A0A096MCY4_POEFO Loading...

DUF4795 domain-containing protein

AlphaFold DB , UniProt , Accession A0A096MCY4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 629 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
1E53.5Low66.2Low193 Ų193130.8 Ų130.890%0.90265%0.648SS**  0-72.70-68.1166.4-168.100112.7R3 T4 H5E1-R3 PolarHBondContact O-N 3.22Å; E1-T4 WeakPolarHBondContact CA-OG1 3.44Å; E1-T4 PolarHBondContact O-N 2.8Å; E1-T4 VanDerWaalsContact O-N 3.1Å; E1-T4 PolarHBondContact O-OG1 3.1Å; E1-H5 PolarHBondContact O-CD2 3.21Å; E1-H5 PolarHBondContact O-N 3.36Å; E1-H5 VanDerWaalsContact O-N 3.13Å
2S55Low67.5Low110 Ų110131.3 Ų131.377%0.76964%0.644SS**Hα-helixtrans-57.8-41.1-174.7-176.20000115S6S2-S6 PolarHBondContact O-N 3.25Å
3R57.9Low68.4Low220 Ų220128.4 Ų128.483%0.8363%0.632SS**Hα-helixtrans-67.9-34.4175-82.1-174.4175172.8-1.8114.5E1 S6 M7E1-R3 PolarHBondContact O-N 3.22Å; R3-S6 PolarHBondContact O-N 3.49Å; R3-M7 PolarHBondContact O-N 3.13Å
4T63.7Low69.5Low81 Ų81128.2 Ų128.250%0.49763%0.626SS.*Hα-helixtrans-72.9-38.2-178.644.50000111.2E1 S6 M7 Q8E1-T4 WeakPolarHBondContact CA-OG1 3.44Å; E1-T4 PolarHBondContact O-N 2.8Å; E1-T4 VanDerWaalsContact O-N 3.1Å; E1-T4 PolarHBondContact O-OG1 3.1Å; T4-S6 VanDerWaalsContact C-N 3.34Å; T4-S6 PolarHBondContact O-N 3.26Å; T4-M7 PolarHBondContact O-N 3.46Å; T4-Q8 WeakPolarHBondContact O-CG 3.41Å; T4-Q8 PolarHBondContact O-N 3.12Å; T4-Q8 VanDerWaalsContact O-N 3.12Å
5H62.9Low70.5Confident126 Ų126125.3 Ų125.358%0.58362%0.615SS**Hα-helixtrans-63-37.4170-82.2-73.7000112.8E1 Q8 M9E1-H5 PolarHBondContact O-CD2 3.21Å; E1-H5 PolarHBondContact O-N 3.36Å; E1-H5 VanDerWaalsContact O-N 3.13Å; H5-Q8 PolarHBondContact O-N 2.96Å; H5-M9 WeakPolarHBondContact O-CB 3.49Å; H5-M9 PolarHBondContact O-N 3.44Å
6S65.4Low71.5Confident75 Ų75121.7 Ų121.752%0.52460%0.598SS.*Hα-helixtrans-62-44.5177-165.60000112.3S2 R3 T4 M9 E10S2-S6 PolarHBondContact O-N 3.25Å; R3-S6 PolarHBondContact O-N 3.49Å; T4-S6 VanDerWaalsContact C-N 3.34Å; T4-S6 PolarHBondContact O-N 3.26Å; S6-M9 PolarHBondContact O-N 3.1Å; S6-E10 PolarHBondContact O-N 3.49Å; S6-E10 VanDerWaalsContact O-N 3.1Å
7M69.4Low72.1Confident132 Ų132125 Ų12565%0.6560%0.602SS**Hα-helixtrans-66.6-41.9177.7-70.6-179.96600112R3 T4 M9 E10 E11R3-M7 PolarHBondContact O-N 3.13Å; T4-M7 PolarHBondContact O-N 3.46Å; M7-M9 VanDerWaalsContact C-N 3.34Å; M7-M9 PolarHBondContact O-N 3.43Å; M7-E10 PolarHBondContact O-N 3.43Å; M7-E11 WeakPolarHBondContact O-CB 3.41Å; M7-E11 PolarHBondContact O-N 3.14Å
8Q72.4Confident72.9Confident127 Ų127125 Ų12559%0.59360%0.599SS**Hα-helixtrans-63-38.8176.6-73.9176.8-33.500112.3T4 H5 F12T4-Q8 WeakPolarHBondContact O-CG 3.41Å; T4-Q8 PolarHBondContact O-N 3.12Å; T4-Q8 VanDerWaalsContact O-N 3.12Å; H5-Q8 PolarHBondContact O-N 2.96Å; Q8-F12 WeakPolarHBondContact O-CB 3.44Å; Q8-F12 PolarHBondContact O-N 3.02Å
9M72.6Confident73.5Confident120 Ų120124.5 Ų124.559%0.59160%0.599SS**Hα-helixtrans-64.5-41174.8-174.865.274.800111.9H5 S6 M7 F12 L13H5-M9 WeakPolarHBondContact O-CB 3.49Å; H5-M9 PolarHBondContact O-N 3.44Å; S6-M9 PolarHBondContact O-N 3.1Å; M7-M9 VanDerWaalsContact C-N 3.34Å; M7-M9 PolarHBondContact O-N 3.43Å; M9-F12 PolarHBondContact O-N 2.96Å; M9-L13 HydrophobicContact CG-CD1 4.28Å; M9-L13 VanDerWaalsContact O-CG 3.31Å; M9-L13 WeakPolarHBondContact O-CG 3.43Å; M9-L13 PolarHBondContact O-N 3.42Å
10E76.3Confident74.1Confident137 Ų137124.5 Ų124.564%0.6460%0.598SS**Hα-helixtrans-69.2-38.3179.8-166164.6-151.700112.3S6 M7 L13 K14S6-E10 PolarHBondContact O-N 3.49Å; S6-E10 VanDerWaalsContact O-N 3.1Å; M7-E10 PolarHBondContact O-N 3.43Å; E10-L13 PolarHBondContact O-N 3.49Å; E10-K14 WeakPolarHBondContact O-CB 3.31Å; E10-K14 PolarHBondContact O-N 3.49Å
11E78.9Confident74.7Confident118 Ų118124 Ų12455%0.55160%0.595SS**Hα-helixtrans-62.8-42.8170.3-166.1108.7-11900111.5M7 K14 N15M7-E11 WeakPolarHBondContact O-CB 3.41Å; M7-E11 PolarHBondContact O-N 3.14Å; E11-K14 WeakPolarHBondContact O-CB 3.36Å; E11-K14 PolarHBondContact O-N 2.94Å; E11-N15 PolarHBondContact O-N 2.97Å; E11-N15 PolarHBondContact O-ND2 2.78Å
12F81.7Confident76.1Confident136 Ų136122.9 Ų122.960%0.59658%0.583SS**Hα-helixtrans-63.6-44.1177.5-156.3-98.2000111.9Q8 M9 K14 N15 I16Q8-F12 WeakPolarHBondContact O-CB 3.44Å; Q8-F12 PolarHBondContact O-N 3.02Å; M9-F12 PolarHBondContact O-N 2.96Å; F12-K14 VanDerWaalsContact C-N 3.31Å; F12-K14 PolarHBondContact O-N 3.32Å; F12-N15 PolarHBondContact O-N 3.24Å; F12-I16 HydrophobicContact CD1-CD1 3.61Å; F12-I16 HydrophobicContact CD1-CG1 4.25Å; F12-I16 HydrophobicContact CE1-CD1 3.77Å; F12-I16 HydrophobicContact CE1-CG1 4.31Å; F12-I16 WeakPolarHBondContact O-CG1 3.47Å; F12-I16 PolarHBondContact O-N 3.19Å
