų46101.6 Ų101.625%0.24655%0.548CS..Hα-helixtrans-61.6-40.6175.1-61.9-33000110.5S309 N317 S323S309-D313 PolarHBondContact O-N 3.35Å; S309-D313 PolarHBondContact OG-OD2 3.45Å; D313-N317 VanDerWaalsContact O-CA 3.23Å; D313-N317 WeakPolarHBondContact O-CA 3.12Å; D313-N317 PolarHBondContact O-N 2.91Å; D313-S323 WeakPolarHBondContact OD1-CA 3.28Å
314I51Low44.3Very low125 Ų12594.3 Ų94.364%0.64152%0.523SS*.Hα-helixtrans-65.2-42.2174.7-66.9162.8000111.8E310 F312E310-I314 VanDerWaalsContact O-CD1 3.28Å; E310-I314 WeakPolarHBondContact O-CD1 3.14Å; E310-I314 WeakPolarHBondContact O-CG1 3.44Å; E310-I314 PolarHBondContact O-N 2.91Å; E310-I314 VanDerWaalsContact O-N 3.12Å; F312-I314 VanDerWaalsContact C-N 3.31Å; F312-I314 PolarHBondContact O-N 2.85Å
315L41.4Very low45.3Very low144 Ų14494.2 Ų94.275%0.75452%0.515SS*.Hα-helixtrans-71.5-34.2-178.4-75.8170.8000112.9S311 F312S311-L315 WeakPolarHBondContact O-CG 3.28Å; S311-L315 PolarHBondContact O-N 3.37Å; F312-L315 PolarHBondContact O-N 3.35Å
316T47.5Very low46.1Very low32 Ų3293.2 Ų93.220%0.19650%0.503CS..Hα-helixtrans-102.1-8.7-173.9590000113.6F312 S318 M339F312-T316 HydrophobicContact CD1-CG2 3.94Å; F312-T316 HydrophobicContact CE1-CG2 3.79Å; F312-T316 WeakPolarHBondContact O-CB 2.98Å; F312-T316 PolarHBondContact O-N 2.76Å; F312-T316 PolarHBondContact O-OG1 3.21Å; T316-S318 PolarHBondContact O-N 3.49Å; T316-S318 VanDerWaalsContact OG1-CB 3.24Å; T316-S318 WeakPolarHBondContact OG1-CB 2.97Å; T316-S318 PolarHBondContact OG1-N 2.89Å; T316-M339 VanDerWaalsContact O-CE 3.26Å; T316-M339 WeakPolarHBondContact O-CE 3.37Å
317N44.2Very low46.9Very low114 Ų11487.8 Ų87.861%0.6148%0.482SS*.  trans48.722.6-166.8-79.5-27.9000113.5D313 S319D313-N317 VanDerWaalsContact O-CA 3.23Å; D313-N317 WeakPolarHBondContact O-CA 3.12Å; D313-N317 PolarHBondContact O-N 2.91Å; N317-S319 PolarHBondContact O-N 3.42Å
318S42.6Very low47.4Very low11 Ų1187.2 Ų87.28%0.07747%0.466CS..  trans-67.996.7172.4166.80000107.9T316 M322T316-S318 PolarHBondContact O-N 3.49Å; T316-S318 VanDerWaalsContact OG1-CB 3.24Å; T316-S318 WeakPolarHBondContact OG1-CB 2.97Å; T316-S318 PolarHBondContact OG1-N 2.89Å; S318-M322 WeakPolarHBondContact CB-O 2.91Å; S318-M322 WeakPolarHBondContact OG-CA 3.37Å; S318-M322 WeakPolarHBondContact OG-CB 3.49Å; S318-M322 PolarHBondContact OG-N 2.89Å; S318-M322 PolarHBondContact OG-O 2.92Å
319S49.1Very low47.8Very low108 Ų10887.2 Ų87.276%0.75546%0.461SS*.  trans-92.7-7.5-174.346.20000114.1N317N317-S319 PolarHBondContact O-N 3.42Å
320Q49.5Very low48.2Very low176 Ų17692.9 Ų92.982%0.82248%0.481SS*.SBendtrans-139.6-10.5-168.6-73.4-174.8-1200119
321N46.2Very low48.5Very low151 Ų15187.9 Ų87.981%0.80746%0.459SS*.SBendtrans-160.1-5.1175-121.1-6.9000118.1
322M54.1Low48.6Very low42 Ų4289 Ų8921%0.20746%0.46CS..  trans-123.383.3-173.6-66.5-117.8145.100110.1S318 D327 W328 C331S318-M322 WeakPolarHBondContact CB-O 2.91Å; S318-M322 WeakPolarHBondContact OG-CA 3.37Å; S318-M322 WeakPolarHBondContact OG-CB 3.49Å; S318-M322 PolarHBondContact OG-N 2.89Å; S318-M322 PolarHBondContact OG-O 2.92Å; M322-D327 HydrophobicContact CE-CB 3.85Å; M322-D327 VanDerWaalsContact CE-O 3.24Å; M322-D327 WeakPolarHBondContact CE-O 3.46Å; M322-D327 HydrophobicContact SD-CB 3.83Å; M322-W328 VanDerWaalsContact SD-CA 3.59Å; M322-W328 HydrophobicContact SD-CB 4.49Å; M322-W328 PolarHBondContact SD-N 3.25Å; M322-C331 HydrophobicContact CE-CB 4.09Å; M322-C331 WeakPolarHBondContact CE-SG 3.44Å; M322-C331 HydrophobicContact SD-CB 3.94Å; M322-C331 PolarHBondContact SD-SG 3.39Å
323S50Low48.8Very low48 Ų4889.9 Ų89.934%0.33647%0.47SS..  trans-93.50.5-173.465.80000113.8S309 D313S309-S323 VanDerWaalsContact CA-O 3.28Å; S309-S323 WeakPolarHBondContact CA-O 3.34Å; S309-S323 WeakPolarHBondContact CB-O 3.29Å; D313-S323 WeakPolarHBondContact OD1-CA 3.28Å
324N50.3Low49Very low60 Ų6089.8 Ų89.832%0.32148%0.476SS..SBendtrans-143.9156.9178.369.660.6000112K326 D327 W328N324-K326 PolarHBondContact O-N 2.91Å; N324-K326 WeakPolarHBondContact OD1-CA 3.24Å; N324-K326 VanDerWaalsContact OD1-CB 3.28Å; N324-K326 WeakPolarHBondContact OD1-CB 3.4Å; N324-K326 PolarHBondContact OD1-N 2.89Å; N324-D327 VanDerWaalsContact CG-OD2 3.27Å; N324-D327 PolarHBondContact ND2-OD2 3.21Å; N324-D327 PolarHBondContact O-N 3.35Å; N324-D327 VanDerWaalsContact OD1-CG 3.24Å; N324-D327 PolarHBondContact OD1-N 3.28Å; N324-D327 PolarHBondContact OD1-OD2 2.9Å; N324-W328 PolarHBondContact O-N 3.45Å
325L51.4Low48.9Very low93 Ų9389.6 Ų89.649%0.48747%0.472SS..Hα-helixtrans-57.7-31.8178.717965000113F312 W328 L329F312-L325 HydrophobicContact CE1-CB 4.23Å; F312-L325 HydrophobicContact CE2-CB 3.72Å; F312-L325 HydrophobicContact CE2-CD1 4.28Å; F312-L325 HydrophobicContact CE2-CG 4.48Å; F312-L325 HydrophobicContact CZ-CB 3.49Å; F312-L325 VanDerWaalsContact CZ-CB 3.49Å; F312-L325 HydrophobicContact CZ-CD1 3.6Å; F312-L325 HydrophobicContact CZ-CG 4.1Å; L325-W328 PolarHBondContact O-N 3.05Å; L325-L329 HydrophobicContact CD1-CD1 4.37Å; L325-L329 HydrophobicContact CD1-CG 4.29Å; L325-L329 HydrophobicContact CG-CD1 4.08Å; L325-L329 HydrophobicContact CG-CG 4.42Å; L325-L329 WeakPolarHBondContact O-CG 3.35Å; L325-L329 PolarHBondContact O-N 2.82Å
326K51.9Low49.3Very low143 Ų14383.6 Ų83.662%0.62244%0.441SS*.Hα-helixtrans-67.3-48.9-176.9-170.5-176.9177.6-175.10109.9N324 W328 L329 F330N324-K326 PolarHBondContact O-N 2.91Å; N324-K326 WeakPolarHBondContact OD1-CA 3.24Å; N324-K326 VanDerWaalsContact OD1-CB 3.28Å; N324-K326 WeakPolarHBondContact OD1-CB 3.4Å; N324-K326 PolarHBondContact OD1-N 2.89Å; K326-W328 VanDerWaalsContact C-N 3.26Å; K326-W328 PolarHBondContact O-N 3.38Å; K326-L329 PolarHBondContact O-N 3.45Å; K326-F330 HydrophobicContact CG-CD2 4.05Å; K326-F330 HydrophobicContact CG-CE2 3.75Å; K326-F330 WeakPolarHBondContact O-CD2 3.25Å; K326-F330 PolarHBondContact O-N 3Å
327D51.3Low49.2Very low60 Ų6086 Ų8632%0.32145%0.446SS..Hα-helixtrans-60-41.3176.9-61-20.8000109.9M322 N324 L329 F330 C331M322-D327 HydrophobicContact CE-CB 3.85Å; M322-D327 VanDerWaalsContact CE-O 3.24Å; M322-D327 WeakPolarHBondContact CE-O 3.46Å; M322-D327 HydrophobicContact SD-CB 3.83Å; N324-D327 VanDerWaalsContact CG-OD2 3.27Å; N324-D327 PolarHBondContact ND2-OD2 3.21Å; N324-D327 PolarHBondContact O-N 3.35Å; N324-D327 VanDerWaalsContact OD1-CG 3.24Å; N324-D327 PolarHBondContact OD1-N 3.28Å; N324-D327 PolarHBondContact OD1-OD2 2.9Å; D327-L329 PolarHBondContact O-N 2.81Å; D327-F330 PolarHBondContact O-N 3.34Å; D327-C331 PolarHBondContact O-N 2.73Å
328W53.6Low49.2Very low74 Ų7487.1 Ų87.128%0.2845%0.453SS..Hα-helixtrans-62.1-37.7178-156.786000113.6F312 M322 N324 L325 K326 F330 C331 L336 L342F312-W328 HydrophobicContact CE1-CB 4.47Å; M322-W328 VanDerWaalsContact SD-CA 3.59Å; M322-W328 HydrophobicContact SD-CB 4.49Å; M322-W328 PolarHBondContact SD-N 3.25Å; N324-W328 PolarHBondContact O-N 3.45Å; L325-W328 PolarHBondContact O-N 3.05Å; K326-W328 VanDerWaalsContact C-N 3.26Å; K326-W328 PolarHBondContact O-N 3.38Å; W328-F330 VanDerWaalsContact C-N 3.33Å; W328-F330 PolarHBondContact O-N 3.36Å; W328-C331 WeakPolarHBondContact O-CB 3.28Å; W328-C331 PolarHBondContact O-N 3.2Å; W328-L336 HydrophobicContact CD2-CD2 4.49Å; W328-L336 HydrophobicContact CZ2-CD2 4.04Å; W328-L342 HydrophobicContact CZ2-CD1 4Å
329L51.5Low49.4Very low120 Ų12088 Ų8863%0.62846%0.456SS*.Hα-helixtrans-72.8-22.7178.5-74.2170.3000113.8L325 K326 D327L325-L329 HydrophobicContact CD1-CD1 4.37Å; L325-L329 HydrophobicContact CD1-CG 4.29Å; L325-L329 HydrophobicContact CG-CD1 4.08Å; L325-L329 HydrophobicContact CG-CG 4.42Å; L325-L329 WeakPolarHBondContact O-CG 3.35Å; L325-L329 PolarHBondContact O-N 2.82Å; K326-L329 PolarHBondContact O-N 3.45Å; D327-L329 PolarHBondContact O-N 2.81Å
330F51.5Low48.7Very low162 Ų16287.8 Ų87.871%0.71145%0.452SS*.THydrogen-bonded Turntrans-100.26177.2-65.4-69.2000112.9K326 D327 W328K326-F330 HydrophobicContact CG-CD2 4.05Å; K326-F330 HydrophobicContact CG-CE2 3.75Å; K326-F330 WeakPolarHBondContact O-CD2 3.25Å; K326-F330 PolarHBondContact O-N 3Å; D327-F330 PolarHBondContact O-N 3.34Å; W328-F330 VanDerWaalsContact C-N 3.33Å; W328-F330 PolarHBondContact O-N 3.36Å
331C49.6Very low48Very low19 Ų1983.2 Ų83.213%0.12845%0.452CS..SBendtrans-70.4136.4177.4-133.50000110.5M322 D327 W328 L336M322-C331 HydrophobicContact CE-CB 4.09Å; M322-C331 WeakPolarHBondContact CE-SG 3.44Å; M322-C331 HydrophobicContact SD-CB 3.94Å; M322-C331 PolarHBondContact SD-SG 3.39Å; D327-C331 PolarHBondContact O-N 2.73Å; W328-C331 WeakPolarHBondContact O-CB 3.28Å; W328-C331 PolarHBondContact O-N 3.2Å; C331-L336 HydrophobicContact CB-CD2 4.07Å; C331-L336 HydrophobicContact CB-CG 4.17Å
332D48Very low47.5Very low93 Ų9380.2 Ų80.250%0.49744%0.435SS..  trans-63.1130177.7-157.9-12.6000109.3A334 E335 L336D332-A334 PolarHBondContact O-N 3.39Å; D332-E335 HydrophobicContact CB-CG 4.37Å; D332-E335 PolarHBondContact O-N 3.34Å; D332-L336 PolarHBondContact O-N 3.23Å
333P47.8Very low46.2Very low66 Ų6680.6 Ų80.643%0.42944%0.442SS..Hα-helixtrans-56.2-22.2-176.7-29.435.8000114.9R337P333-R337 PolarHBondContact O-N 3.21Å
334A47.1Very low45.6Very low45 Ų4582.2 Ų82.237%0.37245%0.45SS..Hα-helixtrans-68.3-41.2172.800000112.4D332 L336 R337D332-A334 PolarHBondContact O-N 3.39Å; A334-L336 VanDerWaalsContact C-N 3.31Å; A334-L336 PolarHBondContact O-N 2.97Å; A334-R337 WeakPolarHBondContact O-CB 3.25Å; A334-R337 PolarHBondContact O-N 3.23Å
335E49Very low44.4Very low120 Ų12087.6 Ų87.656%0.56147%0.471SS*.Hα-helixtrans-68.2-32.7177.2-64.9-174.5165.900111.4D332 R337 D338D332-E335 HydrophobicContact CB-CG 4.37Å; D332-E335 PolarHBondContact O-N 3.34Å; E335-R337 PolarHBondContact O-N 3.43Å; E335-D338 PolarHBondContact O-N 3.12Å
336L49.5Very low43.2Very low19 Ų1990.8 Ų90.810%0.09949%0.487CS..Hα-helixtrans-64.3-25.1174.3-68176.4000113.2W328 C331 D332 A334 D338 M339W328-L336 HydrophobicContact CD2-CD2 4.49Å; W328-L336 HydrophobicContact CZ2-CD2 4.04Å; C331-L336 HydrophobicContact CB-CD2 4.07Å; C331-L336 HydrophobicContact CB-CG 4.17Å; D332-L336 PolarHBondContact O-N 3.23Å; A334-L336 VanDerWaalsContact C-N 3.31Å; A334-L336 PolarHBondContact O-N 2.97Å; L336-D338 VanDerWaalsContact C-N 3.34Å; L336-M339 HydrophobicContact CD2-SD 4.11Å
337R44.9Very low42Very low81 Ų8190.6 Ų90.631%0.30649%0.493SS..Hα-helixtrans-71.7-28.5176.7-78.3-177.7153.6-165.8-9.4113.5P333 A334 E335 M339 S343 I375P333-R337 PolarHBondContact O-N 3.21Å; A334-R337 WeakPolarHBondContact O-CB 3.25Å; A334-R337 PolarHBondContact O-N 3.23Å; E335-R337 PolarHBondContact O-N 3.43Å; R337-M339 VanDerWaalsContact C-N 3.3Å; R337-S343 WeakPolarHBondContact O-CA 3.47Å; R337-S343 VanDerWaalsContact O-CB 3.25Å; R337-S343 WeakPolarHBondContact O-CB 3.39Å; R337-S343 PolarHBondContact O-OG 3.49Å; R337-I375 PolarHBondContact NH2-O 3.22Å
338D45.1Very low40.8Very low138 Ų13895 Ų9574%0.73851%0.511SS*.Hα-helixtrans-84.9-8.5-178.5-69.3-23.9000112.1E335 L336 P340E335-D338 PolarHBondContact O-N 3.12Å; L336-D338 VanDerWaalsContact C-N 3.34Å; D338-P340 WeakPolarHBondContact O-CD 3.33Å
339M45.8Very low39.5Very low31 Ų3199.2 Ų99.215%0.15354%0.539CS..SBendtrans-66.7125.1175.7-77.8-171.274.300111.4T316 L336 R337 G341 L342 S343T316-M339 VanDerWaalsContact O-CE 3.26Å; T316-M339 WeakPolarHBondContact O-CE 3.37Å; L336-M339 HydrophobicContact CD2-SD 4.11Å; R337-M339 VanDerWaalsContact C-N 3.3Å; M339-G341 PolarHBondContact O-N 3.01Å; M339-L342 HydrophobicContact CB-CB 4.46Å; M339-L342 HydrophobicContact CB-CD1 4.24Å; M339-L342 PolarHBondContact O-N 3.11Å; M339-L342 VanDerWaalsContact O-N 3.09Å; M339-L342 HydrophobicContact SD-CD1 4.39Å; M339-S343 PolarHBondContact O-N 3.17Å; M339-S343 VanDerWaalsContact O-N 3.13Å
340P34.7Very low38.3Very low103 Ų10399.2 Ų99.267%0.66954%0.54SS*.THydrogen-bonded Turntrans-62.8122175.224.2-30.8000109.9D338D338-P340 WeakPolarHBondContact O-CD 3.33Å
341G35.4Very low37Very low79 Ų7994.8 Ų94.881%0.81454%0.54SS*.THydrogen-bonded Turntrans108.9-24.1-174.400000114.5M339M339-G341 PolarHBondContact O-N 3.01Å
342L35.3Very low35.8Very low89 Ų89102.5 Ų102.547%0.46657%0.574SS.*THydrogen-bonded Turntrans-106.2-20.7173.1-62.7174.7000112.5W328 M339 T344W328-L342 HydrophobicContact CZ2-CD1 4Å; M339-L342 HydrophobicContact CB-CB 4.46Å; M339-L342 HydrophobicContact CB-CD1 4.24Å; M339-L342 PolarHBondContact O-N 3.11Å; M339-L342 VanDerWaalsContact O-N 3.09Å; M339-L342 HydrophobicContact SD-CD1 4.39Å; L342-T344 PolarHBondContact O-N 3.21Å
343S27.4Very low34.8Very low50 Ų50103.9 Ų103.935%0.3559%0.586SS.*SBendtrans-61.5127.1172.8-168.70000111.3R337 M339 K345R337-S343 WeakPolarHBondContact O-CA 3.47Å; R337-S343 VanDerWaalsContact O-CB 3.25Å; R337-S343 WeakPolarHBondContact O-CB 3.39Å; R337-S343 PolarHBondContact O-OG 3.49Å; M339-S343 PolarHBondContact O-N 3.17Å; M339-S343 VanDerWaalsContact O-N 3.13Å; S343-K345 PolarHBondContact O-N 2.92Å
344T35.9Very low33.5Very low82 Ų82103.3 Ų103.350%0.50359%0.592SS.*SBendtrans-70.513.6-179.255.60000114.6L342 L346L342-T344 PolarHBondContact O-N 3.21Å; T344-L346 PolarHBondContact O-N 3.45Å
345K25.6Very low32.3Very low173 Ų173111.8 Ų111.875%0.75262%0.616SS**  trans-79.566.8168.8-68.6-170.1-179.5178.60109.8S343 N347S343-K345 PolarHBondContact O-N 2.92Å; K345-N347 PolarHBondContact O-N 2.81Å
346L27.3Very low30.9Very low159 Ų159112 Ų11283%0.83263%0.63SS**  trans-66.192.3158-136.4150.7000105.2T344 H348T344-L346 PolarHBondContact O-N 3.45Å; L346-H348 PolarHBondContact O-N 3.08Å
347N25.5Very low29.7Very low140 Ų140118 Ų11875%0.74967%0.667SS**  trans-59.1107.3173.2-90.3-16.4000106.7K345 N349K345-N347 PolarHBondContact O-N 2.81Å; N347-N349 PolarHBondContact O-N 3.15Å
348H26.3Very low28.5Very low151 Ų151117.2 Ų117.270%0.69969%0.685SS**  trans-50.5104.3162.5-107.3-87.4000107.8L346 D350L346-H348 PolarHBondContact O-N 3.08Å; H348-D350 IonicContact CE1-OD1 2.91Å; H348-D350 IonicContact CG-OD1 3.08Å; H348-D350 IonicContact ND1-OD1 3.79Å; H348-D350 PolarHBondContact ND1-OD1 3.14Å; H348-D350 PolarHBondContact O-N 3.08Å
349N25.7Very low27.3Very low163 Ų163118.4 Ų118.487%0.87269%0.691SS**  trans-7281.3148-84.5-19.6000105.5N347 G351N347-N349 PolarHBondContact O-N 3.15Å; N349-G351 PolarHBondContact O-N 3.21Å
350D26.7Very low26.3Very low121 Ų121122.8 Ų122.865%0.64773%0.725SS**  trans-60.688.9166.1-79.5-31.7000108.4H348 H352H348-D350 IonicContact CE1-OD1 2.91Å; H348-D350 IonicContact CG-OD1 3.08Å; H348-D350 IonicContact ND1-OD1 3.79Å; H348-D350 PolarHBondContact ND1-OD1 3.14Å; H348-D350 PolarHBondContact O-N 3.08Å; D350-H352 PolarHBondContact O-N 3.26Å
351G23.9Very low25.7Very low69 Ų69124.5 Ų124.571%0.71173%0.734SS**  trans-63.686.4153.800000108.1N349 V353N349-G351 PolarHBondContact O-N 3.21Å; G351-V353 PolarHBondContact O-N 2.86Å
352H25.6Very low25.3Very low181 Ų181126.3 Ų126.384%0.83873%0.733SS**  trans-30.897.1168-124.3-74.4000112.7D350D350-H352 PolarHBondContact O-N 3.26Å
353V25.3Very low24.7Very low122 Ų122130.7 Ų130.774%0.73975%0.752SS**  trans-100.399.1153.31780000105.7G351 Y355G351-V353 PolarHBondContact O-N 2.86Å; V353-Y355 HydrophobicContact CG1-CD2 4.01Å; V353-Y355 HydrophobicContact CG1-CE2 4.12Å; V353-Y355 PolarHBondContact O-N 3.48Å
354G21.1Very low24.7Very low54 Ų54139.2 Ų139.256%0.55778%0.778SS**  trans-68.4117.2175.300000110.6
355Y22.6Very low24.1Very low222 Ų222140.8 Ų140.887%0.87179%0.792SS**  trans-139.292.9149.5-79.6-74.9000109V353V353-Y355 HydrophobicContact CG1-CD2 4.01Å; V353-Y355 HydrophobicContact CG1-CE2 4.12Å; V353-Y355 PolarHBondContact O-N 3.48Å
356S19.7Very low24.1Very low124 Ų124137.9 Ų137.987%0.86779%0.789SS**  trans-106.292.2155.7-840000107.9
357V23.8Very low24Very low145 Ų145140.7 Ų140.788%0.87979%0.789SS**  trans-156108.4147.4-178.20000109.2
358G20Very low24.1Very low65 Ų65141.1 Ų141.167%0.6779%0.79SS**  84108129.700000121.4
359N20Very low24.1Very low164 Ų164138.4 Ų138.488%0.87778%0.784SS**  trans62102135.5-68.61.8000121.2
360S23.7Very low24.2Very low123 Ų123136.9 Ų136.986%0.8677%0.769SS**  179.5145.1108.345.90000112
361T23.1Very low24.1Very low139 Ų139135.7 Ų135.785%0.85377%0.771SS**  trans-66.3122.4176.3420000113.3
362S26.9Very low24.3Very low116 Ų116133.2 Ų133.281%0.81174%0.742SS**  trans-150.7113.9135.863.20000108.7Y364S362-Y364 PolarHBondContact O-N 3Å
363E22.9Very low24.4Very low181 Ų181135.4 Ų135.485%0.84674%0.743SS**  trans-72.689.3-179.6-65.5171.5152.400110
364Y26Very low24.6Very low230 Ų230133.5 Ų133.590%0.90273%0.729SS**  trans-139.165.8141.8-85.7-80000106.4S362 T366S362-Y364 PolarHBondContact O-N 3Å; Y364-T366 PolarHBondContact O-N 2.9Å
365S24.9Very low25Very low114 Ų114132.3 Ų132.380%0.79771%0.709SS**  trans-50.8114.1163.1-101.50000107.2R367S365-R367 PolarHBondContact O-N 3.48Å
366T24.3Very low25.5Very low113 Ų113123.4 Ų123.469%0.69368%0.679SS**  trans-34.495.6148.847.20000108.5Y364 L368Y364-T366 PolarHBondContact O-N 2.9Å; T366-L368 PolarHBondContact O-N 3.5Å
367R26.7Very low26.1Very low218 Ų218122.7 Ų122.782%0.82366%0.662SS**  trans-6481.1148.9-91.3-169.4-178.2-148.82104.1S365 V369S365-R367 PolarHBondContact O-N 3.48Å; R367-V369 HydrophobicContact CB-CG2 4.5Å; R367-V369 PolarHBondContact O-N 3.46Å
368L27.7Very low26.8Very low148 Ų148121.4 Ų121.478%0.77565%0.65SS**  trans-57.885.9155.8-82.9148.8000104.3T366 K370T366-L368 PolarHBondContact O-N 3.5Å; L368-K370 PolarHBondContact O-N 2.83Å
369V26.4Very low27.6Very low94 Ų94120.1 Ų120.157%0.5763%0.629SS**  trans-61.8101166.4179.20000103.1R367 S371R367-V369 HydrophobicContact CB-CG2 4.5Å; R367-V369 PolarHBondContact O-N 3.46Å; V369-S371 VanDerWaalsContact C-N 3.27Å; V369-S371 PolarHBondContact O-N 2.97Å; V369-S371 PolarHBondContact O-OG 3.36Å
370K26.4Very low28.3Very low131 Ų131117.2 Ų117.257%0.5762%0.617SS**  trans-52.6100.3166.1-86.8177.1169.1-175.60106.6L368 S372 E377L368-K370 PolarHBondContact O-N 2.83Å; K370-S372 PolarHBondContact O-N 3.36Å; K370-E377 WeakPolarHBondContact CD-OE1 3.5Å; K370-E377 VanDerWaalsContact CD-OE2 3.26Å; K370-E377 WeakPolarHBondContact CD-OE2 3.47Å; K370-E377 IonicContact NZ-OE1 2.79Å; K370-E377 PolarHBondContact NZ-OE1 3.48Å; K370-E377 IonicContact NZ-OE2 3.48Å; K370-E377 PolarHBondContact NZ-OE2 2.92Å
371S24.2Very low28.9Very low97 Ų97114.6 Ų114.668%0.67859%0.593SS**  trans-69.685.4175.8-41.10000107.6V369 W373V369-S371 VanDerWaalsContact C-N 3.27Å; V369-S371 PolarHBondContact O-N 2.97Å; V369-S371 PolarHBondContact O-OG 3.36Å; S371-W373 PolarHBondContact O-N 2.89Å
372S28.3Very low29.3Very low16 Ų16110.6 Ų110.611%0.11257%0.571CS.*  trans-76.7115.1164.3-166.90000106.4K370 L374 I375K370-S372 PolarHBondContact O-N 3.36Å; S372-L374 PolarHBondContact O-N 2.92Å; S372-L374 VanDerWaalsContact O-N 3.12Å; S372-I375 VanDerWaalsContact CB-O 3.25Å; S372-I375 WeakPolarHBondContact CB-O 3.23Å; S372-I375 PolarHBondContact OG-O 3.12Å
373W27.4Very low29.5Very low227 Ų227111 Ų11186%0.8656%0.563SS**SBendtrans-58-25.5-170-7776.9000114.7S371S371-W373 PolarHBondContact O-N 2.89Å
374L29.5Very low29.9Very low82 Ų82105.3 Ų105.343%0.42954%0.538SS..SBendtrans-102.3-40.8-175.1-73.6163.3000113.2S372S372-L374 PolarHBondContact O-N 2.92Å; S372-L374 VanDerWaalsContact O-N 3.12Å
375I31Very low30.3Very low29 Ų29103.4 Ų103.415%0.14953%0.534CS..SBendtrans-157.2126178.8-53.4176.3000107.6R337 S372 T379 L381R337-I375 PolarHBondContact NH2-O 3.22Å; S372-I375 VanDerWaalsContact CB-O 3.25Å; S372-I375 WeakPolarHBondContact CB-O 3.23Å; S372-I375 PolarHBondContact OG-O 3.12Å; I375-T379 HydrophobicContact CG2-CG2 4.44Å; I375-T379 VanDerWaalsContact CG2-OG1 3.25Å; I375-T379 WeakPolarHBondContact CG2-OG1 3.26Å; I375-L381 HydrophobicContact CD1-CD2 4.25Å