13L79.7Confident77.6Confident94 Ų94121 Ų12149%0.49257%0.566SS.*Hα-helixtrans-63.3-34.8174.5-71.9169.6000112.7M9 E10 R17M9-L13 HydrophobicContact CG-CD1 4.28Å; M9-L13 VanDerWaalsContact O-CG 3.31Å; M9-L13 WeakPolarHBondContact O-CG 3.43Å; M9-L13 PolarHBondContact O-N 3.42Å; E10-L13 PolarHBondContact O-N 3.49Å; L13-R17 PolarHBondContact O-N 2.89Å; L13-R17 VanDerWaalsContact O-N 3.08Å
14K83.8Confident79Confident126 Ų126114.3 Ų114.355%0.54855%0.55SS.*Hα-helixtrans-67-38.9174.5-167.1179.7-175.6-177.60111.7E10 E11 F12 R17 K18E10-K14 WeakPolarHBondContact O-CB 3.31Å; E10-K14 PolarHBondContact O-N 3.49Å; E11-K14 WeakPolarHBondContact O-CB 3.36Å; E11-K14 PolarHBondContact O-N 2.94Å; F12-K14 VanDerWaalsContact C-N 3.31Å; F12-K14 PolarHBondContact O-N 3.32Å; K14-R17 PolarHBondContact O-N 3.44Å; K14-K18 PolarHBondContact O-N 2.99Å; K14-K18 VanDerWaalsContact O-N 3.14Å
15N84.6Confident79.9Confident84 Ų84115.9 Ų115.945%0.44955%0.552SS.*Hα-helixtrans-71-40.6176-69.3-22000112.2E11 F12 R17 K18 L19E11-N15 PolarHBondContact O-N 2.97Å; E11-N15 PolarHBondContact O-ND2 2.78Å; F12-N15 PolarHBondContact O-N 3.24Å; N15-R17 VanDerWaalsContact C-N 3.32Å; N15-R17 PolarHBondContact O-N 3.36Å; N15-K18 PolarHBondContact O-N 3.02Å; N15-L19 WeakPolarHBondContact O-CB 3.21Å; N15-L19 PolarHBondContact O-N 3.43Å
16I85.6Confident80.6Confident68 Ų68115.2 Ų115.235%0.34955%0.552SS.*Hα-helixtrans-56.4-46.2171.5-71.2166.3000110.7F12 K18 L19 Q20F12-I16 HydrophobicContact CD1-CD1 3.61Å; F12-I16 HydrophobicContact CD1-CG1 4.25Å; F12-I16 HydrophobicContact CE1-CD1 3.77Å; F12-I16 HydrophobicContact CE1-CG1 4.31Å; F12-I16 WeakPolarHBondContact O-CG1 3.47Å; F12-I16 PolarHBondContact O-N 3.19Å; I16-K18 PolarHBondContact O-N 3.36Å; I16-L19 WeakPolarHBondContact O-CB 3.32Å; I16-L19 PolarHBondContact O-N 3.34Å; I16-L19 VanDerWaalsContact O-N 3.14Å; I16-Q20 HydrophobicContact CG2-CG 4.46Å; I16-Q20 WeakPolarHBondContact O-CG 3.43Å; I16-Q20 PolarHBondContact O-N 3.39Å
17R83.1Confident81.5Confident178 Ų178117.2 Ų117.267%0.67255%0.553SS**Hα-helixtrans-63.1-43.4-179.9-167.8179.4-59.6162.15.4112.5L13 K14 N15 L19 Q20 E21L13-R17 PolarHBondContact O-N 2.89Å; L13-R17 VanDerWaalsContact O-N 3.08Å; K14-R17 PolarHBondContact O-N 3.44Å; N15-R17 VanDerWaalsContact C-N 3.32Å; N15-R17 PolarHBondContact O-N 3.36Å; R17-L19 VanDerWaalsContact C-N 3.28Å; R17-L19 PolarHBondContact O-N 3.35Å; R17-Q20 PolarHBondContact O-N 3.32Å; R17-E21 PolarHBondContact O-N 3.48Å
18K85.4Confident82.1Confident125 Ų125113.2 Ų113.254%0.54354%0.541SS..Hα-helixtrans-60.7-37.3173.1-76.6-177.5170.2-170.30112.4K14 N15 I16 E21 R22K14-K18 PolarHBondContact O-N 2.99Å; K14-K18 VanDerWaalsContact O-N 3.14Å; N15-K18 PolarHBondContact O-N 3.02Å; I16-K18 PolarHBondContact O-N 3.36Å; K18-E21 PolarHBondContact O-N 2.9Å; K18-R22 WeakPolarHBondContact O-CG 3.46Å; K18-R22 PolarHBondContact O-N 2.62Å; K18-R22 VanDerWaalsContact O-N 3.09Å
19L84.8Confident82.2Confident116 Ų116113.1 Ų113.161%0.60754%0.54SS*.Hα-helixtrans-69-43.3178.6-163.170.2000111.1N15 I16 R17 E21 R22 V23N15-L19 WeakPolarHBondContact O-CB 3.21Å; N15-L19 PolarHBondContact O-N 3.43Å; I16-L19 WeakPolarHBondContact O-CB 3.32Å; I16-L19 PolarHBondContact O-N 3.34Å; I16-L19 VanDerWaalsContact O-N 3.14Å; R17-L19 VanDerWaalsContact C-N 3.28Å; R17-L19 PolarHBondContact O-N 3.35Å; L19-E21 VanDerWaalsContact C-N 3.33Å; L19-E21 PolarHBondContact O-N 3.21Å; L19-R22 PolarHBondContact O-N 3.23Å; L19-V23 WeakPolarHBondContact O-CG2 3.4Å; L19-V23 PolarHBondContact O-N 3.08Å
20Q84.4Confident82.3Confident123 Ų123111 Ų11158%0.57553%0.534SS*.Hα-helixtrans-58.4-43.6173.2-71.6177.3-51.900111.9I16 R17 R22 V23 T24I16-Q20 HydrophobicContact CG2-CG 4.46Å; I16-Q20 WeakPolarHBondContact O-CG 3.43Å; I16-Q20 PolarHBondContact O-N 3.39Å; R17-Q20 PolarHBondContact O-N 3.32Å; Q20-R22 PolarHBondContact O-N 3.41Å; Q20-V23 PolarHBondContact O-N 2.91Å; Q20-T24 PolarHBondContact O-N 3.14Å; Q20-T24 PolarHBondContact O-OG1 3.23Å
21E87.8Confident82.5Confident115 Ų115112.8 Ų112.854%0.53754%0.535SS..Hα-helixtrans-61.8-43.9177.6-167.2163.8-153.400111.7R17 K18 L19 V23 T24 Q25R17-E21 PolarHBondContact O-N 3.48Å; K18-E21 PolarHBondContact O-N 2.9Å; L19-E21 VanDerWaalsContact C-N 3.33Å; L19-E21 PolarHBondContact O-N 3.21Å; E21-V23 PolarHBondContact O-N 2.94Å; E21-T24 PolarHBondContact O-N 3.15Å; E21-T24 PolarHBondContact O-OG1 2.87Å; E21-Q25 WeakPolarHBondContact O-CG 3.45Å; E21-Q25 PolarHBondContact O-N 3.39Å
22R82.9Confident82.2Confident170 Ų170111.2 Ų111.264%0.64253%0.529SS*.Hα-helixtrans-64.3-37.3173.5-71.8-176.570.6159.43.6113.4K18 L19 Q20 Q25 L26K18-R22 WeakPolarHBondContact O-CG 3.46Å; K18-R22 PolarHBondContact O-N 2.62Å; K18-R22 VanDerWaalsContact O-N 3.09Å; L19-R22 PolarHBondContact O-N 3.23Å; Q20-R22 PolarHBondContact O-N 3.41Å; R22-Q25 PolarHBondContact O-N 2.93Å; R22-L26 WeakPolarHBondContact O-CG 3.17Å; R22-L26 PolarHBondContact O-N 3.07Å