376P32.4Very low30.9Very low36 Ų36105 Ų10523%0.23453%0.534CS..  trans-55.4145.8176.9-19.827.7000112.3N378 T379 L400P376-N378 PolarHBondContact O-N 3.31Å; P376-T379 PolarHBondContact O-N 3.24Å; P376-T379 PolarHBondContact O-OG1 2.82Å; P376-L400 HydrophobicContact CG-CD2 3.74Å
377E33.5Very low31.3Very low109 Ų109106.5 Ų106.551%0.50954%0.535SS..THydrogen-bonded Turntrans-57-17.3179.8-71.6-170.4173.300113K370K370-E377 WeakPolarHBondContact CD-OE1 3.5Å; K370-E377 VanDerWaalsContact CD-OE2 3.26Å; K370-E377 WeakPolarHBondContact CD-OE2 3.47Å; K370-E377 IonicContact NZ-OE1 2.79Å; K370-E377 PolarHBondContact NZ-OE1 3.48Å; K370-E377 IonicContact NZ-OE2 3.48Å; K370-E377 PolarHBondContact NZ-OE2 2.92Å
378N36.7Very low31.4Very low118 Ų118101.4 Ų101.463%0.63153%0.533SS*.THydrogen-bonded Turntrans-90.20.3-172.7-28.118.8000113.7P376P376-N378 PolarHBondContact O-N 3.31Å
379T38Very low31.5Very low37 Ų3797.9 Ų97.923%0.22752%0.518CS..  trans-93.9107.1-172.3-14.40000110.2I375 P376 L381 I392I375-T379 HydrophobicContact CG2-CG2 4.44Å; I375-T379 VanDerWaalsContact CG2-OG1 3.25Å; I375-T379 WeakPolarHBondContact CG2-OG1 3.26Å; P376-T379 PolarHBondContact O-N 3.24Å; P376-T379 PolarHBondContact O-OG1 2.82Å; T379-L381 PolarHBondContact O-N 3.47Å; T379-I392 HydrophobicContact CG2-CG2 3.73Å
380T35.1Very low31.5Very low104 Ų10497.6 Ų97.664%0.63851%0.512SS*.PPolyproline II helixtrans-70.4118.7168.618.90000109.5
381L35.6Very low31.8Very low68 Ų6892.9 Ų92.936%0.35650%0.496SS..EExtended strand (participates in β ladder)trans-82.9128.7174.8-64.3159.2000109I375 T379 L390 I392I375-L381 HydrophobicContact CD1-CD2 4.25Å; T379-L381 PolarHBondContact O-N 3.47Å; L381-L390 HydrophobicContact CB-CD2 3.57Å; L381-L390 HydrophobicContact CD1-CD2 4.17Å; L381-L390 HydrophobicContact CD2-CB 4.41Å; L381-L390 HydrophobicContact CG-CD2 4.36Å; L381-I392 HydrophobicContact CD2-CG1 3.97Å
382S31Very low32.5Very low55 Ų5590.8 Ų90.839%0.38548%0.476SS..EExtended strand (participates in β ladder)trans-100.1136.617267.40000109.3N384 C391S382-N384 PolarHBondContact O-N 2.75Å; S382-C391 PolarHBondContact N-O 3.48Å; S382-C391 PolarHBondContact O-N 2.79Å; S382-C391 PolarHBondContact OG-O 3.32Å
383I32.1Very low32.8Very low124 Ų12493.9 Ų93.964%0.63649%0.492SS*.EExtended strand (participates in β ladder)trans-83.2115.3176.3-63168.5000107.7K385 L390I383-K385 PolarHBondContact O-N 2.9Å; I383-L390 HydrophobicContact CG1-CD2 4.09Å
384N30.1Very low33.4Very low62 Ų6287.1 Ų87.133%0.33248%0.479SS..EExtended strand (participates in β ladder)trans-76.9103.9169.5-173.5-16.4000108.9S382 N386 M387 S388 T389 C391S382-N384 PolarHBondContact O-N 2.75Å; N384-N386 PolarHBondContact O-N 2.81Å; N384-N386 VanDerWaalsContact O-N 3.08Å; N384-N386 WeakPolarHBondContact OD1-CB 3.25Å; N384-N386 PolarHBondContact OD1-N 2.96Å; N384-N386 VanDerWaalsContact OD1-N 3.08Å; N384-M387 PolarHBondContact O-N 3.26Å; N384-S388 PolarHBondContact O-N 3.41Å; N384-T389 PolarHBondContact N-O 3.33Å; N384-T389 VanDerWaalsContact N-O 3.15Å; N384-C391 VanDerWaalsContact CB-SG 3.6Å
385K34.9Very low33.8Very low189 Ų18987.3 Ų87.382%0.82249%0.487SS*.THydrogen-bonded Turntrans-59.8-19-178.6-70.7-175.4178.8178.60113.9I383I383-K385 PolarHBondContact O-N 2.9Å
386N36.8Very low34.2Very low149 Ų14993.6 Ų93.680%0.79751%0.513SS*.THydrogen-bonded Turntrans-81.3-25.6-178.5-65.5-0.9000113N384N384-N386 PolarHBondContact O-N 2.81Å; N384-N386 VanDerWaalsContact O-N 3.08Å; N384-N386 WeakPolarHBondContact OD1-CB 3.25Å; N384-N386 PolarHBondContact OD1-N 2.96Å; N384-N386 VanDerWaalsContact OD1-N 3.08Å
387M32.6Very low34.7Very low143 Ų14393.2 Ų93.270%0.70451%0.509SS*.THydrogen-bonded Turntrans-120.3-4.9-175.4-72.1-79.6-171.900112.9N384 T389N384-M387 PolarHBondContact O-N 3.26Å; M387-T389 HydrophobicContact CB-CG2 4.48Å; M387-T389 PolarHBondContact O-N 2.98Å; M387-T389 VanDerWaalsContact O-N 3.11Å
388S29.9Very low34.8Very low111 Ų11194.8 Ų94.878%0.77652%0.521SS*.THydrogen-bonded Turntrans51.529.3-172.9-62.70000113.5N384N384-S388 PolarHBondContact O-N 3.41Å
389T29.7Very low34.8Very low74 Ų7496.7 Ų96.745%0.45453%0.531SS..EExtended strand (participates in β ladder)trans-113.9144.8176.355.10000110.7N384 M387 C391N384-T389 PolarHBondContact N-O 3.33Å; N384-T389 VanDerWaalsContact N-O 3.15Å; M387-T389 HydrophobicContact CB-CG2 4.48Å; M387-T389 PolarHBondContact O-N 2.98Å; M387-T389 VanDerWaalsContact O-N 3.11Å; T389-C391 PolarHBondContact O-N 3.23Å
390L26.4Very low34.9Very low88 Ų8898.3 Ų98.346%0.46154%0.538SS..EExtended strand (participates in β ladder)trans-71.8120.9173.6-76.1148.5000109.7L381 I383L381-L390 HydrophobicContact CB-CD2 3.57Å; L381-L390 HydrophobicContact CD1-CD2 4.17Å; L381-L390 HydrophobicContact CD2-CB 4.41Å; L381-L390 HydrophobicContact CG-CD2 4.36Å; I383-L390 HydrophobicContact CG1-CD2 4.09Å
391C33Very low34.9Very low33 Ų3397 Ų9722%0.22353%0.53CS..EExtended strand (participates in β ladder)trans-107.9134.4176.1-64.80000110.4S382 N384 T389S382-C391 PolarHBondContact N-O 3.48Å; S382-C391 PolarHBondContact O-N 2.79Å; S382-C391 PolarHBondContact OG-O 3.32Å; N384-C391 VanDerWaalsContact CB-SG 3.6Å; T389-C391 PolarHBondContact O-N 3.23Å
392I38.4Very low34.8Very low52 Ų52102.9 Ų102.927%0.26755%0.553SS.*EExtended strand (participates in β ladder)trans-75.4127.4171.5-61.8170.7000108.1T379 L381 S394 I397 F411T379-I392 HydrophobicContact CG2-CG2 3.73Å; L381-I392 HydrophobicContact CD2-CG1 3.97Å; I392-S394 PolarHBondContact O-N 2.88Å; I392-S394 VanDerWaalsContact O-N 3.14Å; I392-I397 HydrophobicContact CG2-CD1 4.4Å; I392-F411 HydrophobicContact CD1-CD1 4.12Å
393D34.6Very low35Very low82 Ų82107.8 Ų107.844%0.43958%0.575SS.*  trans-68.5109.6175.7-162.7-22.1000109.6S395D393-S395 PolarHBondContact O-N 3.49Å; D393-S395 PolarHBondContact OD1-OG 3.42Å
394S40.6Very low34.8Very low85 Ų85103.9 Ų103.959%0.59456%0.558SS**G310 helixtrans-69.5-15-170.854.70000114I392 K396 I397I392-S394 PolarHBondContact O-N 2.88Å; I392-S394 VanDerWaalsContact O-N 3.14Å; S394-K396 PolarHBondContact O-N 2.97Å; S394-K396 VanDerWaalsContact O-N 3.09Å; S394-I397 PolarHBondContact O-N 2.85Å
395S37.1Very low34.8Very low85 Ų85108 Ų10859%0.59458%0.579SS**G310 helixtrans-64.3-13.7-177.360.10000114.8D393D393-S395 PolarHBondContact O-N 3.49Å; D393-S395 PolarHBondContact OD1-OG 3.42Å
396K39Very low34.5Very low161 Ų161104.3 Ų104.370%0.756%0.564SS**G310 helixtrans-112.710.3178-70.1-175.9179.4175.80114.7S394 N398S394-K396 PolarHBondContact O-N 2.97Å; S394-K396 VanDerWaalsContact O-N 3.09Å; K396-N398 VanDerWaalsContact C-N 3.32Å; K396-N398 PolarHBondContact O-N 3.28Å
397I43.6Very low34.1Very low29 Ų29102.7 Ų102.715%0.14955%0.554CS.*G310 helixtrans-76.3-11.3-174.2-65.9179.2000113.9I392 S394 D399 L400I392-I397 HydrophobicContact CG2-CD1 4.4Å; S394-I397 PolarHBondContact O-N 2.85Å; I397-D399 PolarHBondContact O-N 2.82Å; I397-L400 PolarHBondContact O-N 3.37Å
398N36.1Very low34.1Very low141 Ų141101.3 Ų101.375%0.75455%0.546SS*.G310 helixtrans-57.3-23.2-171.4-70.3-7.2000115.6K396K396-N398 VanDerWaalsContact C-N 3.32Å; K396-N398 PolarHBondContact O-N 3.28Å
399D36.2Very low34.3Very low159 Ų159100 Ų10085%0.8553%0.528SS*.G310 helixtrans-95.6-4178.6-71.1-27.3000114.6I397I397-D399 PolarHBondContact O-N 2.82Å
400L39.1Very low34.5Very low70 Ų70100.5 Ų100.537%0.36653%0.527SS..THydrogen-bonded Turntrans-93.4-18-173.2-89.5136.5000115P376 I397 K402P376-L400 HydrophobicContact CG-CD2 3.74Å; I397-L400 PolarHBondContact O-N 3.37Å; L400-K402 PolarHBondContact O-N 2.75Å; L400-K402 VanDerWaalsContact O-N 3.16Å
401T35.5Very low34.9Very low77 Ų7799.8 Ų99.847%0.47252%0.52SS..THydrogen-bonded Turntrans-71.9-8.6-172.749.40000114.9E408T401-E408 HydrophobicContact CG2-CG 4.43Å; T401-E408 WeakPolarHBondContact CG2-OE1 3.36Å
402K34.9Very low34.8Very low192 Ų192103.6 Ų103.684%0.83553%0.534SS*.THydrogen-bonded Turntrans-91.2-25.5-178.3-73.8-176179.1175.50115.2L400L400-K402 PolarHBondContact O-N 2.75Å; L400-K402 VanDerWaalsContact O-N 3.16Å
403N35.1Very low34.4Very low158 Ų158106.7 Ų106.785%0.84556%0.56SS**THydrogen-bonded Turntrans-127.28.5-171.2-66.50.4000114.1
404S26.8Very low34.2Very low41 Ų41105.6 Ų105.629%0.28757%0.568SS.*  trans-90.4117.7171.5165.70000109.6F406 F411S404-F406 PolarHBondContact O-N 3.46Å; S404-F406 PolarHBondContact OG-N 3.18Å; S404-F406 VanDerWaalsContact OG-N 3.16Å; S404-F406 PolarHBondContact OG-O 2.88Å; S404-F411 WeakPolarHBondContact OG-CE2 3.42Å
405L31Very low33.8Very low148 Ų148107.7 Ų107.778%0.77558%0.58SS**SBendtrans-67.1-8169.7-85.2164.6000113.1
406F27.1Very low33.7Very low112 Ų112109.9 Ų109.949%0.49158%0.584SS.*SBendtrans-91.6122.2174.2-65-68.3000110S404 I410 F411S404-F406 PolarHBondContact O-N 3.46Å; S404-F406 PolarHBondContact OG-N 3.18Å; S404-F406 VanDerWaalsContact OG-N 3.16Å; S404-F406 PolarHBondContact OG-O 2.88Å; F406-I410 HydrophobicContact CB-CD1 3.81Å; F406-I410 HydrophobicContact CD1-CD1 3.55Å; F406-I410 HydrophobicContact CG-CD1 4.07Å; F406-F411 HydrophobicContact CB-CE2 4.08Å; F406-F411 HydrophobicContact CB-CZ 4.34Å
407L29.4Very low33.3Very low116 Ų116106.5 Ų106.561%0.60757%0.573SS**  trans-55.9141.8174.2-82.787.4000110H409 I410L407-H409 WeakPolarHBondContact CB-CE1 3.26Å; L407-H409 WeakPolarHBondContact CB-ND1 3.42Å; L407-H409 PolarHBondContact O-N 2.71Å; L407-I410 PolarHBondContact O-N 3.35Å
408E32.6Very low32.6Very low114 Ų114110.2 Ų110.253%0.53359%0.593SS.*G310 helixtrans-43.6-29.7-175.6-142.8167.8-162.500114.7T401 I410 F411 H412T401-E408 HydrophobicContact CG2-CG 4.43Å; T401-E408 WeakPolarHBondContact CG2-OE1 3.36Å; E408-I410 VanDerWaalsContact C-N 3.3Å; E408-I410 PolarHBondContact O-N 3.22Å; E408-F411 PolarHBondContact O-N 2.78Å; E408-F411 VanDerWaalsContact O-N 3.17Å; E408-H412 PolarHBondContact O-ND1 2.93Å
409H34.5Very low32.4Very low83 Ų83106.9 Ų106.938%0.38458%0.581SS.*G310 helixtrans-71.5-14.3-179.359.5-100.2000115.1L407 F411L407-H409 WeakPolarHBondContact CB-CE1 3.26Å; L407-H409 WeakPolarHBondContact CB-ND1 3.42Å; L407-H409 PolarHBondContact O-N 2.71Å; H409-F411 VanDerWaalsContact C-N 3.31Å
410I34.2Very low32.1Very low84 Ų84108.1 Ų108.143%0.43157%0.573SS.*G310 helixtrans-74.4-28.2171.6-65.8166.5000110.5F406 L407 E408F406-I410 HydrophobicContact CB-CD1 3.81Å; F406-I410 HydrophobicContact CD1-CD1 3.55Å; F406-I410 HydrophobicContact CG-CD1 4.07Å; L407-I410 PolarHBondContact O-N 3.35Å; E408-I410 VanDerWaalsContact C-N 3.3Å; E408-I410 PolarHBondContact O-N 3.22Å
411F34.6Very low31.7Very low74 Ų74112.2 Ų112.233%0.32558%0.584SS.*SBendtrans-88.1-6.5177.8-58.1-75000113.1I392 S404 F406 E408 H409I392-F411 HydrophobicContact CD1-CD1 4.12Å; S404-F411 WeakPolarHBondContact OG-CE2 3.42Å; F406-F411 HydrophobicContact CB-CE2 4.08Å; F406-F411 HydrophobicContact CB-CZ 4.34Å; E408-F411 PolarHBondContact O-N 2.78Å; E408-F411 VanDerWaalsContact O-N 3.17Å; H409-F411 VanDerWaalsContact C-N 3.31Å
412H31.1Very low31.6Very low113 Ų113113.9 Ų113.952%0.52359%0.59SS.*SBendtrans-91.4107.3175.5-68.94.6000109.4E408 G414E408-H412 PolarHBondContact O-ND1 2.93Å; H412-G414 PolarHBondContact O-N 2.78Å
413S30.2Very low31.4Very low116 Ų116114.3 Ų114.381%0.81159%0.586SS**SBendtrans-16.1110.5171.155.20000115.9
414G30.3Very low31.3Very low59 Ų59112.2 Ų112.261%0.60857%0.571SS**SBendtrans151.3156.3165.900000113.5H412 I416H412-G414 PolarHBondContact O-N 2.78Å; G414-I416 PolarHBondContact O-N 2.77Å
415P31.2Very low31.4Very low130 Ų130114.2 Ų114.284%0.84459%0.585SS**  trans-58136.2175.123.7-31.7000110.5D417P415-D417 PolarHBondContact O-N 2.97Å
416I34.7Very low31.5Very low130 Ų130114.8 Ų114.867%0.66759%0.588SS**  trans-60.7101.5179.7-62.4167.2000108.7G414 L418G414-I416 PolarHBondContact O-N 2.77Å; I416-L418 HydrophobicContact CG2-CD2 4.28Å; I416-L418 HydrophobicContact CG2-CG 4.45Å; I416-L418 PolarHBondContact O-N 3.29Å
417D30.7Very low31.5Very low90 Ų90113.8 Ų113.848%0.48160%0.595SS.*  trans-76.992.2171.1-174.34.7000108.9P415 S419 R420 W421P415-D417 PolarHBondContact O-N 2.97Å; D417-S419 PolarHBondContact O-N 3.42Å; D417-S419 WeakPolarHBondContact OD1-CB 3.39Å; D417-S419 PolarHBondContact OD1-N 3.36Å; D417-S419 VanDerWaalsContact OD1-N 3.12Å; D417-S419 PolarHBondContact OD1-OG 3.49Å; D417-R420 HydrophobicContact CB-CB 4.34Å; D417-R420 WeakPolarHBondContact O-CB 3.16Å; D417-R420 PolarHBondContact O-N 3.33Å; D417-W421 PolarHBondContact O-N 3.14Å
418L29.6Very low31.4Very low108 Ų108113.2 Ų113.257%0.56560%0.601SS**Hα-helixtrans-52.8-26.9176.5-71.4167.2000112.4I416 R420 W421 L422I416-L418 HydrophobicContact CG2-CD2 4.28Å; I416-L418 HydrophobicContact CG2-CG 4.45Å; I416-L418 PolarHBondContact O-N 3.29Å; L418-R420 VanDerWaalsContact C-N 3.27Å; L418-R420 PolarHBondContact O-N 2.93Å; L418-W421 PolarHBondContact O-N 3.42Å; L418-L422 PolarHBondContact O-N 2.9Å
419S31.2Very low31.1Very low70 Ų70113.3 Ų113.349%0.4961%0.614SS.*Hα-helixtrans-62.2-36.1175.2-29.20000111.8D417 R423D417-S419 PolarHBondContact O-N 3.42Å; D417-S419 WeakPolarHBondContact OD1-CB 3.39Å; D417-S419 PolarHBondContact OD1-N 3.36Å; D417-S419 VanDerWaalsContact OD1-N 3.12Å; D417-S419 PolarHBondContact OD1-OG 3.49Å; S419-R423 VanDerWaalsContact O-CG 3.29Å; S419-R423 WeakPolarHBondContact O-CG 3.39Å; S419-R423 PolarHBondContact O-N 3.46Å
420R30.2Very low30.7Very low185 Ų185114.7 Ų114.770%0.69863%0.633SS**Hα-helixtrans-76.9-37.6178.9-146.8178.2-168.2-162.43.1111.2D417 L418 R423 Q424D417-R420 HydrophobicContact CB-CB 4.34Å; D417-R420 WeakPolarHBondContact O-CB 3.16Å; D417-R420 PolarHBondContact O-N 3.33Å; L418-R420 VanDerWaalsContact C-N 3.27Å; L418-R420 PolarHBondContact O-N 2.93Å; R420-R423 PolarHBondContact O-N 3.17Å; R420-Q424 PolarHBondContact O-N 2.94Å
421W30.2Very low30.3Very low157 Ų157116.1 Ų116.160%0.59565%0.65SS**Hα-helixtrans-62.7-45175.5-172.973.4000112.2D417 L418 R423 Q424D417-W421 PolarHBondContact O-N 3.14Å; L418-W421 PolarHBondContact O-N 3.42Å; W421-R423 VanDerWaalsContact C-N 3.31Å; W421-R423 PolarHBondContact O-N 2.92Å; W421-Q424 PolarHBondContact O-N 2.7Å
422L33.1Very low29.8Very low112 Ų112118.1 Ų118.159%0.58667%0.673SS**Hα-helixtrans-69.4-25.7177.3-71.8171.2000113.6L418 S425L418-L422 PolarHBondContact O-N 2.9Å; L422-S425 PolarHBondContact O-OG 2.81Å
423R31.4Very low29.4Very low201 Ų201117.7 Ų117.776%0.75868%0.683SS**Hα-helixtrans-79-29.5177.5-79.2176.4177.7-110.72113.2S419 R420 W421 S427S419-R423 VanDerWaalsContact O-CG 3.29Å; S419-R423 WeakPolarHBondContact O-CG 3.39Å; S419-R423 PolarHBondContact O-N 3.46Å; R420-R423 PolarHBondContact O-N 3.17Å; W421-R423 VanDerWaalsContact C-N 3.31Å; W421-R423 PolarHBondContact O-N 2.92Å; R423-S427 PolarHBondContact O-OG 3.29Å
424Q32.1Very low29.3Very low113 Ų113117.6 Ų117.653%0.52868%0.68SS.*Hα-helixtrans-87.1-13.6-172.6-152.715024.400113.8R420 W421 L426 S427R420-Q424 PolarHBondContact O-N 2.94Å; W421-Q424 PolarHBondContact O-N 2.7Å; Q424-L426 PolarHBondContact O-N 2.98Å; Q424-S427 PolarHBondContact O-N 3.08Å
425S30.7Very low29.2Very low84 Ų84120.3 Ų120.359%0.58769%0.687SS**THydrogen-bonded Turntrans-70.8-5.7172.957.50000114.5L422L422-S425 PolarHBondContact O-OG 2.81Å
426L31.5Very low29.4Very low160 Ų160119.5 Ų119.584%0.83868%0.682SS**THydrogen-bonded Turntrans-116.98.9174.8-84.1108.8000115Q424Q424-L426 PolarHBondContact O-N 2.98Å
427S29Very low28.9Very low90 Ų90119.1 Ų119.163%0.62969%0.687SS**  trans-134.835.5-178.436.40000114.3R423 Q424R423-S427 PolarHBondContact O-OG 3.29Å; Q424-S427 PolarHBondContact O-N 3.08Å
428S26.8Very low28.6Very low105 Ų105119.9 Ų119.973%0.73470%0.697SS**  trans-111.555.9168.952.30000112.3
429S26.2Very low28.3Very low115 Ų115123.6 Ų123.680%0.80471%0.712SS**SBendtrans-15853.7160.168.80000113.6
430S25.4Very low27.8Very low112 Ų112124.4 Ų124.478%0.78372%0.718SS**SBendtrans-174.2112.2149.653.40000111.3
431S26.1Very low27.3Very low115 Ų115121.3 Ų121.380%0.80472%0.72SS**  trans139.8100.7132.473.90000112.1
432S23.1Very low26.9Very low115 Ų115119.8 Ų119.880%0.80472%0.723SS**  trans-72.2117.2150.1480000109.1
433S24.1Very low26.4Very low104 Ų104120.4 Ų120.473%0.72773%0.727SS**  trans78.1154.515574.70000119.4
434P28Very low25.9Very low114 Ų114117.5 Ų117.574%0.7473%0.726SS**  cis-132.2172.5-9.228.1-5.2000115
435P28.7Very low25.5Very low117 Ų117116.9 Ų116.976%0.7674%0.735SS**  trans-88.2-175.8169.241.2-35.5000110.5
436P35.3Very low25.1Very low113 Ų113117.4 Ų117.473%0.73474%0.738SS**  cis-131.2-152.8-0.547.2-27000110.1
437P22.6Very low24.7Very low121 Ų121116.6 Ų116.679%0.78674%0.735SS**  cis-132166.139.736.6-16.1000116.2
438P25.4Very low24.3Very low107 Ų107119.6 Ų119.670%0.69574%0.743SS**  trans-96.4144.5174.536.7-28.8000111.7
439Q23.3Very low24.2Very low185 Ų185119.7 Ų119.786%0.86474%0.743SS**  trans-177.9107.8155-105.2162.619.900108.7
440S20.6Very low24Very low88 Ų88120.1 Ų120.162%0.61574%0.741SS**  79.296.695.273.60000111.5
441T19.9Very low24.1Very low120 Ų120123.9 Ų123.974%0.73675%0.746SS**  92.8138.197.241.90000113.7
442D21.9Very low24Very low125 Ų125126.5 Ų126.567%0.66875%0.746SS**  trans100.9100.5152.4-59.1-27.5000119.8
443N21.6Very low23.9Very low125 Ų125127.3 Ų127.367%0.66874%0.741SS**  78.8113.5110.1-62.9-25.5000120
444N21.4Very low23.9Very low140 Ų140131.6 Ų131.675%0.74975%0.75SS**  71.2123.7117.7-74.8-12.4000120.8
445S22.9Very low23.7Very low100 Ų100131 Ų13170%0.69975%0.748SS**  93.2114.2126.2-63.50000120.1
446S22.5Very low23.5Very low94 Ų94133.4 Ų133.466%0.65775%0.753SS**  99.5131.211372.40000120.8
447N24.4Very low23Very low144 Ų144135.3 Ų135.377%0.7776%0.757SS**  trans84.6120144.2-60.2-18.6000118.7
448L20.8Very low23.1Very low152 Ų152139 Ų13980%0.79676%0.764SS**  92.7120.959.4-153.6100.6000111.5
449S24.6Very low22.9Very low107 Ų107141.2 Ų141.275%0.74877%0.765SS**  trans164102144.6-69.80000109.8
450T22Very low23Very low124 Ų124141.7 Ų141.776%0.76177%0.77SS**  54.4119.987.849.20000118.1
451E27.7Very low23.2Very low191 Ų191143.4 Ų143.489%0.89377%0.772SS**  trans174.9104139-97.4171.1-168.300108.9
452Q22.4Very low23.4Very low170 Ų170143 Ų14379%0.79477%0.774SS**  74.710979.3-84.5-162.3-12.400118.2
453N22.3Very low23.5Very low132 Ų132143 Ų14371%0.70678%0.779SS**  56.6126.5130-57.1-28.1000122.3
454Q24.1Very low23.6Very low194 Ų194142.9 Ų142.991%0.90778%0.783SS**  179.8142.3101.1-94.2177.519.600113.3
455S22.9Very low23.6Very low101 Ų101141.2 Ų141.271%0.70678%0.782SS**  trans-88.8159.5-178.544.10000114.2
456I25.9Very low23.6Very low169 Ų169145.9 Ų145.987%0.86779%0.793SS**  trans-158.9129.5138.9-87.5137.5000108.9
457N24Very low23.6Very low153 Ų153147.8 Ų147.882%0.81880%0.8SS**  trans-88.3149.5171.2-69.5-30.1000110.3
458E24.2Very low23.6Very low198 Ų198149.4 Ų149.493%0.92581%0.809SS**  trans-143.7133.6142.2-79.3-162.216100111
459E21.9Very low23.6Very low154 Ų154151 Ų15172%0.7281%0.813SS**  trans-111134-174.1-179.2-173.3173.500107.9N461E459-N461 PolarHBondContact OE1-ND2 3.22Å; E459-N461 VanDerWaalsContact OE1-ND2 3.1Å
460M24.9Very low23.6Very low194 Ų194153.8 Ų153.896%0.95682%0.817SS**  trans-139110.4165.5-85.8-72.5-16200109.4
461N24.6Very low23.6Very low124 Ų124154.1 Ų154.166%0.66382%0.819SS**  trans-82.4150.2173.9-77.2-49.8000111.6E459E459-N461 PolarHBondContact OE1-ND2 3.22Å; E459-N461 VanDerWaalsContact OE1-ND2 3.1Å
462S25.4Very low23.3Very low113 Ų113150.2 Ų150.279%0.7981%0.808SS**  trans-176.8107.8136.6-790000114.6
463T23.7Very low23.1Very low124 Ų124151 Ų15176%0.76181%0.814SS**  63.7103.3123-16.90000124.4
464T23Very low23Very low123 Ų123151.3 Ų151.376%0.75582%0.816SS**  25.2129.7120.7-27.90000122.6
465S21.5Very low23Very low104 Ų104148.1 Ų148.173%0.72781%0.812SS**  161.8146.2111.5-67.40000116.7