23V86.8Confident81.5Confident70 Ų70110 Ų11042%0.42453%0.529SS..Hα-helixtrans-62.9-46.3174.2170.10000110.3L19 Q20 E21 Q25 L26 E27L19-V23 WeakPolarHBondContact O-CG2 3.4Å; L19-V23 PolarHBondContact O-N 3.08Å; Q20-V23 PolarHBondContact O-N 2.91Å; E21-V23 PolarHBondContact O-N 2.94Å; V23-Q25 VanDerWaalsContact C-N 3.29Å; V23-Q25 PolarHBondContact O-N 3.43Å; V23-L26 PolarHBondContact O-N 3.18Å; V23-L26 VanDerWaalsContact O-N 3.17Å; V23-E27 HydrophobicContact CG1-CG 4.36Å; V23-E27 WeakPolarHBondContact O-CG 3.48Å; V23-E27 PolarHBondContact O-N 3.1Å
24T87.3Confident81.1Confident80 Ų80112 Ų11249%0.49154%0.536SS..Hα-helixtrans-64.9-30.9177.755.70000113.7Q20 E21 A28Q20-T24 PolarHBondContact O-N 3.14Å; Q20-T24 PolarHBondContact O-OG1 3.23Å; E21-T24 PolarHBondContact O-N 3.15Å; E21-T24 PolarHBondContact O-OG1 2.87Å; T24-A28 WeakPolarHBondContact O-CB 3.29Å; T24-A28 PolarHBondContact O-N 3.43Å; T24-A28 VanDerWaalsContact O-N 3.15Å
25Q82Confident80.4Confident113 Ų113114 Ų11453%0.52855%0.547SS..Hα-helixtrans-70.6-40.8172.8-73.6173.2-7.900112E21 R22 V23 A28 H29E21-Q25 WeakPolarHBondContact O-CG 3.45Å; E21-Q25 PolarHBondContact O-N 3.39Å; R22-Q25 PolarHBondContact O-N 2.93Å; V23-Q25 VanDerWaalsContact C-N 3.29Å; V23-Q25 PolarHBondContact O-N 3.43Å; Q25-A28 PolarHBondContact O-N 2.88Å; Q25-H29 PolarHBondContact O-N 3.42Å
26L78.4Confident79Confident113 Ų113116.4 Ų116.459%0.59256%0.555SS**Hα-helixtrans-63.2-49.3174.3-75.8167000111R22 V23 A28 H29 T30R22-L26 WeakPolarHBondContact O-CG 3.17Å; R22-L26 PolarHBondContact O-N 3.07Å; V23-L26 PolarHBondContact O-N 3.18Å; V23-L26 VanDerWaalsContact O-N 3.17Å; L26-A28 PolarHBondContact O-N 2.59Å; L26-H29 CarbonylContact O-C 3.58Å; L26-H29 WeakPolarHBondContact O-CA 3.33Å; L26-H29 WeakPolarHBondContact O-CB 3.37Å; L26-H29 PolarHBondContact O-N 3.13Å; L26-T30 PolarHBondContact O-N 3.37Å; L26-T30 PolarHBondContact O-OG1 3.33Å
27E84.3Confident77.5Confident116 Ų116120.8 Ų120.854%0.54257%0.572SS.*Hα-helixtrans-55.4-37.7175.9-71.9174.3169.800112.8V23 R31V23-E27 HydrophobicContact CG1-CG 4.36Å; V23-E27 WeakPolarHBondContact O-CG 3.48Å; V23-E27 PolarHBondContact O-N 3.1Å; E27-R31 PolarHBondContact O-N 2.66Å; E27-R31 VanDerWaalsContact O-N 3.12Å
28A81.6Confident76.3Confident48 Ų48117.4 Ų117.440%0.39757%0.571SS.*Hα-helixtrans-67.5-43.417400000112.3T24 Q25 L26 R31 I32T24-A28 WeakPolarHBondContact O-CB 3.29Å; T24-A28 PolarHBondContact O-N 3.43Å; T24-A28 VanDerWaalsContact O-N 3.15Å; Q25-A28 PolarHBondContact O-N 2.88Å; L26-A28 PolarHBondContact O-N 2.59Å; A28-R31 PolarHBondContact O-N 3Å; A28-I32 WeakPolarHBondContact O-CG1 3.18Å; A28-I32 PolarHBondContact O-N 3.48Å; A28-I32 VanDerWaalsContact O-N 3.08Å
29H74.3Confident74.9Confident125 Ų125117 Ų11758%0.57958%0.575SS**Hα-helixtrans-62.8-41.5173.7-93.7-105.5000112.4Q25 L26 R31 I32 L33Q25-H29 PolarHBondContact O-N 3.42Å; L26-H29 CarbonylContact O-C 3.58Å; L26-H29 WeakPolarHBondContact O-CA 3.33Å; L26-H29 WeakPolarHBondContact O-CB 3.37Å; L26-H29 PolarHBondContact O-N 3.13Å; H29-R31 VanDerWaalsContact C-N 3.33Å; H29-R31 PolarHBondContact O-N 2.97Å; H29-I32 PolarHBondContact O-N 3.48Å; H29-L33 WeakPolarHBondContact O-CG 3.48Å; H29-L33 PolarHBondContact O-N 3.04Å
30T75.4Confident73.1Confident75 Ų75120 Ų12046%0.4658%0.578SS.*Hα-helixtrans-62.4-41.5177.5-32.90000111L26 L33 E34L26-T30 PolarHBondContact O-N 3.37Å; L26-T30 PolarHBondContact O-OG1 3.33Å; T30-L33 PolarHBondContact O-N 3.2Å; T30-E34 WeakPolarHBondContact O-CG 3.49Å; T30-E34 PolarHBondContact O-N 3.05Å
31R78.8Confident71.8Confident176 Ų176118.7 Ų118.766%0.66458%0.578SS**Hα-helixtrans-62.3-42.4174.2-78.4-172.4179.5-170.52.6113.2E27 A28 H29 L33 E34 E35E27-R31 PolarHBondContact O-N 2.66Å; E27-R31 VanDerWaalsContact O-N 3.12Å; A28-R31 PolarHBondContact O-N 3Å; H29-R31 VanDerWaalsContact C-N 3.33Å; H29-R31 PolarHBondContact O-N 2.97Å; R31-L33 VanDerWaalsContact C-N 3.28Å; R31-L33 PolarHBondContact O-N 2.91Å; R31-E34 PolarHBondContact O-N 3.39Å; R31-E35 WeakPolarHBondContact O-CB 3.22Å; R31-E35 WeakPolarHBondContact O-CG 3.34Å; R31-E35 PolarHBondContact O-N 2.98Å
32I74.4Confident70.4Confident84 Ų84115.2 Ų115.243%0.43157%0.573SS.*Hα-helixtrans-62.5-39.4176.5-67.3163.8000110.3A28 H29 E35 Q36A28-I32 WeakPolarHBondContact O-CG1 3.18Å; A28-I32 PolarHBondContact O-N 3.48Å; A28-I32 VanDerWaalsContact O-N 3.08Å; H29-I32 PolarHBondContact O-N 3.48Å; I32-E35 PolarHBondContact O-N 2.94Å; I32-Q36 WeakPolarHBondContact O-CB 3.25Å; I32-Q36 VanDerWaalsContact O-CG 3.31Å; I32-Q36 WeakPolarHBondContact O-CG 3.26Å; I32-Q36 PolarHBondContact O-N 3.37Å