466Q23.3Very low22.9Very low199 Ų199149.7 Ų149.793%0.9381%0.812SS**  trans106.3108.9153.7-69.6-177.24.700121.2
467T21.5Very low22.8Very low133 Ų133151.8 Ų151.882%0.81681%0.814SS**  trans-85.3146.7168.735.10000112.4
468N25.2Very low22.6Very low178 Ų178150.7 Ų150.795%0.95281%0.808SS**  trans-131.7130.2162-86.4-27.3000109.5
469E20.3Very low22.5Very low187 Ų187148 Ų14887%0.87480%0.799SS**  trans-127.9124.2-169.3-175.7-178.4-138.300107.7
470I25.7Very low22.5Very low165 Ų165148.7 Ų148.785%0.84680%0.802SS**  trans-143.9102.1169.8-57.8-179000111.3
471T22Very low22.6Very low130 Ų130144.9 Ų144.980%0.79880%0.795SS**  trans33.4124.2132.6-35.90000124.1
472T20.7Very low22.5Very low109 Ų109143.8 Ų143.867%0.66980%0.797SS**  trans-67.1146.4167.2-40.90000115.7
473M18.7Very low22.5Very low186 Ų186146.4 Ų146.492%0.91680%0.802SS**  trans-134.2106.1156.6-82.5-74-84.600110.1
474N20.8Very low22.6Very low139 Ų139146.6 Ų146.674%0.74380%0.803SS**  trans-102.2130170.4-96.3-18.5000109.6
475P22.6Very low22.6Very low127 Ų127148.7 Ų148.783%0.82581%0.808SS**  trans-101.1110163.331.7-22.4000110.9
476I22.3Very low22.8Very low135 Ų135149.2 Ų149.269%0.69281%0.807SS**  trans-95.9121.9162.4-63.2171000107.1N478I476-N478 WeakPolarHBondContact CG2-OD1 3.39Å
477K22.8Very low22.8Very low213 Ų213148.4 Ų148.493%0.92680%0.803SS**  trans-120.8114.6158.3-97.8-174.7175.5-1770108.3
478N19.5Very low22.9Very low129 Ų129151.9 Ų151.969%0.6980%0.803SS**  trans-86.8170.4175.6-72.1-29000111.7I476I476-N478 WeakPolarHBondContact CG2-OD1 3.39Å
479I22Very low22.9Very low142 Ų142149.5 Ų149.573%0.72880%0.799SS**  trans86.3124.4156.7-57.2137.1000112.4
480E23.3Very low23.2Very low169 Ų169145.6 Ų145.679%0.7979%0.79SS**  -165.7142.554.8-146145.9-142.800113.6
481S26.7Very low23.2Very low114 Ų114147.7 Ų147.780%0.79779%0.793SS**  trans64.9130.2142.954.50000123.3
482S22.8Very low23.6Very low101 Ų101151.6 Ų151.671%0.70680%0.799SS**  trans-81.8133.517846.40000114.4
483D24.2Very low23.9Very low168 Ų168149.4 Ų149.490%0.89880%0.798SS**  trans-113.8102155.2-84.4-34.1000109.8L485D483-L485 PolarHBondContact O-N 2.97Å
484T25.3Very low24.3Very low127 Ų127147.7 Ų147.778%0.77979%0.791SS**  trans-82.195.3168.143.10000109.2V486T484-V486 PolarHBondContact O-N 2.89Å
485L23.8Very low24.9Very low167 Ų167146 Ų14687%0.87479%0.789SS**  trans-75104.5165.4-107.4158.2000108.9D483 E487D483-L485 PolarHBondContact O-N 2.97Å; L485-E487 PolarHBondContact O-N 3Å
486V24.6Very low25Very low115 Ų115148.8 Ų148.870%0.69779%0.791SS**  trans-76.791.9169.2178.20000107.1T484 Y488T484-V486 PolarHBondContact O-N 2.89Å; V486-Y488 PolarHBondContact O-N 2.91Å
487E23.9Very low25.3Very low183 Ų183145.1 Ų145.186%0.85579%0.787SS**  trans-77.7107.1175-159.6171.9-170.300109.3L485 C489L485-E487 PolarHBondContact O-N 3Å; E487-C489 PolarHBondContact O-N 3.21Å
488Y24Very low25.3Very low206 Ų206137.9 Ų137.981%0.80877%0.773SS**  trans-59.5119.1171.2-95.9-102.8000109.8V486 P490V486-Y488 PolarHBondContact O-N 2.91Å; Y488-P490 WeakPolarHBondContact O-CD 3.09Å
489C25.4Very low26.1Very low127 Ų127138.8 Ų138.886%0.85879%0.785SS**  trans-68.1111.7162.2-93.70000109.1E487E487-C489 PolarHBondContact O-N 3.21Å
490P25.5Very low26.5Very low106 Ų106136 Ų13669%0.68879%0.792SS**  trans-75.1139.6174.7-4.423.9000109.1Y488 F492Y488-P490 WeakPolarHBondContact O-CD 3.09Å; P490-F492 PolarHBondContact O-N 3.09Å; P490-F492 VanDerWaalsContact O-N 3.1Å
491K25.8Very low26.7Very low209 Ų209129.7 Ų129.791%0.90977%0.773SS**  trans-36.3108.2171.4-70.9168.5171.51750113.6
492F31.6Very low27.1Very low211 Ų211130.4 Ų130.493%0.92577%0.774SS**  trans-112111137.5-67.1-85.9000104.5P490P490-F492 PolarHBondContact O-N 3.09Å; P490-F492 VanDerWaalsContact O-N 3.1Å
493G26.3Very low27.5Very low63 Ų63131.8 Ų131.865%0.64978%0.779SS**  cis10869.935.900000108.4
494I28.1Very low27.9Very low150 Ų150128.2 Ų128.277%0.76977%0.766SS**  trans39.790154.6-41.4172.3000115.9Q496I494-Q496 HydrophobicContact CG2-CG 4.16Å; I494-Q496 PolarHBondContact O-N 3.13Å; I494-Q496 VanDerWaalsContact O-N 3.08Å
495C32.2Very low28.2Very low105 Ų105128 Ų12871%0.70977%0.768SS**  trans-72.197.2163.8-65.50000110
496Q25.8Very low28.3Very low184 Ų184123.4 Ų123.486%0.8676%0.762SS**  trans-95.6114.4157.3-77-172.8-0.300108I494I494-Q496 HydrophobicContact CG2-CG 4.16Å; I494-Q496 PolarHBondContact O-N 3.13Å; I494-Q496 VanDerWaalsContact O-N 3.08Å
497G27.8Very low28.3Very low59 Ų59121.1 Ų121.161%0.60876%0.761SS**  trans-175.175.7179.300000115.4
498G23.1Very low28.3Very low61 Ų61118.5 Ų118.563%0.62976%0.762SS**  trans60.6153.2142.400000120.7G500 G501G498-G500 PolarHBondContact O-N 3.41Å; G498-G501 PolarHBondContact O-N 3.42Å; G498-G501 VanDerWaalsContact O-N 3.16Å
499P36.3Very low28.4Very low147 Ų147114.3 Ų114.396%0.95576%0.762SS**THydrogen-bonded Turntrans-70.5100.6177.630.5-30.9000109
500G30.9Very low28.3Very low85 Ų85116.3 Ų116.388%0.87676%0.763SS**THydrogen-bonded Turntrans125.9-5.8-177.400000114.9G498G498-G500 PolarHBondContact O-N 3.41Å
501G26.9Very low28.3Very low36 Ų36116.2 Ų116.237%0.37177%0.766SS.*SBendtrans-81.8150.8167.500000111.7G498 T503G498-G501 PolarHBondContact O-N 3.42Å; G498-G501 VanDerWaalsContact O-N 3.16Å; G501-T503 PolarHBondContact O-N 3.24Å; G501-T503 VanDerWaalsContact O-N 3.1Å
502P34Very low28.2Very low129 Ų129115.3 Ų115.384%0.83877%0.767SS**  trans-59.7119.5-175.524-32.3000110.5C504P502-C504 PolarHBondContact O-N 3.3Å
503T32.3Very low27.9Very low129 Ų129114.6 Ų114.679%0.79176%0.763SS**  trans-55.8109.7165.814.10000108.2G501 C505G501-T503 PolarHBondContact O-N 3.24Å; G501-T503 VanDerWaalsContact O-N 3.1Å; T503-C505 PolarHBondContact O-N 3.21Å
504C31.9Very low27.7Very low94 Ų94120.1 Ų120.164%0.63577%0.77SS**  trans-67.381.8167.735.70000109.4P502 G506P502-C504 PolarHBondContact O-N 3.3Å; C504-G506 PolarHBondContact O-N 2.94Å
505C31.5Very low27.5Very low121 Ų121124.8 Ų124.882%0.81878%0.778SS**  trans-71.286.4155.1-75.40000108T503T503-C505 PolarHBondContact O-N 3.21Å
506G25.8Very low27Very low72 Ų72126.2 Ų126.274%0.74278%0.778SS**  trans-58.2158.8138.900000109.2C504C504-G506 PolarHBondContact O-N 2.94Å
507G24.9Very low27Very low67 Ų67122.6 Ų122.669%0.69177%0.773SS**  cis-163.9163.98.500000109.9S509G507-S509 PolarHBondContact O-N 2.94Å; G507-S509 VanDerWaalsContact O-N 3.14Å
508C24.1Very low26.8Very low128 Ų128127.3 Ų127.387%0.86578%0.783SS**  trans-57.9114170.9-62.50000109.8L510C508-L510 VanDerWaalsContact C-N 3.35Å; C508-L510 PolarHBondContact O-N 2.96Å
509S26.5Very low26.9Very low117 Ų117131.7 Ų131.782%0.81879%0.792SS**  trans-64.499.5159.5-690000108.4G507 S511G507-S509 PolarHBondContact O-N 2.94Å; G507-S509 VanDerWaalsContact O-N 3.14Å; S509-S511 PolarHBondContact O-N 3.35Å
510L23.5Very low26.2Very low169 Ų169128 Ų12889%0.88577%0.774SS**  trans-59.184.1162.5-78.8159.2000108.7C508 M512C508-L510 VanDerWaalsContact C-N 3.35Å; C508-L510 PolarHBondContact O-N 2.96Å; L510-M512 PolarHBondContact O-N 3.06Å
511S26Very low26.1Very low105 Ų105129.8 Ų129.873%0.73477%0.773SS**  trans-84.5102.1164.359.70000108.1S509 K513S509-S511 PolarHBondContact O-N 3.35Å; S511-K513 VanDerWaalsContact C-N 3.32Å; S511-K513 PolarHBondContact O-N 3.26Å
512M22.8Very low26Very low190 Ų190134.2 Ų134.294%0.93679%0.786SS**  trans-57.992.4166.5-78.9-15214500109.9L510 K514L510-M512 PolarHBondContact O-N 3.06Å; M512-K514 PolarHBondContact O-N 3.29Å
513K24.5Very low25.5Very low195 Ų195136.3 Ų136.385%0.84879%0.785SS**  trans-91.593.6157.8-105.9-179.3176.7178.90108.2S511 R515S511-K513 VanDerWaalsContact C-N 3.32Å; S511-K513 PolarHBondContact O-N 3.26Å; K513-R515 PolarHBondContact O-N 3.18Å; K513-R515 VanDerWaalsContact O-N 3.07Å
514K23.5Very low25.2Very low180 Ų180135.6 Ų135.678%0.78379%0.786SS**  trans-43.9112.6157.9-99.9-180171.6176.60108.2M512 N516M512-K514 PolarHBondContact O-N 3.29Å; K514-N516 VanDerWaalsContact C-N 3.27Å; K514-N516 PolarHBondContact O-N 3.43Å; K514-N516 VanDerWaalsContact O-N 3.11Å
515R23.2Very low24.8Very low248 Ų248137.9 Ų137.994%0.93679%0.79SS**  trans-76.387.8158.7-77.6-170-163120.22.9107.2K513K513-R515 PolarHBondContact O-N 3.18Å; K513-R515 VanDerWaalsContact O-N 3.07Å
516N22.9Very low24.4Very low134 Ų134138 Ų13872%0.71779%0.787SS**  trans-100.2142.5150.7-79.64.2000107.3K514K514-N516 VanDerWaalsContact C-N 3.27Å; K514-N516 PolarHBondContact O-N 3.43Å; K514-N516 VanDerWaalsContact O-N 3.11Å
517S25.1Very low24.2Very low109 Ų109141.6 Ų141.676%0.76279%0.789SS**  trans84.790.4176-134.20000116.4D519S517-D519 PolarHBondContact O-N 3.03Å
518I24.2Very low24.2Very low157 Ų157147.3 Ų147.381%0.80580%0.798SS**  -37114.4128.7-61.1153.9000107.3A520I518-A520 HydrophobicContact CG2-CB 4.42Å
519D23.6Very low24Very low154 Ų154147.8 Ų147.882%0.82480%0.797SS**  trans-97.3106.6157.4-150.6-5.6000106.3S517 S521S517-D519 PolarHBondContact O-N 3.03Å; D519-S521 VanDerWaalsContact C-N 3.26Å; D519-S521 PolarHBondContact O-N 3.38Å
520A23.1Very low24Very low69 Ų69147.1 Ų147.157%0.5779%0.792SS**  trans-74.282.317700000108.2I518 I522I518-A520 HydrophobicContact CG2-CB 4.42Å; A520-I522 VanDerWaalsContact C-N 3.32Å; A520-I522 PolarHBondContact O-N 3.46Å
521S28.7Very low23.8Very low123 Ų123144.9 Ų144.986%0.8679%0.785SS**  trans-95.778154.6-1300000107.9D519D519-S521 VanDerWaalsContact C-N 3.26Å; D519-S521 PolarHBondContact O-N 3.38Å
522I23.9Very low23.6Very low128 Ų128147.9 Ų147.966%0.65679%0.792SS**  trans-63.2128.6166.1-73.1169.9000108.1A520A520-I522 VanDerWaalsContact C-N 3.32Å; A520-I522 PolarHBondContact O-N 3.46Å
523Q23.5Very low23.5Very low173 Ų173141.8 Ų141.881%0.80878%0.777SS**  trans38.7102.4144.1-59.9166-21.600118.2
524S26.1Very low23.4Very low115 Ų115140.1 Ų140.180%0.80478%0.777SS**  trans-121.892.2138.551.70000107
525I24.3Very low23.5Very low142 Ų142137 Ų13773%0.72878%0.778SS**  50.791.1101.2-53.9170.2000110.1