33L65.6Low69Low111 Ų111111.4 Ų111.458%0.58157%0.565SS**Hα-helixtrans-70.5-33.3176.1-69.4168.3000113H29 T30 R31 K37H29-L33 WeakPolarHBondContact O-CG 3.48Å; H29-L33 PolarHBondContact O-N 3.04Å; T30-L33 PolarHBondContact O-N 3.2Å; R31-L33 VanDerWaalsContact C-N 3.28Å; R31-L33 PolarHBondContact O-N 2.91Å; L33-K37 PolarHBondContact O-N 3.42Å
34E71.8Confident67.4Low136 Ų136110.8 Ų110.864%0.63657%0.567SS**Hα-helixtrans-69.4-39.9171.7-74.8-176.5142.900112.1T30 R31 K37T30-E34 WeakPolarHBondContact O-CG 3.49Å; T30-E34 PolarHBondContact O-N 3.05Å; R31-E34 PolarHBondContact O-N 3.39Å; E34-K37 WeakPolarHBondContact O-CB 3.35Å; E34-K37 PolarHBondContact O-N 3.03Å
35E68.9Low65.9Low167 Ų167114.2 Ų114.278%0.7858%0.578SS**Hα-helixtrans-69.6-31.3174.1-73.2-179.6176.200112.4R31 I32 K37R31-E35 WeakPolarHBondContact O-CB 3.22Å; R31-E35 WeakPolarHBondContact O-CG 3.34Å; R31-E35 PolarHBondContact O-N 2.98Å; I32-E35 PolarHBondContact O-N 2.94Å; E35-K37 VanDerWaalsContact C-N 3.28Å; E35-K37 PolarHBondContact O-N 2.78Å
36Q55.3Low64.6Low135 Ų135114.9 Ų114.963%0.63158%0.579SS**THydrogen-bonded Turntrans-82.52172.9-72.7-174.70.200114I32 V38I32-Q36 WeakPolarHBondContact O-CB 3.25Å; I32-Q36 VanDerWaalsContact O-CG 3.31Å; I32-Q36 WeakPolarHBondContact O-CG 3.26Å; I32-Q36 PolarHBondContact O-N 3.37Å; Q36-V38 VanDerWaalsContact C-N 3.32Å; Q36-V38 PolarHBondContact O-N 3.31Å
37K54.3Low63.6Low161 Ų161114.9 Ų114.970%0.758%0.578SS**  trans-71.886.2178-169.9175.5180174.70110.9L33 E34 E35 D39L33-K37 PolarHBondContact O-N 3.42Å; E34-K37 WeakPolarHBondContact O-CB 3.35Å; E34-K37 PolarHBondContact O-N 3.03Å; E35-K37 VanDerWaalsContact C-N 3.28Å; E35-K37 PolarHBondContact O-N 2.78Å; K37-D39 PolarHBondContact O-N 3.49Å
38V57.1Low62.4Low107 Ų107114.2 Ų114.265%0.64859%0.587SS**  trans-52.7131173.5-179.50000110Q36 W40Q36-V38 VanDerWaalsContact C-N 3.32Å; Q36-V38 PolarHBondContact O-N 3.31Å; V38-W40 PolarHBondContact O-N 3.24Å; V38-W40 PolarHBondContact O-NE1 3.5Å
39D56.8Low61Low116 Ų116116.2 Ų116.262%0.6260%0.598SS**  trans-7497.3-178.7-167.3-15.2000110.9K37 T41 G42K37-D39 PolarHBondContact O-N 3.49Å; D39-T41 PolarHBondContact O-N 3.44Å; D39-T41 WeakPolarHBondContact OD1-CB 3.34Å; D39-T41 VanDerWaalsContact OD1-CG2 3.32Å; D39-T41 WeakPolarHBondContact OD1-CG2 3.34Å; D39-T41 PolarHBondContact OD1-N 2.97Å; D39-T41 PolarHBondContact OD1-OG1 3.28Å; D39-T41 PolarHBondContact OD2-OG1 3.09Å; D39-G42 PolarHBondContact O-N 3.5Å
40W47.1Very low59.8Low180 Ų180119.4 Ų119.468%0.68261%0.605SS**THydrogen-bonded Turntrans-60.3-12.1-177.2-64.894.8000114.5V38 G42 L43 A44V38-W40 PolarHBondContact O-N 3.24Å; V38-W40 PolarHBondContact O-NE1 3.5Å; W40-G42 VanDerWaalsContact C-N 3.25Å; W40-G42 PolarHBondContact O-N 2.93Å; W40-L43 HydrophobicContact CE3-CD2 3.81Å; W40-L43 HydrophobicContact CZ3-CD2 3.8Å; W40-L43 PolarHBondContact O-N 3.03Å; W40-A44 PolarHBondContact O-N 2.96Å
41T57.9Low58.5Low95 Ų95119.5 Ų119.558%0.58362%0.621SS**Hα-helixtrans-59.2-34.9175.256.40000112.7D39 Q45D39-T41 PolarHBondContact O-N 3.44Å; D39-T41 WeakPolarHBondContact OD1-CB 3.34Å; D39-T41 VanDerWaalsContact OD1-CG2 3.32Å; D39-T41 WeakPolarHBondContact OD1-CG2 3.34Å; D39-T41 PolarHBondContact OD1-N 2.97Å; D39-T41 PolarHBondContact OD1-OG1 3.28Å; D39-T41 PolarHBondContact OD2-OG1 3.09Å; T41-Q45 PolarHBondContact O-N 3.22Å
42G58Low57Low42 Ų42116.6 Ų116.643%0.43363%0.628SS.*Hα-helixtrans-65.8-37.3176.100000113.3D39 W40 Q45 F46D39-G42 PolarHBondContact O-N 3.5Å; W40-G42 VanDerWaalsContact C-N 3.25Å; W40-G42 PolarHBondContact O-N 2.93Å; G42-Q45 PolarHBondContact O-N 3.3Å; G42-F46 PolarHBondContact O-N 2.87Å
43L51.9Low55.5Low90 Ų90120.2 Ų120.247%0.47165%0.647SS.*Hα-helixtrans-69.2-40.7179.8-162.379.1000111.5W40 Q45 F46 I47W40-L43 HydrophobicContact CE3-CD2 3.81Å; W40-L43 HydrophobicContact CZ3-CD2 3.8Å; W40-L43 PolarHBondContact O-N 3.03Å; L43-Q45 VanDerWaalsContact C-N 3.29Å; L43-Q45 PolarHBondContact O-N 3Å; L43-F46 PolarHBondContact O-N 2.76Å; L43-I47 HydrophobicContact CD2-CD1 4.31Å; L43-I47 HydrophobicContact CG-CD1 4.1Å; L43-I47 WeakPolarHBondContact O-CG1 3.4Å; L43-I47 PolarHBondContact O-N 3.4Å
44A53.2Low54.6Low56 Ų56124.3 Ų124.346%0.46366%0.663SS.*Hα-helixtrans-61.4-37.2176.400000112.5W40 S48W40-A44 PolarHBondContact O-N 2.96Å; A44-S48 WeakPolarHBondContact O-CB 3.48Å; A44-S48 PolarHBondContact O-N 3.33Å; A44-S48 VanDerWaalsContact O-N 3.17Å; A44-S48 PolarHBondContact O-OG 3.45Å
45Q55.9Low53.5Low153 Ų153122.8 Ų122.872%0.71566%0.663SS**Hα-helixtrans-71.2-37.7175.2-162171.336.300111.8T41 G42 L43 S48 S49T41-Q45 PolarHBondContact O-N 3.22Å; G42-Q45 PolarHBondContact O-N 3.3Å; L43-Q45 VanDerWaalsContact C-N 3.29Å; L43-Q45 PolarHBondContact O-N 3Å; Q45-S48 PolarHBondContact O-N 3.48Å; Q45-S49 PolarHBondContact O-N 2.84Å; Q45-S49 VanDerWaalsContact O-N 3.14Å