526T21.4Very low23.4Very low122 Ų122130 Ų13075%0.74877%0.767SS**  28.78785.720.10000115.4
527N21.9Very low23.6Very low148 Ų148130.7 Ų130.779%0.79177%0.771SS**  trans156.796.4130.7-82.4-11.3000110.9
528E24.6Very low23.5Very low187 Ų187131.6 Ų131.687%0.87477%0.772SS**  trans-135.383.8154.2-71.5-166.1-178.300109.2S530E528-S530 VanDerWaalsContact C-N 3.33Å; E528-S530 PolarHBondContact O-N 3.28Å
529T20.5Very low23.6Very low139 Ų139131.8 Ų131.885%0.85377%0.774SS**  trans-6994.8144.823.30000107.4
530S26.6Very low23.6Very low102 Ų102131.6 Ų131.671%0.71377%0.773SS**  trans-97.9101.8160.458.10000108.8E528E528-S530 VanDerWaalsContact C-N 3.33Å; E528-S530 PolarHBondContact O-N 3.28Å
531V19.7Very low23.6Very low122 Ų122135.9 Ų135.974%0.73979%0.785SS**  trans-67.1153.6157.1179.40000107.5
532I21.2Very low23.4Very low169 Ų169136 Ų13687%0.86778%0.78SS**  trans98.4120.9171.1-47.5165.4000112.6
533G21.5Very low23.4Very low61 Ų61138.6 Ų138.663%0.62979%0.79SS**  cis-164.1159.519.800000115.3S535G533-S535 PolarHBondContact O-N 3.36Å
534N20.9Very low23.5Very low160 Ų160139.7 Ų139.786%0.85680%0.797SS**  trans-57.5117.4165.4-62.9-18.5000109.5
535S26Very low23.4Very low115 Ų115142 Ų14280%0.80480%0.801SS**  trans-10292.8155.4-71.10000107.6G533 N537G533-S535 PolarHBondContact O-N 3.36Å; S535-N537 VanDerWaalsContact C-N 3.31Å; S535-N537 PolarHBondContact O-N 2.93Å
536S22.5Very low23.7Very low101 Ų101140.6 Ų140.671%0.70680%0.803SS**  trans-64.889.5165.5-55.50000109.1T538S536-T538 PolarHBondContact O-N 3.19Å
537N26.5Very low23.8Very low148 Ų148140.6 Ų140.679%0.79181%0.807SS**  trans-9087.4157.6-85.2-2.2000107.9S535 L539S535-N537 VanDerWaalsContact C-N 3.31Å; S535-N537 PolarHBondContact O-N 2.93Å; N537-L539 VanDerWaalsContact C-N 3.32Å; N537-L539 PolarHBondContact O-N 3.34Å
538T23.5Very low24.1Very low128 Ų128139.5 Ų139.579%0.78580%0.801SS**  trans-54.795.1159.2-48.20000108.2S536 N540S536-T538 PolarHBondContact O-N 3.19Å; T538-N540 PolarHBondContact O-N 2.93Å
539L25.8Very low24.4Very low161 Ų161137.8 Ų137.884%0.84380%0.798SS**  trans-79.1113.9165-87.1164.5000107.7N537 I541N537-L539 VanDerWaalsContact C-N 3.32Å; N537-L539 PolarHBondContact O-N 3.34Å; L539-I541 PolarHBondContact O-N 3.1Å
540N23.1Very low25.2Very low150 Ų150137 Ų13780%0.80279%0.788SS**  trans-52.8126.1177.5-118.8-10.3000111.1T538 T542T538-N540 PolarHBondContact O-N 2.93Å; N540-T542 PolarHBondContact O-N 2.94Å
541I22.6Very low25.7Very low160 Ų160137.2 Ų137.282%0.82178%0.781SS**  trans-82.2102.8167.1-61.5167000107.2L539L539-I541 PolarHBondContact O-N 3.1Å
542T24.4Very low26.7Very low124 Ų124136.7 Ų136.776%0.76178%0.775SS**  trans-175138.5144.616.40000109.4N540N540-T542 PolarHBondContact O-N 2.94Å
543E24.8Very low27.7Very low184 Ų184134.1 Ų134.186%0.8676%0.762SS**SBendtrans89.656.3177.2-55.1-173.4168.700117.9
544M25.6Very low29Very low195 Ų195134.2 Ų134.296%0.96175%0.754SS**  trans-138.954.2133.8-76.8-153.1-175.700110.1
545N24.6Very low30.3Very low165 Ų165131.3 Ų131.388%0.88274%0.737SS**  trans-10883.6161.2-88.3-18.4000107.7
546S29.5Very low31.8Very low112 Ų112129.7 Ų129.778%0.78372%0.722SS**  trans-177.160.4151.7-176.80000111.1
547C24.6Very low33.3Very low121 Ų121128 Ų12882%0.81871%0.711SS**SBendtrans-139.694.6158.4-63.60000108.7
548D27.3Very low34.4Very low126 Ų126124.7 Ų124.767%0.67469%0.69SS**  trans57.673.9148.5-55.9-35.1000119.4N550D548-N550 PolarHBondContact O-N 2.89Å
549N31.9Very low36Very low150 Ų150123.9 Ų123.980%0.80268%0.681SS**THydrogen-bonded Turntrans-64.97.8155.1-100.1-16.9000113.9
550N35.6Very low37.5Very low122 Ų122120.5 Ų120.565%0.65266%0.663SS**THydrogen-bonded Turntrans-85.9-16.1177.5-83.9-17.3000114.1D548 N553 S554D548-N550 PolarHBondContact O-N 2.89Å; N550-N553 PolarHBondContact O-N 3.25Å; N550-S554 PolarHBondContact O-N 3.07Å
551N38.1Very low39.5Very low107 Ų107120.2 Ų120.257%0.57265%0.651SS**Hα-helixtrans-71.9-33.4-175.8-109.4-2.6000113.7N553 S554 I555N551-N553 VanDerWaalsContact C-N 3.3Å; N551-N553 PolarHBondContact O-N 3.35Å; N551-S554 WeakPolarHBondContact O-CB 3.4Å; N551-S554 PolarHBondContact O-N 2.79Å; N551-I555 PolarHBondContact O-N 3.11Å; N551-I555 VanDerWaalsContact O-N 3.11Å
552N40.1Very low41.2Very low112 Ų112116.6 Ų116.660%0.59963%0.633SS**Hα-helixtrans-66.5-34.8178.5-72.2-8.2000111.7V556N552-V556 WeakPolarHBondContact O-CB 3.43Å; N552-V556 WeakPolarHBondContact O-CG2 3.48Å; N552-V556 PolarHBondContact O-N 2.88Å; N552-V556 VanDerWaalsContact O-N 3.14Å
553N42.1Very low42.7Very low114 Ų114114.5 Ų114.561%0.6163%0.627SS**Hα-helixtrans-69.3-34.9174.7-74-15000112N550 N551 S557N550-N553 PolarHBondContact O-N 3.25Å; N551-N553 VanDerWaalsContact C-N 3.3Å; N551-N553 PolarHBondContact O-N 3.35Å; N553-S557 WeakPolarHBondContact O-CB 3.12Å; N553-S557 PolarHBondContact O-N 3.04Å; N553-S557 PolarHBondContact O-OG 3.1Å; N553-S557 VanDerWaalsContact O-OG 3.13Å
554S50.1Low44.1Very low64 Ų64112.1 Ų112.145%0.44862%0.621SS.*Hα-helixtrans-64.7-50.1176.9-178.80000112N550 N551 V556 S557 E558N550-S554 PolarHBondContact O-N 3.07Å; N551-S554 WeakPolarHBondContact O-CB 3.4Å; N551-S554 PolarHBondContact O-N 2.79Å; S554-V556 PolarHBondContact O-N 3.14Å; S554-S557 WeakPolarHBondContact CA-OG 3.36Å; S554-S557 PolarHBondContact O-N 3.03Å; S554-S557 PolarHBondContact O-OG 2.82Å; S554-E558 PolarHBondContact O-N 3.1Å
555I47.9Very low45.1Very low98 Ų98104.5 Ų104.550%0.50359%0.586SS.*Hα-helixtrans-63.2-44.8-179.9-63.1169.3000110.9N551 S557 E558 L559N551-I555 PolarHBondContact O-N 3.11Å; N551-I555 VanDerWaalsContact O-N 3.11Å; I555-S557 VanDerWaalsContact C-N 3.32Å; I555-S557 PolarHBondContact O-N 3.5Å; I555-E558 PolarHBondContact O-N 2.84Å; I555-L559 HydrophobicContact CG2-CD1 3.99Å; I555-L559 WeakPolarHBondContact O-CB 3.37Å; I555-L559 WeakPolarHBondContact O-CG 3.45Å; I555-L559 PolarHBondContact O-N 2.87Å
556V57.1Low45.9Very low82 Ų82101.4 Ų101.450%0.49757%0.57SS.*Hα-helixtrans-65.2-37.2177.3174.60000111.1N552 S554 N560N552-V556 WeakPolarHBondContact O-CB 3.43Å; N552-V556 WeakPolarHBondContact O-CG2 3.48Å; N552-V556 PolarHBondContact O-N 2.88Å; N552-V556 VanDerWaalsContact O-N 3.14Å; S554-V556 PolarHBondContact O-N 3.14Å; V556-N560 VanDerWaalsContact O-CB 3.31Å; V556-N560 WeakPolarHBondContact O-CB 3.47Å; V556-N560 PolarHBondContact O-N 3.34Å
557S54Low46.6Very low66 Ų66102 Ų10246%0.46256%0.563SS.*Hα-helixtrans-66.6-38.1176.470.70000112.7N553 S554 I555 N560 R561N553-S557 WeakPolarHBondContact O-CB 3.12Å; N553-S557 PolarHBondContact O-N 3.04Å; N553-S557 PolarHBondContact O-OG 3.1Å; N553-S557 VanDerWaalsContact O-OG 3.13Å; S554-S557 WeakPolarHBondContact CA-OG 3.36Å; S554-S557 PolarHBondContact O-N 3.03Å; S554-S557 PolarHBondContact O-OG 2.82Å; I555-S557 VanDerWaalsContact C-N 3.32Å; I555-S557 PolarHBondContact O-N 3.5Å; S557-N560 PolarHBondContact O-N 3.46Å; S557-R561 WeakPolarHBondContact O-CB 3.32Å; S557-R561 PolarHBondContact O-N 3.28Å
558E50.7Low47.4Very low78 Ų78103.7 Ų103.736%0.36456%0.557SS.*Hα-helixtrans-76-37.8-179.9-164.268.2168.500112S554 I555 N560 R561 I562S554-E558 PolarHBondContact O-N 3.1Å; I555-E558 PolarHBondContact O-N 2.84Å; E558-N560 VanDerWaalsContact C-N 3.34Å; E558-R561 VanDerWaalsContact CD-CZ 3.41Å; E558-R561 VanDerWaalsContact CD-NH1 3.29Å; E558-R561 WeakPolarHBondContact O-CB 3.34Å; E558-R561 PolarHBondContact O-N 2.97Å; E558-R561 VanDerWaalsContact O-N 3.16Å; E558-R561 IonicContact OE1-CZ 2.96Å; E558-R561 IonicContact OE1-NE 3.66Å; E558-R561 IonicContact OE1-NH1 3Å; E558-R561 PolarHBondContact OE1-NH1 3.4Å; E558-R561 IonicContact OE1-NH2 2.94Å; E558-R561 PolarHBondContact OE1-NH2 3.16Å; E558-R561 IonicContact OE2-CZ 3.09Å; E558-R561 VanDerWaalsContact OE2-CZ 3.27Å; E558-R561 IonicContact OE2-NE 2.62Å; E558-R561 IonicContact OE2-NH1 3.02Å; E558-R561 PolarHBondContact OE2-NH1 2.94Å; E558-R561 IonicContact OE2-NH2 2.73Å; E558-I562 WeakPolarHBondContact O-CG1 3.31Å; E558-I562 PolarHBondContact O-N 3.35Å
559L56Low48.1Very low111 Ų111105.4 Ų105.458%0.58156%0.561SS**Hα-helixtrans-61.7-42169.7-73.6171.4000111.4I555 R561 I562 A563I555-L559 HydrophobicContact CG2-CD1 3.99Å; I555-L559 WeakPolarHBondContact O-CB 3.37Å; I555-L559 WeakPolarHBondContact O-CG 3.45Å; I555-L559 PolarHBondContact O-N 2.87Å; L559-R561 VanDerWaalsContact C-N 3.33Å; L559-I562 PolarHBondContact O-N 3.11Å; L559-A563 VanDerWaalsContact O-CB 3.28Å; L559-A563 WeakPolarHBondContact O-CB 3.3Å; L559-A563 PolarHBondContact O-N 3.08Å
560N58.4Low48.6Very low90 Ų90105.9 Ų105.948%0.48155%0.552SS.*Hα-helixtrans-64.8-35.9172.6-90.5-24000112.1V556 S557 E558 N564V556-N560 VanDerWaalsContact O-CB 3.31Å; V556-N560 WeakPolarHBondContact O-CB 3.47Å; V556-N560 PolarHBondContact O-N 3.34Å; S557-N560 PolarHBondContact O-N 3.46Å; E558-N560 VanDerWaalsContact C-N 3.34Å; N560-N564 VanDerWaalsContact O-CB 3.24Å; N560-N564 WeakPolarHBondContact O-CB 3.33Å; N560-N564 VanDerWaalsContact O-CG 3.25Å; N560-N564 PolarHBondContact O-N 2.81Å; N560-N564 PolarHBondContact O-ND2 2.83Å
561R65.4Low48.6Very low144 Ų144104.5 Ų104.554%0.54354%0.543SS..Hα-helixtrans-64.9-44.1176.1-162.8-168.682.8-160.7-3.2111.5S557 E558 L559 S565S557-R561 WeakPolarHBondContact O-CB 3.32Å; S557-R561 PolarHBondContact O-N 3.28Å; E558-R561 VanDerWaalsContact CD-CZ 3.41Å; E558-R561 VanDerWaalsContact CD-NH1 3.29Å; E558-R561 WeakPolarHBondContact O-CB 3.34Å; E558-R561 PolarHBondContact O-N 2.97Å; E558-R561 VanDerWaalsContact O-N 3.16Å; E558-R561 IonicContact OE1-CZ 2.96Å; E558-R561 IonicContact OE1-NE 3.66Å; E558-R561 IonicContact OE1-NH1 3Å; E558-R561 PolarHBondContact OE1-NH1 3.4Å; E558-R561 IonicContact OE1-NH2 2.94Å; E558-R561 PolarHBondContact OE1-NH2 3.16Å; E558-R561 IonicContact OE2-CZ 3.09Å; E558-R561 VanDerWaalsContact OE2-CZ 3.27Å; E558-R561 IonicContact OE2-NE 2.62Å; E558-R561 IonicContact OE2-NH1 3.02Å; E558-R561 PolarHBondContact OE2-NH1 2.94Å; E558-R561 IonicContact OE2-NH2 2.73Å; L559-R561 VanDerWaalsContact C-N 3.33Å; R561-S565 WeakPolarHBondContact O-CB 3.45Å; R561-S565 PolarHBondContact O-N 3Å