46F54.8Low52.6Low126 Ų126119.2 Ų119.255%0.55365%0.654SS**Hα-helixtrans-64.7-46.9175.6-162.5-99.5000112.1G42 L43 S48 S49 R50G42-F46 PolarHBondContact O-N 2.87Å; L43-F46 PolarHBondContact O-N 2.76Å; F46-S48 VanDerWaalsContact C-N 3.34Å; F46-S48 PolarHBondContact O-N 3.24Å; F46-S49 PolarHBondContact O-N 3.28Å; F46-S49 VanDerWaalsContact O-N 3.14Å; F46-S49 PolarHBondContact O-OG 2.9Å; F46-R50 PolarHBondContact O-N 2.84Å
47I58.8Low52.5Low113 Ų113115 Ų11558%0.57965%0.647SS**Hα-helixtrans-58.8-44.7176.1-67.4163.8000111L43 S49 R50L43-I47 HydrophobicContact CD2-CD1 4.31Å; L43-I47 HydrophobicContact CG-CD1 4.1Å; L43-I47 WeakPolarHBondContact O-CG1 3.4Å; L43-I47 PolarHBondContact O-N 3.4Å; I47-S49 VanDerWaalsContact C-N 3.25Å; I47-S49 PolarHBondContact O-N 3.02Å; I47-R50 PolarHBondContact O-N 3.5Å
48S59.3Low52.7Low103 Ų103111.2 Ų111.272%0.7264%0.641SS**Hα-helixtrans-64.5-27.7178.2-59.60000113.3A44 Q45 F46 R50A44-S48 WeakPolarHBondContact O-CB 3.48Å; A44-S48 PolarHBondContact O-N 3.33Å; A44-S48 VanDerWaalsContact O-N 3.17Å; A44-S48 PolarHBondContact O-OG 3.45Å; Q45-S48 PolarHBondContact O-N 3.48Å; F46-S48 VanDerWaalsContact C-N 3.34Å; F46-S48 PolarHBondContact O-N 3.24Å; S48-R50 VanDerWaalsContact C-N 3.34Å
49S52.4Low52.4Low89 Ų89111.7 Ų111.762%0.62264%0.638SS**Hα-helixtrans-76.9-18.1178.276.30000114Q45 F46 I47Q45-S49 PolarHBondContact O-N 2.84Å; Q45-S49 VanDerWaalsContact O-N 3.14Å; F46-S49 PolarHBondContact O-N 3.28Å; F46-S49 VanDerWaalsContact O-N 3.14Å; F46-S49 PolarHBondContact O-OG 2.9Å; I47-S49 VanDerWaalsContact C-N 3.25Å; I47-S49 PolarHBondContact O-N 3.02Å
50R47.4Very low52.9Low192 Ų192111.3 Ų111.373%0.72563%0.633SS**THydrogen-bonded Turntrans-11437.2-170.8-128.7-177.6-173.2-1582.2113.3F46 I47 S48 S52F46-R50 PolarHBondContact O-N 2.84Å; I47-R50 PolarHBondContact O-N 3.5Å; S48-R50 VanDerWaalsContact C-N 3.34Å; R50-S52 PolarHBondContact O-N 3.32Å
51G48.3Very low53.8Low78 Ų78107.7 Ų107.780%0.80463%0.627SS**  trans-69.464.9177.400000114.8
52S48.1Very low54.3Low115 Ų115108 Ų10880%0.80462%0.622SS**  trans-171.281.1151.9-1650000111.1R50R50-S52 PolarHBondContact O-N 3.32Å
53L42.5Very low54.9Low160 Ų160110 Ų11084%0.83863%0.626SS**SBendtrans-151.9130.1153.8-151.674.2000107.2V55L53-V55 PolarHBondContact O-N 2.75Å
54E47.8Very low55.9Low196 Ų196110.9 Ų110.992%0.91663%0.627SS**  trans-67.5108.2-179.4-68.1-176146.100109.8
55V47.5Very low57Low104 Ų104114.5 Ų114.563%0.6364%0.635SS**  trans-74.4126.6172.4179.40000108L53 G57 M59L53-V55 PolarHBondContact O-N 2.75Å; V55-G57 PolarHBondContact O-N 3.46Å; V55-M59 HydrophobicContact CG1-CB 4.13Å
56P50.5Low57.6Low92 Ų92113.1 Ų113.160%0.59763%0.628SS**  trans-57.7130177-2534.6000111.3S58 M59P56-S58 PolarHBondContact O-N 2.93Å; P56-M59 PolarHBondContact O-N 2.84Å
57G53.4Low58.5Low47 Ų47112.5 Ų112.549%0.48563%0.627SS.*Hα-helixtrans-52.6-31-172.900000114.7V55 M59 M60 D61V55-G57 PolarHBondContact O-N 3.46Å; G57-M59 PolarHBondContact O-N 2.82Å; G57-M60 WeakPolarHBondContact O-CB 3.41Å; G57-M60 PolarHBondContact O-N 3.05Å; G57-D61 PolarHBondContact O-N 3.48Å
58S58.1Low59.3Low81 Ų81109.6 Ų109.657%0.56662%0.62SS**Hα-helixtrans-54.5-32.5175.1-174.90000114.6P56 Q62P56-S58 PolarHBondContact O-N 2.93Å; S58-Q62 PolarHBondContact O-N 3.28Å
59M51.8Low60.1Low118 Ų118109.1 Ų109.158%0.58161%0.609SS**Hα-helixtrans-77.3-33.5175.8-83-170.2169.400112V55 P56 G57 Q62 V63V55-M59 HydrophobicContact CG1-CB 4.13Å; P56-M59 PolarHBondContact O-N 2.84Å; G57-M59 PolarHBondContact O-N 2.82Å; M59-Q62 PolarHBondContact O-N 3.46Å; M59-V63 WeakPolarHBondContact O-CB 3.45Å; M59-V63 VanDerWaalsContact O-CG2 3.28Å; M59-V63 WeakPolarHBondContact O-CG2 3.38Å; M59-V63 PolarHBondContact O-N 2.81Å
60M65.3Low61.1Low107 Ų107110.9 Ų110.953%0.52761%0.609SS.*Hα-helixtrans-66.4-42.4176-169.568.7-16900110.8G57 V63 Q64G57-M60 WeakPolarHBondContact O-CB 3.41Å; G57-M60 PolarHBondContact O-N 3.05Å; M60-V63 PolarHBondContact O-N 2.86Å; M60-Q64 HydrophobicContact CE-CG 4.4Å; M60-Q64 PolarHBondContact O-N 3.26Å
61D67.4Low62.6Low104 Ų104106.7 Ų106.756%0.55660%0.597SS**Hα-helixtrans-62.8-43.7176-67.5-27.5000111.4G57 Q64 Q65G57-D61 PolarHBondContact O-N 3.48Å; D61-Q64 PolarHBondContact O-N 3.41Å; D61-Q65 WeakPolarHBondContact O-CB 3.44Å; D61-Q65 PolarHBondContact O-N 3.06Å
62Q67.9Low64.2Low103 Ų103107.7 Ų107.748%0.48158%0.584SS.*Hα-helixtrans-61.7-44.1173.4-85.1-178.8-29.500112.4S58 M59 Q64 Q65 H66S58-Q62 PolarHBondContact O-N 3.28Å; M59-Q62 PolarHBondContact O-N 3.46Å; Q62-Q64 PolarHBondContact O-N 3.49Å; Q62-Q65 PolarHBondContact O-N 2.77Å; Q62-H66 PolarHBondContact O-CD2 2.95Å; Q62-H66 VanDerWaalsContact O-CD2 3.22Å; Q62-H66 PolarHBondContact O-N 3.18Å