562I58.2Low48.7Very low84 Ų84104.9 Ų104.943%0.43155%0.549SS..Hα-helixtrans-65.5-48177.5-65.5165.5000110E558 L559 N564 S565E558-I562 WeakPolarHBondContact O-CG1 3.31Å; E558-I562 PolarHBondContact O-N 3.35Å; L559-I562 PolarHBondContact O-N 3.11Å; I562-N564 VanDerWaalsContact C-N 3.27Å; I562-N564 PolarHBondContact O-N 3.25Å; I562-S565 PolarHBondContact O-N 3.01Å; I562-S565 VanDerWaalsContact O-N 3.14Å; I562-S565 PolarHBondContact O-OG 3.04Å
563A55.3Low48.3Very low79 Ų79106 Ų10665%0.65356%0.556SS**Hα-helixtrans-62.9-31.6-179.900000113.4L559L559-A563 VanDerWaalsContact O-CB 3.28Å; L559-A563 WeakPolarHBondContact O-CB 3.3Å; L559-A563 PolarHBondContact O-N 3.08Å
564N53.4Low47.7Very low135 Ų135108 Ų10872%0.72257%0.566SS**THydrogen-bonded Turntrans-92.7-1.7178-66.4-48.2000113.8N560 I562N560-N564 VanDerWaalsContact O-CB 3.24Å; N560-N564 WeakPolarHBondContact O-CB 3.33Å; N560-N564 VanDerWaalsContact O-CG 3.25Å; N560-N564 PolarHBondContact O-N 2.81Å; N560-N564 PolarHBondContact O-ND2 2.83Å; I562-N564 VanDerWaalsContact C-N 3.27Å; I562-N564 PolarHBondContact O-N 3.25Å
565S47.9Very low46.5Very low34 Ų34113.6 Ų113.624%0.23858%0.582CS.*SBendtrans-81.5125.9175.865.50000110.5R561 I562 L567 W570R561-S565 WeakPolarHBondContact O-CB 3.45Å; R561-S565 PolarHBondContact O-N 3Å; I562-S565 PolarHBondContact O-N 3.01Å; I562-S565 VanDerWaalsContact O-N 3.14Å; I562-S565 PolarHBondContact O-OG 3.04Å; S565-L567 PolarHBondContact O-N 2.95Å; S565-W570 PolarHBondContact OG-NE1 2.77Å
566D40.9Very low45.6Very low101 Ų101114.9 Ų114.954%0.5460%0.597SS.*  trans-63.8128.1178.8-168.8-7.1000109.6K568 Q569D566-K568 PolarHBondContact O-N 2.96Å; D566-Q569 PolarHBondContact O-N 3.17Å
567L44Very low44.2Very low123 Ų123119.7 Ų119.764%0.64461%0.614SS**G310 helixtrans-54.4-27.3-175.3-167.372.3000111.8S565 Q569 W570 I571S565-L567 PolarHBondContact O-N 2.95Å; L567-Q569 PolarHBondContact O-N 3.31Å; L567-W570 WeakPolarHBondContact O-CB 3.49Å; L567-W570 PolarHBondContact O-N 3.36Å; L567-I571 HydrophobicContact CD2-CD1 4.37Å; L567-I571 HydrophobicContact CG-CD1 4.26Å; L567-I571 WeakPolarHBondContact O-CG1 3.48Å; L567-I571 PolarHBondContact O-N 2.84Å
568K41.5Very low42.7Very low157 Ų157125.5 Ų125.568%0.68363%0.634SS**G310 helixtrans-59.8-25.3175.3-71.1-178.5179.2176.10114.4D566 W570D566-K568 PolarHBondContact O-N 2.96Å; K568-W570 VanDerWaalsContact C-N 3.29Å
569Q41.8Very low41.5Very low163 Ų163132.4 Ų132.476%0.76266%0.658SS**G310 helixtrans-75-20.5174.9-67.1-164.7-5.100112.9D566 L567D566-Q569 PolarHBondContact O-N 3.17Å; L567-Q569 PolarHBondContact O-N 3.31Å
570W42Very low40Very low159 Ų159134.8 Ų134.860%0.60267%0.671SS**THydrogen-bonded Turntrans-92.4-19.8177-60.292.6000112.5S565 L567 K568 V572S565-W570 PolarHBondContact OG-NE1 2.77Å; L567-W570 WeakPolarHBondContact O-CB 3.49Å; L567-W570 PolarHBondContact O-N 3.36Å; K568-W570 VanDerWaalsContact C-N 3.29Å; W570-V572 PolarHBondContact O-N 3.08Å
571I36.2Very low38.3Very low93 Ų93135.1 Ų135.148%0.47768%0.681SS.*SBendtrans-84.388.3172.6-57.5167.4000107.2L567 N573L567-I571 HydrophobicContact CD2-CD1 4.37Å; L567-I571 HydrophobicContact CG-CD1 4.26Å; L567-I571 WeakPolarHBondContact O-CG1 3.48Å; L567-I571 PolarHBondContact O-N 2.84Å; I571-N573 PolarHBondContact O-N 3.4Å
572V39.1Very low36.4Very low115 Ų115136.3 Ų136.370%0.69770%0.698SS**  trans-56.1106165.8177.80000107.1W570 D574W570-V572 PolarHBondContact O-N 3.08Å; V572-D574 VanDerWaalsContact C-N 3.33Å; V572-D574 PolarHBondContact O-N 3Å
573N31.8Very low34.7Very low137 Ų137138.7 Ų138.773%0.73372%0.716SS**  trans-69.295.5170.3-79.9-45.4000107.5I571 K575I571-N573 PolarHBondContact O-N 3.4Å; N573-K575 VanDerWaalsContact C-N 3.3Å; N573-K575 PolarHBondContact O-N 2.9Å
574D30.2Very low33.3Very low154 Ų154138.4 Ų138.482%0.82472%0.721SS**  trans-57.292.7165.6-76.9-29.8000109.1V572V572-D574 VanDerWaalsContact C-N 3.33Å; V572-D574 PolarHBondContact O-N 3Å
575K25.6Very low31.8Very low183 Ų183137.6 Ų137.680%0.79673%0.725SS**  trans-94.5130155-80.8-168.7176.2-178.20107.5N573 E577N573-K575 VanDerWaalsContact C-N 3.3Å; N573-K575 PolarHBondContact O-N 2.9Å; K575-E577 PolarHBondContact O-N 3.32Å; K575-E577 VanDerWaalsContact O-N 3.12Å
576P28.5Very low30.5Very low124 Ų124146.7 Ų146.781%0.80576%0.755SS**  trans-71.6111.5-172.228.5-31.8000109Q578P576-Q578 PolarHBondContact O-N 3.07Å
577E27.6Very low29.6Very low184 Ų184146.8 Ų146.886%0.8676%0.764SS**  trans-64.1123.1165.8-71.3-165.8162.900108.5K575 Y579K575-E577 PolarHBondContact O-N 3.32Å; K575-E577 VanDerWaalsContact O-N 3.12Å; E577-Y579 PolarHBondContact O-N 3Å
578Q22.7Very low28.6Very low188 Ų188148.1 Ų148.188%0.87977%0.771SS**  trans-57.1121179.5-74.4171.6-41.500110.2P576 N580P576-Q578 PolarHBondContact O-N 3.07Å; Q578-N580 PolarHBondContact O-N 3.01Å; Q578-N580 VanDerWaalsContact O-N 3.16Å
579Y25.8Very low27.8Very low223 Ų223152.7 Ų152.788%0.87578%0.784SS**  trans-56.2115.5166.3-88.7-94.3000110.1E577 S581E577-Y579 PolarHBondContact O-N 3Å; Y579-S581 PolarHBondContact O-N 2.99Å; Y579-S581 VanDerWaalsContact O-N 3.13Å
580N24Very low26.8Very low160 Ų160156.1 Ų156.186%0.85679%0.79SS**  trans-67.8106.4158.3-92.5-26.6000108.2Q578 N582Q578-N580 PolarHBondContact O-N 3.01Å; Q578-N580 VanDerWaalsContact O-N 3.16Å; N580-N582 PolarHBondContact O-N 3.46Å; N580-N582 VanDerWaalsContact O-N 3.13Å
581S22.8Very low25.9Very low98 Ų98157.6 Ų157.669%0.68580%0.804SS**  trans-60.5103.4167.454.20000110.3Y579Y579-S581 PolarHBondContact O-N 2.99Å; Y579-S581 VanDerWaalsContact O-N 3.13Å
582N24.3Very low25.4Very low168 Ų168162.9 Ų162.990%0.89883%0.827SS**  trans-112.287.9153.7-10111.5000108.6N580 G584N580-N582 PolarHBondContact O-N 3.46Å; N580-N582 VanDerWaalsContact O-N 3.13Å; N582-G584 PolarHBondContact O-N 3.25Å
583V23.6Very low24.5Very low135 Ų135165.2 Ų165.282%0.81883%0.834SS**  trans-66.499.5161.4175.40000106.9
584G24.9Very low24.1Very low72 Ų72165.9 Ų165.974%0.74284%0.838SS**PPolyproline II helixtrans-101118.7167.800000109.4N582N582-G584 PolarHBondContact O-N 3.25Å
585C21.7Very low23.8Very low119 Ų119164.2 Ų164.280%0.80484%0.838SS**PPolyproline II helixtrans-54.8149.3-166-66.20000117.7
586Y20.8Very low23.6Very low225 Ų225162.5 Ų162.588%0.88284%0.843SS**PPolyproline II helixtrans-46.4164.9150.3-90.8-98.2000114.1
587S22.7Very low23.3Very low102 Ų102164.7 Ų164.771%0.71384%0.842SS**  trans101.8118.7173.3-38.10000110.3
588D23.8Very low23Very low151 Ų151160.8 Ų160.881%0.80783%0.833SS**  cis-159.4136.728.3-84.6-52.2000109
589R24.5Very low23.1Very low253 Ų253158.8 Ų158.896%0.95583%0.833SS**  trans-17267.2146.7-106.3174.2-173.5-154.61.9109.3
590R19.6Very low23Very low235 Ų235153.6 Ų153.689%0.88783%0.825SS**  trans-86.1146.6151.9-81.1-172.6164.4-156-3.9107.7
591Q23.7Very low22.9Very low191 Ų191154.8 Ų154.889%0.89383%0.825SS**  trans96.483.5170.3-55.6178.24.800116.6
592Q25.1Very low23Very low204 Ų204157.2 Ų157.295%0.95383%0.83SS**  -153.375127.1-133.1172.71.500108.9
593L20.5Very low22.8Very low163 Ų163154.3 Ų154.385%0.85382%0.822SS**  trans-95.5113.6159.4-96139.8000105.2
594D22.7Very low22.7Very low152 Ų152156 Ų15681%0.81383%0.825SS**  trans159.6101.5143.8-85.2-18.6000109.4
595S24.9Very low22.6Very low118 Ų118158.9 Ų158.983%0.82583%0.829SS**  trans-172.976.5148-800000109.1
596V20.8Very low22.7Very low147 Ų147158.7 Ų158.789%0.89183%0.829SS**  trans-84.1105160176.70000106.4
597H22.2Very low22.8Very low170 Ų170153.7 Ų153.779%0.78783%0.827SS**  trans-101.8131.4163.5-107.1-71.1000109.4
598P21.7Very low23Very low103 Ų103153.1 Ų153.167%0.66983%0.828SS**  trans-76.6129.6-174.729.6-32.2000111.2T600P598-T600 PolarHBondContact O-N 2.91Å; P598-T600 VanDerWaalsContact O-N 3.17Å
599V25.5Very low23Very low145 Ų145151.5 Ų151.588%0.87983%0.826SS**  trans-71.1106.5170.5177.40000108.2
600T23.1Very low22.8Very low115 Ų115147.5 Ų147.571%0.70682%0.818SS**  trans-61.1130.4171.834.90000111.7P598 N602P598-T600 PolarHBondContact O-N 2.91Å; P598-T600 VanDerWaalsContact O-N 3.17Å; T600-N602 PolarHBondContact O-N 3.41Å
601Q21.7Very low23.1Very low184 Ų184143.1 Ų143.186%0.8682%0.817SS**  trans-61110.4166.4-75.3175.8-28.200110.4C603Q601-C603 PolarHBondContact O-N 2.92Å
602N24.8Very low23Very low150 Ų150139.4 Ų139.480%0.80280%0.804SS**  trans-82.8100.5163.6-79.9-10.8000109T600 L604T600-N602 PolarHBondContact O-N 3.41Å; N602-L604 PolarHBondContact O-N 3.25Å
603C19.7Very low22.8Very low107 Ų107138.7 Ų138.772%0.72380%0.798SS**  trans-65.1116158.5-70.60000109.3Q601Q601-C603 PolarHBondContact O-N 2.92Å
604L23.3Very low23Very low170 Ų170135.7 Ų135.789%0.8979%0.791SS**  trans-114.291.2154.4-79.7168.7000107.9N602 S606N602-L604 PolarHBondContact O-N 3.25Å; L604-S606 PolarHBondContact O-N 2.91Å
605T21.1Very low22.9Very low133 Ų133136 Ų13682%0.81679%0.792SS**  trans-61.8113158.738.50000109.4
606S24.9Very low22.9Very low114 Ų114137.3 Ų137.380%0.79779%0.788SS**  trans-107.5105.8152.779.80000108.4L604 A608L604-S606 PolarHBondContact O-N 2.91Å; S606-A608 PolarHBondContact O-N 3.15Å
607S22.1Very low22.9Very low121 Ų121138 Ų13885%0.84679%0.787SS**  trans-56108.2169.243.20000111.2
608A27.3Very low23.1Very low89 Ų89138.1 Ų138.174%0.73679%0.79SS**  trans-90135.2159.800000108.5S606S606-A608 PolarHBondContact O-N 3.15Å
609P23.6Very low23.1Very low118 Ų118142 Ų14277%0.76680%0.799SS**  trans-70.7134.1-167.427-32.3000111.9T611P609-T611 PolarHBondContact O-N 3.16Å
610Q21.4Very low23Very low169 Ų169143 Ų14379%0.7980%0.798SS**  trans-56.3114.8167.1-68-177.1-18.400109.4