63V71.1Confident65.7Low84 Ų84108.2 Ų108.251%0.50958%0.577SS.*Hα-helixtrans-63.2-41.4177.6168.90000111.2M59 M60 H66 Q67M59-V63 WeakPolarHBondContact O-CB 3.45Å; M59-V63 VanDerWaalsContact O-CG2 3.28Å; M59-V63 WeakPolarHBondContact O-CG2 3.38Å; M59-V63 PolarHBondContact O-N 2.81Å; M60-V63 PolarHBondContact O-N 2.86Å; V63-H66 PolarHBondContact O-N 3.49Å; V63-Q67 WeakPolarHBondContact O-CB 3.48Å; V63-Q67 PolarHBondContact O-N 3.22Å
64Q71.9Confident67.3Low107 Ų107105.7 Ų105.750%0.556%0.56SS.*Hα-helixtrans-65.8-36.5174.1-79.2-179.8-40.400112.5M60 D61 Q62 Q67 A68M60-Q64 HydrophobicContact CE-CG 4.4Å; M60-Q64 PolarHBondContact O-N 3.26Å; D61-Q64 PolarHBondContact O-N 3.41Å; Q62-Q64 PolarHBondContact O-N 3.49Å; Q64-Q67 PolarHBondContact O-N 2.87Å; Q64-A68 WeakPolarHBondContact O-CB 3.2Å; Q64-A68 PolarHBondContact O-N 2.81Å
65Q77.8Confident68.8Low133 Ų13398.8 Ų98.862%0.62153%0.531SS*.Hα-helixtrans-65.4-44.3174.8-167.7173.213.500111.8D61 Q62 A68 L69D61-Q65 WeakPolarHBondContact O-CB 3.44Å; D61-Q65 PolarHBondContact O-N 3.06Å; Q62-Q65 PolarHBondContact O-N 2.77Å; Q65-A68 PolarHBondContact O-N 3.32Å; Q65-L69 WeakPolarHBondContact O-CG 3.12Å; Q65-L69 PolarHBondContact O-N 2.79Å; Q65-L69 VanDerWaalsContact O-N 3.12Å
66H67.6Low70.1Confident124 Ų12498.7 Ų98.757%0.57452%0.523SS*.Hα-helixtrans-65.1-37.9173.9-81.4-73.2000112.6Q62 V63 L69 M70Q62-H66 PolarHBondContact O-CD2 2.95Å; Q62-H66 VanDerWaalsContact O-CD2 3.22Å; Q62-H66 PolarHBondContact O-N 3.18Å; V63-H66 PolarHBondContact O-N 3.49Å; H66-L69 PolarHBondContact O-N 2.77Å; H66-M70 PolarHBondContact O-N 2.91Å
67Q73Confident71.2Confident112 Ų112100.3 Ų100.352%0.52352%0.523SS..Hα-helixtrans-67.4-38.3177.4-167.9165.47.300112.1V63 Q64 L69 M70 E71V63-Q67 WeakPolarHBondContact O-CB 3.48Å; V63-Q67 PolarHBondContact O-N 3.22Å; Q64-Q67 PolarHBondContact O-N 2.87Å; Q67-L69 VanDerWaalsContact C-N 3.34Å; Q67-M70 PolarHBondContact O-N 3.48Å; Q67-E71 PolarHBondContact O-N 3.18Å; Q67-E71 VanDerWaalsContact O-N 3.13Å
68A75.6Confident72.2Confident53 Ų53102.9 Ų102.944%0.43852%0.522SS..Hα-helixtrans-64.6-36.2172.700000112.7Q64 Q65 N72Q64-A68 WeakPolarHBondContact O-CB 3.2Å; Q64-A68 PolarHBondContact O-N 2.81Å; Q65-A68 PolarHBondContact O-N 3.32Å; A68-N72 PolarHBondContact O-N 3.18Å; A68-N72 VanDerWaalsContact O-N 3.13Å; A68-N72 PolarHBondContact O-ND2 2.89Å
69L77.8Confident73.2Confident93 Ų93104.1 Ų104.149%0.48752%0.518SS..Hα-helixtrans-67-38.6174.6-71.1170.1000112.3Q65 H66 Q67 N72 L73Q65-L69 WeakPolarHBondContact O-CG 3.12Å; Q65-L69 PolarHBondContact O-N 2.79Å; Q65-L69 VanDerWaalsContact O-N 3.12Å; H66-L69 PolarHBondContact O-N 2.77Å; Q67-L69 VanDerWaalsContact C-N 3.34Å; L69-N72 PolarHBondContact O-N 3.42Å; L69-L73 WeakPolarHBondContact O-CG 3.47Å; L69-L73 PolarHBondContact O-N 3.08Å
70M73.4Confident74.1Confident125 Ų125103.6 Ų103.662%0.61652%0.517SS*.Hα-helixtrans-66.3-42175.7-71.7-161.5-59.100112.9H66 Q67 L73 K74H66-M70 PolarHBondContact O-N 2.91Å; Q67-M70 PolarHBondContact O-N 3.48Å; M70-L73 PolarHBondContact O-N 3.48Å; M70-K74 WeakPolarHBondContact O-CB 3.46Å; M70-K74 PolarHBondContact O-N 3.47Å
71E77Confident74.3Confident104 Ų104104.5 Ų104.549%0.48652%0.52SS..Hα-helixtrans-63.1-42.2175.2-72.4-63.9142.900111.3Q67 L73 K74 T75Q67-E71 PolarHBondContact O-N 3.18Å; Q67-E71 VanDerWaalsContact O-N 3.13Å; E71-L73 PolarHBondContact O-N 3.12Å; E71-K74 WeakPolarHBondContact O-CB 3.43Å; E71-K74 PolarHBondContact O-N 2.94Å; E71-T75 WeakPolarHBondContact O-CG2 3.18Å; E71-T75 PolarHBondContact O-N 3.04Å
72N82.2Confident74.5Confident100 Ų100105.9 Ų105.954%0.53552%0.522SS..Hα-helixtrans-59.4-48.9174.3-75.5-27.7000112.1A68 L69 K74 T75 E76A68-N72 PolarHBondContact O-N 3.18Å; A68-N72 VanDerWaalsContact O-N 3.13Å; A68-N72 PolarHBondContact O-ND2 2.89Å; L69-N72 PolarHBondContact O-N 3.42Å; N72-K74 VanDerWaalsContact C-N 3.28Å; N72-K74 PolarHBondContact O-N 3.4Å; N72-T75 PolarHBondContact O-N 3.45Å; N72-T75 VanDerWaalsContact O-N 3.12Å; N72-T75 PolarHBondContact O-OG1 2.93Å; N72-E76 PolarHBondContact O-N 3.33Å
73L80.5Confident74.7Confident125 Ų125105.4 Ų105.465%0.65452%0.522SS*.Hα-helixtrans-58.9-38.8177-79167.5000112.4L69 M70 E71 E76 H77L69-L73 WeakPolarHBondContact O-CG 3.47Å; L69-L73 PolarHBondContact O-N 3.08Å; M70-L73 PolarHBondContact O-N 3.48Å; E71-L73 PolarHBondContact O-N 3.12Å; L73-E76 PolarHBondContact O-N 3.06Å; L73-H77 PolarHBondContact O-N 3.43Å
74K76.4Confident74.3Confident108 Ų108108.5 Ų108.547%0.4753%0.531SS..Hα-helixtrans-63.6-43.4174.8-174.9-176.9169-162.30111.8M70 E71 N72 E76 H77 E78M70-K74 WeakPolarHBondContact O-CB 3.46Å; M70-K74 PolarHBondContact O-N 3.47Å; E71-K74 WeakPolarHBondContact O-CB 3.43Å; E71-K74 PolarHBondContact O-N 2.94Å; N72-K74 VanDerWaalsContact C-N 3.28Å; N72-K74 PolarHBondContact O-N 3.4Å; K74-E76 VanDerWaalsContact C-N 3.32Å; K74-E76 PolarHBondContact O-N 2.94Å; K74-H77 WeakPolarHBondContact O-CB 3.44Å; K74-H77 PolarHBondContact O-N 3.28Å; K74-E78 WeakPolarHBondContact CE-OE1 3.32Å; K74-E78 WeakPolarHBondContact O-CG 3.38Å; K74-E78 PolarHBondContact O-N 3.42Å
75T79Confident74.2Confident51 Ų51108.4 Ų108.431%0.31353%0.534SS..Hα-helixtrans-67.1-28.4175.765.30000113.8E71 N72 K79E71-T75 WeakPolarHBondContact O-CG2 3.18Å; E71-T75 PolarHBondContact O-N 3.04Å; N72-T75 PolarHBondContact O-N 3.45Å; N72-T75 VanDerWaalsContact O-N 3.12Å; N72-T75 PolarHBondContact O-OG1 2.93Å; T75-K79 WeakPolarHBondContact O-CD 3.26Å; T75-K79 WeakPolarHBondContact O-CE 3.24Å; T75-K79 VanDerWaalsContact O-CG 3.26Å; T75-K79 WeakPolarHBondContact O-CG 3.34Å; T75-K79 PolarHBondContact O-N 2.94Å
76E75.1Confident73.8Confident101 Ų101107.1 Ų107.147%0.47253%0.53SS..Hα-helixtrans-73.1-34.8171-67.3-54.9136.800112N72 L73 K74 K79 L80N72-E76 PolarHBondContact O-N 3.33Å; L73-E76 PolarHBondContact O-N 3.06Å; K74-E76 VanDerWaalsContact C-N 3.32Å; K74-E76 PolarHBondContact O-N 2.94Å; E76-K79 PolarHBondContact O-N 2.92Å; E76-K79 IonicContact OE1-NZ 3.49Å; E76-K79 PolarHBondContact OE1-NZ 3.37Å; E76-K79 IonicContact OE2-NZ 2.71Å; E76-L80 PolarHBondContact O-N 3.34Å
77H72.5Confident73.7Confident126 Ų126107 Ų10758%0.58353%0.533SS*.Hα-helixtrans-65.5-43.9174.4-166.751.2000112L73 K74 K79 L80 E81L73-H77 PolarHBondContact O-N 3.43Å; K74-H77 WeakPolarHBondContact O-CB 3.44Å; K74-H77 PolarHBondContact O-N 3.28Å; H77-K79 PolarHBondContact O-N 3.29Å; H77-L80 PolarHBondContact O-N 2.86Å; H77-L80 VanDerWaalsContact O-N 3.1Å; H77-E81 PolarHBondContact O-N 2.96Å
78E75.7Confident73.2Confident101 Ų101103.6 Ų103.647%0.47253%0.528SS..Hα-helixtrans-60.4-31.9174-70.5170.5-173.200112.2K74 H82K74-E78 WeakPolarHBondContact CE-OE1 3.32Å; K74-E78 WeakPolarHBondContact O-CG 3.38Å; K74-E78 PolarHBondContact O-N 3.42Å; E78-H82 PolarHBondContact O-N 2.82Å
79K77.6Confident72.4Confident108 Ų108106.3 Ų106.347%0.4754%0.535SS..Hα-helixtrans-72-37.9173.2-70166-162171.70112.8T75 E76 H77 H82 L83T75-K79 WeakPolarHBondContact O-CD 3.26Å; T75-K79 WeakPolarHBondContact O-CE 3.24Å; T75-K79 VanDerWaalsContact O-CG 3.26Å; T75-K79 WeakPolarHBondContact O-CG 3.34Å; T75-K79 PolarHBondContact O-N 2.94Å; E76-K79 PolarHBondContact O-N 2.92Å; E76-K79 IonicContact OE1-NZ 3.49Å; E76-K79 PolarHBondContact OE1-NZ 3.37Å; E76-K79 IonicContact OE2-NZ 2.71Å; H77-K79 PolarHBondContact O-N 3.29Å; K79-H82 PolarHBondContact O-N 3.24Å; K79-L83 WeakPolarHBondContact O-CG 3.37Å; K79-L83 PolarHBondContact O-N 2.85Å; K79-L83 VanDerWaalsContact O-N 3.13Å
80L71.1Confident71.4Confident107 Ų107108.6 Ų108.656%0.5655%0.547SS*.Hα-helixtrans-65.9-44.7176.7-85.6164.6000111.6E76 H77 H82 L83 E84E76-L80 PolarHBondContact O-N 3.34Å; H77-L80 PolarHBondContact O-N 2.86Å; H77-L80 VanDerWaalsContact O-N 3.1Å; L80-H82 PolarHBondContact O-N 3.26Å; L80-L83 WeakPolarHBondContact O-CB 3.46Å; L80-L83 PolarHBondContact O-N 2.92Å; L80-L83 VanDerWaalsContact O-N 3.09Å; L80-E84 PolarHBondContact O-N 2.98Å
81E70.3Confident70.2Confident126 Ų126110.8 Ų110.859%0.58956%0.558SS**Hα-helixtrans-57.2-40174.6-168.5173.7-158.600111H77 L83 E84 D85H77-E81 PolarHBondContact O-N 2.96Å; E81-L83 PolarHBondContact O-N 3.4Å; E81-E84 PolarHBondContact O-N 3.5Å; E81-D85 PolarHBondContact O-N 2.98Å
82H70.8Confident69Low132 Ų132111.4 Ų111.461%0.61157%0.568SS**Hα-helixtrans-71.2-26.8177.7-145.937.6000114.3E78 K79 L80 M86E78-H82 PolarHBondContact O-N 2.82Å; K79-H82 PolarHBondContact O-N 3.24Å; L80-H82 PolarHBondContact O-N 3.26Å; H82-M86 PolarHBondContact O-N 3.04Å
83L71.7Confident67.1Low93 Ų93115.1 Ų115.149%0.48758%0.583SS.*Hα-helixtrans-74.4-37.5171.2-73168.4000111.6K79 L80 E81 M86 L87K79-L83 WeakPolarHBondContact O-CG 3.37Å; K79-L83 PolarHBondContact O-N 2.85Å; K79-L83 VanDerWaalsContact O-N 3.13Å; L80-L83 WeakPolarHBondContact O-CB 3.46Å; L80-L83 PolarHBondContact O-N 2.92Å; L80-L83 VanDerWaalsContact O-N 3.09Å; E81-L83 PolarHBondContact O-N 3.4Å; L83-M86 HydrophobicContact CD2-CE 3.75Å; L83-M86 PolarHBondContact O-N 3.37Å; L83-L87 PolarHBondContact O-N 3.21Å; L83-L87 VanDerWaalsContact O-N 3.08Å
84E64.4Low65.4Low149 Ų149118 Ų11870%0.69659%0.593SS**Hα-helixtrans-65.5-41.3176.8-165.6162.6-156.100111.2L80 E81 M86 L87 G88L80-E84 PolarHBondContact O-N 2.98Å; E81-E84 PolarHBondContact O-N 3.5Å; E84-M86 PolarHBondContact O-N 2.82Å; E84-L87 PolarHBondContact O-N 3.36Å; E84-G88 PolarHBondContact O-N 3.23Å
85D68.9Low64.1Low105 Ų105120.7 Ų120.756%0.56161%0.609SS**Hα-helixtrans-60.4-39.8172.7-1209.5000112.4E81 G88 N89E81-D85 PolarHBondContact O-N 2.98Å; D85-G88 PolarHBondContact O-N 2.88Å; D85-N89 PolarHBondContact O-N 3.3Å; D85-N89 VanDerWaalsContact O-N 3.12Å; D85-N89 PolarHBondContact O-ND2 3.41Å