611T25.2Very low23.2Very low142 Ų142145.1 Ų145.187%0.87181%0.805SS**  trans-98.8112.1158.937.80000107.2P609P609-T611 PolarHBondContact O-N 3.16Å
612N21.6Very low23.1Very low113 Ų113139.2 Ų139.260%0.60479%0.793SS**  trans-101.5127.8-177-97.5-23000108.1
613F21.2Very low23Very low190 Ų190142 Ų14283%0.83380%0.798SS**  trans62.1147.4164.1-59.6-80.7000116.6
614S23.4Very low23.2Very low100 Ų100140.8 Ų140.870%0.69980%0.804SS**  cis-165.2159.931.110.40000110
615D21.6Very low23.1Very low159 Ų159144.7 Ų144.785%0.8581%0.807SS**  trans-44.7127.8170.4-58.1-60.2000113.6
616I25.2Very low23.2Very low144 Ų144142.4 Ų142.474%0.73881%0.81SS**  trans-125.695.7164.2-60.4172.9000106.3M618I616-M618 PolarHBondContact O-N 3.43Å
617D20Very low23Very low163 Ų163140.9 Ų140.987%0.87281%0.812SS**  trans-60.8117.4160.1-79.1-42.2000108.4
618M26.8Very low22.9Very low172 Ų172142.5 Ų142.585%0.84782%0.817SS**  trans-103104.2167.4-115.1-174-59.300108.6I616I616-M618 PolarHBondContact O-N 3.43Å
619E21.9Very low22.8Very low184 Ų184141.4 Ų141.486%0.8681%0.813SS**  trans-60.5133.7176.5-164.2169.4-169.400111.4D621E619-D621 PolarHBondContact O-N 3.37Å
620I22.5Very low22.7Very low167 Ų167144.1 Ų144.186%0.85682%0.816SS**  trans-82.197.7177.1-60.9170.5000107.4
621D27Very low22.7Very low159 Ų159143.8 Ų143.885%0.8582%0.819SS**  trans-89.9125.8173.8-138.3-5.4000110.8E619E619-D621 PolarHBondContact O-N 3.37Å
622G19.7Very low22.6Very low59 Ų59145.1 Ų145.161%0.60882%0.821SS**  trans-89.1178.8-175.100000114.5
623K22.6Very low22.6Very low209 Ų209148.2 Ų148.291%0.90983%0.831SS**  trans81.391.7161.6-61.7175.1177168.20117.7
624G25.6Very low23.2Very low82 Ų82143.2 Ų143.285%0.84582%0.818SS**  trans-120.1103.1143.800000109.7
625R21.3Very low23.3Very low252 Ų252145.9 Ų145.995%0.95183%0.825SS**  trans-72.7146.8172.7-76.6176.1175.5-117.90.6110.7
626G21.6Very low23.3Very low85 Ų85144.4 Ų144.488%0.87682%0.822SS**  trans141.2106.914500000115.1
627G21.2Very low23.5Very low82 Ų82145.3 Ų145.385%0.84583%0.827SS**  trans143.171161.400000114.5
628V21Very low23.7Very low155 Ų155142.1 Ų142.194%0.93982%0.817SS**  trans-87.8125.3163.3175.20000107.6
629G23.8Very low23.5Very low65 Ų65141.1 Ų141.167%0.6782%0.816SS**  trans-163.391.6161.100000105.4
630E22Very low23.6Very low175 Ų175144.3 Ų144.382%0.81882%0.82SS**  60.885.289-153.6168.8-153.500109.5
631L21.5Very low23.7Very low162 Ų162141.1 Ų141.185%0.84881%0.81SS**  60.190.2100.1-78.6170000112.9
632D23.9Very low23.5Very low171 Ų171140 Ų14091%0.91480%0.802SS**  trans-132.7107.7154.4-87.2-35.9000109.1
633E20.6Very low23.7Very low177 Ų177145.6 Ų145.683%0.82782%0.817SS**  trans-102.8165.4153.2-147.8-158.4153.500105.5
634P33.9Very low23.7Very low85 Ų85143.2 Ų143.255%0.55281%0.814SS**  cis-122.3174.7-2120.72.1000111.6
635D25.2Very low23.7Very low157 Ų157144.4 Ų144.484%0.8481%0.809SS**  trans-15090.9141.2-106.4-24.2000110.9L637D635-L637 PolarHBondContact O-N 3.23Å; D635-L637 VanDerWaalsContact O-N 3.13Å
636T22.5Very low23.9Very low128 Ų128138 Ų13879%0.78580%0.8SS**  trans-72.387.6166.544.50000110S638T636-S638 VanDerWaalsContact C-N 3.28Å; T636-S638 PolarHBondContact O-N 3.14Å
637L28.6Very low24Very low163 Ų163139.9 Ų139.985%0.85380%0.8SS**  trans-80.582.5163.4-75177.5000110.8D635D635-L637 PolarHBondContact O-N 3.23Å; D635-L637 VanDerWaalsContact O-N 3.13Å
638S24.6Very low24.3Very low96 Ų96143.8 Ų143.867%0.67180%0.8SS**  trans10.6109.7137.6-177.10000117.5T636T636-S638 VanDerWaalsContact C-N 3.28Å; T636-S638 PolarHBondContact O-N 3.14Å
639N22.9Very low24.5Very low151 Ų151143.4 Ų143.481%0.80779%0.792SS**  29.399123.8-69.2-29.6000116.6
640R23Very low24.6Very low251 Ų251148 Ų14895%0.94780%0.8SS**  trans-106113.3152.3-144.7179-168.9-155.92.7108.9
641P24.5Very low24.7Very low100 Ų100144 Ų14465%0.64979%0.792SS**  trans-85.2146.4-173.732.7-32.6000112.8
642I22.8Very low24.9Very low134 Ų134144.1 Ų144.169%0.68779%0.793SS**  trans62.6113139.5-54161.9000118
643L24.3Very low25.1Very low177 Ų177142.5 Ų142.593%0.92779%0.794SS**  -137.184.1125-76.5-178.2000108.4
644L23.7Very low25.2Very low159 Ų159144 Ų14483%0.83280%0.797SS**  trans-83.3108.3160.4-88.8146.1000106.9
645S25.4Very low25Very low108 Ų108145.3 Ų145.376%0.75581%0.809SS**PPolyproline II helixtrans-67.1141.6166.4-57.60000109.3
646P25.4Very low25.2Very low116 Ų116147 Ų14775%0.75381%0.808SS**PPolyproline II helixtrans-78.1151.5-157.330.3-34.7000114I648P646-I648 PolarHBondContact O-N 2.88Å
647S23.6Very low25.5Very low125 Ų125149.7 Ų149.787%0.87481%0.812SS**PPolyproline II helixtrans-56.2122.2171.4-50.50000111.4
648I27Very low25.5Very low164 Ų164151.2 Ų151.284%0.84181%0.812SS**  trans-85.7109.7167.6-66167.8000106.7P646P646-I648 PolarHBondContact O-N 2.88Å
649D25.7Very low25.6Very low147 Ų147153.5 Ų153.579%0.78682%0.817SS**  trans-78135.7175.1-149.5-11.6000110.2S651D649-S651 PolarHBondContact O-N 3.41Å
650I25.3Very low25.7Very low162 Ų162155.7 Ų155.783%0.83182%0.822SS**SBendtrans-90.887.6-175.2-59.1170.1000108.4
651S23.7Very low25.9Very low92 Ų92152.3 Ų152.364%0.64382%0.815SS**  trans-169.656.9158.762.20000113.3D649D649-S651 PolarHBondContact O-N 3.41Å
652D26.3Very low25.9Very low163 Ų163155 Ų15587%0.87282%0.822SS**  trans-158.670.3167.2-95.1-30.4000112
653C27.4Very low26.1Very low138 Ų138158.6 Ų158.693%0.93283%0.833SS**  trans-158.152.4158.8-97.10000110.7
654K24.5Very low26Very low207 Ų207158.4 Ų158.490%0.983%0.832SS**SBendtrans-13076.8161-90.8-171.3176.9178.70108.6
655S29.4Very low25.8Very low114 Ų114156 Ų15680%0.79783%0.829SS**  trans160.487.9152.755.50000110.3
656K29.3Very low25.6Very low191 Ų191156 Ų15683%0.8383%0.828SS**  trans-13685147.8-92.5-176.2179.7172.20107.1F658K656-F658 PolarHBondContact O-N 3.09Å
657E27.5Very low25.5Very low186 Ų186159.3 Ų159.387%0.86983%0.831SS**  trans-46.6108154.1-79172129.100107.9N659E657-N659 PolarHBondContact O-N 3.18Å
658F29.5Very low25.4Very low195 Ų195163 Ų16386%0.85583%0.831SS**  trans-82112163.8-108.2-89.5000107.3K656 E660K656-F658 PolarHBondContact O-N 3.09Å; F658-E660 PolarHBondContact O-N 3.34Å
659N26.1Very low25.2Very low143 Ų143160.6 Ų160.677%0.76583%0.829SS**  trans-46.5110.3-177.3-72.9-70.3000114.3E657 K661E657-N659 PolarHBondContact O-N 3.18Å; N659-K661 PolarHBondContact O-N 3.29Å
660E25.1Very low25Very low197 Ų197159.6 Ų159.692%0.92183%0.829SS**  trans-7074.4152.2-84.3-171.4139.500110F658F658-E660 PolarHBondContact O-N 3.34Å
661K27.1Very low25.1Very low181 Ų181158.6 Ų158.679%0.78782%0.824SS**  trans-151.680.8163.2-80.7-168.6-177.5168.10110.1N659N659-K661 PolarHBondContact O-N 3.29Å
662I25.8Very low24.9Very low156 Ų156161 Ų16180%0.883%0.829SS**SBendtrans-16793.6137.9-79.6132000104.6
663F26Very low24.9Very low209 Ų209158.9 Ų158.992%0.91782%0.822SS**  trans17668.5143-98.1-71.2000107.7
664L21.8Very low24.7Very low173 Ų173160.6 Ų160.691%0.90682%0.816SS**  trans-88.6112.3156.9-94155.4000106.9
665S20.4Very low24.8Very low110 Ų110160.1 Ų160.177%0.76981%0.814SS**  163.4140.5124.256.30000113.8
666S21Very low24.8Very low107 Ų107160.4 Ų160.475%0.74881%0.814SS**  trans83126.4170.490.80000115
667K23Very low24.7Very low186 Ų186158.9 Ų158.981%0.80981%0.814SS**  cis-162.9136.27.3-114.5163.5-178.1175.50107.4
668K21.5Very low24.8Very low201 Ų201155.4 Ų155.487%0.87481%0.81SS**  trans43.4116.1145.8-64.8-179.3175.3-175.80119
669S23.8Very low24.7Very low114 Ų114149.5 Ų149.580%0.79779%0.79SS**  -164.3122.8111.7-170.50000110.1L671S669-L671 PolarHBondContact O-N 3.34Å
670T21.5Very low24.8Very low127 Ų127153.4 Ų153.478%0.77980%0.795SS**  trans-74.9112.8173.5-41.30000108.2
671L25.5Very low25.1Very low141 Ų141148.7 Ų148.774%0.73879%0.79SS**  trans-140.485.6157.6-137.8130.9000108.8S669 T673S669-L671 PolarHBondContact O-N 3.34Å; L671-T673 HydrophobicContact CD2-CG2 4.04Å; L671-T673 PolarHBondContact O-N 3.22Å
672L20.6Very low25.1Very low141 Ų141148.3 Ų148.374%0.73879%0.791SS**  trans-6999.8162.1-100.4147.1000107.6Q674L672-Q674 HydrophobicContact CD2-CG 4.09Å
673T25.1Very low25Very low119 Ų119150.3 Ų150.373%0.7379%0.788SS**  trans-114.392.515236.20000107.9L671 K675L671-T673 HydrophobicContact CD2-CG2 4.04Å; L671-T673 PolarHBondContact O-N 3.22Å; T673-K675 PolarHBondContact O-N 3.4Å
674Q24.3Very low25.2Very low174 Ų174147 Ų14781%0.81378%0.779SS**  trans-60.3118.5161.8-75.3172.2-20.100109.5L672L672-Q674 HydrophobicContact CD2-CG 4.09Å
675K26.9Very low25.7Very low197 Ų197149.8 Ų149.886%0.85779%0.793SS**  trans-149.1132.2141.2-107.3179.8-177.6179.90107.6T673T673-K675 PolarHBondContact O-N 3.4Å
676P29.5Very low26Very low121 Ų121151.8 Ų151.879%0.78679%0.794SS**  trans-80.5154.1-165.432.7-33.4000111.3S678P676-S678 PolarHBondContact O-N 3.32Å
677L26.6Very low26.2Very low159 Ų159154.1 Ų154.183%0.83280%0.797SS**  trans-45.9113.1161-96.366.1000109.7
678S29.4Very low26.4Very low112 Ų112152.3 Ų152.378%0.78380%0.796SS**  trans-100.877.7162.5167.50000107.8P676 Y680P676-S678 PolarHBondContact O-N 3.32Å; S678-Y680 PolarHBondContact O-N 3.2Å
679T27.6Very low26.7Very low72 Ų72149.5 Ų149.544%0.44279%0.791SS.*  trans-64.7111154.729.20000108.9
680Y27.3Very low26.9Very low224 Ų224151.7 Ų151.788%0.87879%0.791SS**SBendtrans-147.112.3159.2-133.8-89.4000114.8S678S678-Y680 PolarHBondContact O-N 3.2Å
681A33Very low27.2Very low98 Ų98153.3 Ų153.381%0.8179%0.792SS**SBendtrans-132.515.7170.800000113
682H26.2Very low27.3Very low174 Ų174154.2 Ų154.281%0.80680%0.796SS**SBendtrans-147.561.4176.6-121.5-75.4000111
683W23.7Very low27.9Very low197 Ų197155.2 Ų155.275%0.74680%0.8SS**  trans-147.7131.9154.7-83.595.4000108.1
684L30.6Very low28.1Very low139 Ų139158.3 Ų158.373%0.72881%0.806SS**  trans61.697.8144.4-69.5155.8000117.9
685I32Very low28.4Very low232 Ų232156.8 Ų156.8100%1.1981%0.805SS**  -96.7092.2-59.3172.5000106.1

Retrieved 685 of 685 residues in 967.5 ms (Link to these results)

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