86M69.3Low62.5Low106 Ų106121 Ų12152%0.52262%0.622SS.*Hα-helixtrans-67.3-38.6175.2-76.5-163.3-65.400112.5H82 L83 E84 N89 L90H82-M86 PolarHBondContact O-N 3.04Å; L83-M86 HydrophobicContact CD2-CE 3.75Å; L83-M86 PolarHBondContact O-N 3.37Å; E84-M86 PolarHBondContact O-N 2.82Å; M86-N89 PolarHBondContact O-N 3.29Å; M86-L90 VanDerWaalsContact O-CD1 3.29Å; M86-L90 WeakPolarHBondContact O-CD1 3.46Å; M86-L90 PolarHBondContact O-N 2.91Å
87L65.5Low60.9Low122 Ų122122.3 Ų122.364%0.63964%0.642SS**Hα-helixtrans-67.3-39.7175.1-82.3160.8000112.2L83 E84 N89 L90 M91L83-L87 PolarHBondContact O-N 3.21Å; L83-L87 VanDerWaalsContact O-N 3.08Å; E84-L87 PolarHBondContact O-N 3.36Å; L87-N89 VanDerWaalsContact C-N 3.3Å; L87-N89 PolarHBondContact O-N 2.87Å; L87-L90 PolarHBondContact O-N 2.79Å; L87-M91 PolarHBondContact O-N 3.05Å
88G61.7Low59.8Low41 Ų41119.5 Ų119.542%0.42364%0.637SS.*Hα-helixtrans-59-39.7173.400000112.7E84 D85 M91E84-G88 PolarHBondContact O-N 3.23Å; D85-G88 PolarHBondContact O-N 2.88Å; G88-M91 PolarHBondContact O-N 2.79Å
89N58.6Low58.6Low109 Ų109118.8 Ų118.858%0.58364%0.636SS**Hα-helixtrans-66.6-36.5177.2-78.2-62.1000113.2D85 M86 L87 M91 T92D85-N89 PolarHBondContact O-N 3.3Å; D85-N89 VanDerWaalsContact O-N 3.12Å; D85-N89 PolarHBondContact O-ND2 3.41Å; M86-N89 PolarHBondContact O-N 3.29Å; L87-N89 VanDerWaalsContact C-N 3.3Å; L87-N89 PolarHBondContact O-N 2.87Å; N89-M91 VanDerWaalsContact C-N 3.33Å; N89-M91 PolarHBondContact O-N 3.04Å; N89-T92 PolarHBondContact O-OG1 2.69Å
90L57.4Low57.3Low141 Ų141117.4 Ų117.474%0.73864%0.644SS**Hα-helixtrans-66.8-29.8176.3-94.380.6000113.6M86 L87 T92M86-L90 VanDerWaalsContact O-CD1 3.29Å; M86-L90 WeakPolarHBondContact O-CD1 3.46Å; M86-L90 PolarHBondContact O-N 2.91Å; L87-L90 PolarHBondContact O-N 2.79Å; L90-T92 PolarHBondContact O-N 2.91Å
91M48.9Very low56.4Low172 Ų172118.6 Ų118.685%0.84765%0.651SS**THydrogen-bonded Turntrans-68.8-9.7-178.9-93.8-76.1-16500114.7L87 G88 N89L87-M91 PolarHBondContact O-N 3.05Å; G88-M91 PolarHBondContact O-N 2.79Å; N89-M91 VanDerWaalsContact C-N 3.33Å; N89-M91 PolarHBondContact O-N 3.04Å
92T50.5Low55.7Low116 Ų116118.2 Ų118.271%0.71265%0.649SS**THydrogen-bonded Turntrans-97.91.7-169.562.30000115.7N89 L90N89-T92 PolarHBondContact O-OG1 2.69Å; L90-T92 PolarHBondContact O-N 2.91Å
93Q44.3Very low55.1Low178 Ų178116.7 Ų116.783%0.83265%0.645SS**  trans-119.785.2-170.2-161.8162.668.300114.3
94E43.6Very low54.7Low187 Ų187116.1 Ų116.187%0.87464%0.642SS**  trans-71.4156.6161-67.2-174.115200111.5
95M49Very low54.9Low164 Ų164111.3 Ų111.381%0.80863%0.625SS**  cis-166.8145.7-30.5-175.8173.5-154.700107.3I99M95-I99 HydrophobicContact CE-CD1 4.45Å
96G45.1Very low54.9Low57 Ų57108.8 Ų108.859%0.58862%0.619SS**  trans139.6141.1153.300000118.2S98G96-S98 PolarHBondContact O-N 3.38Å
97S41.7Very low55.1Low128 Ų128108.1 Ų108.190%0.89562%0.616SS**SBendtrans73.71.1168-157.40000119.6
98S50.4Low55.7Low67 Ų67108.1 Ų108.147%0.46961%0.611SS.*  trans-122.589.1156.6-172.80000108.1G96 H102G96-S98 PolarHBondContact O-N 3.38Å; S98-H102 VanDerWaalsContact O-CB 3.25Å; S98-H102 WeakPolarHBondContact O-CB 3.34Å
99I50.5Low56.5Low87 Ų87110.2 Ų110.245%0.44661%0.613SS.*  trans-122.6-38.6-172.7-63.4177000111.2M95 L103M95-I99 HydrophobicContact CE-CD1 4.45Å; I99-L103 HydrophobicContact CG2-CD1 3.7Å; I99-L103 WeakPolarHBondContact O-CB 3.41Å; I99-L103 WeakPolarHBondContact O-CD1 3.22Å; I99-L103 PolarHBondContact O-N 3.15Å
100A48.8Very low57.5Low78 Ų78110 Ų11065%0.64561%0.611SS**Hα-helixtrans-70.4-57.5179.600000112.2H102 L103 D104A100-H102 PolarHBondContact O-N 3.33Å; A100-L103 PolarHBondContact O-N 2.88Å; A100-D104 PolarHBondContact O-N 3.17Å
101D53.5Low58.4Low132 Ų132107.3 Ų107.371%0.70660%0.6SS**Hα-helixtrans-65.4-29.5178-57.2-44.8000111.8D104 S105D101-D104 PolarHBondContact O-N 2.96Å; D101-S105 WeakPolarHBondContact O-CB 3.3Å; D101-S105 PolarHBondContact O-N 3.37Å
102H56Low60.1Low118 Ų118104.2 Ų104.255%0.54658%0.584SS.*Hα-helixtrans-77.6-34179-129.1-31.2000112.9S98 A100 A106S98-H102 VanDerWaalsContact O-CB 3.25Å; S98-H102 WeakPolarHBondContact O-CB 3.34Å; A100-H102 PolarHBondContact O-N 3.33Å; H102-A106 WeakPolarHBondContact O-CB 3.4Å; H102-A106 PolarHBondContact O-N 2.68Å
103L58.1Low61.6Low100 Ų100104.1 Ų104.152%0.52458%0.575SS.*Hα-helixtrans-68.1-40.2167.1-10288.6000111.2I99 A100 S105 A106 I107I99-L103 HydrophobicContact CG2-CD1 3.7Å; I99-L103 WeakPolarHBondContact O-CB 3.41Å; I99-L103 WeakPolarHBondContact O-CD1 3.22Å; I99-L103 PolarHBondContact O-N 3.15Å; A100-L103 PolarHBondContact O-N 2.88Å; L103-S105 VanDerWaalsContact C-N 3.33Å; L103-A106 PolarHBondContact O-N 3.41Å; L103-I107 VanDerWaalsContact O-CB 3.29Å; L103-I107 WeakPolarHBondContact O-CB 3.39Å; L103-I107 WeakPolarHBondContact O-CD1 3.49Å; L103-I107 WeakPolarHBondContact O-CG1 3.49Å; L103-I107 PolarHBondContact O-N 3.46Å
104D61.8Low63.3Low81 Ų8198.6 Ų98.643%0.43355%0.554SS.*Hα-helixtrans-69.7-32.3179.4-16253.2000111.6A100 D101 K108A100-D104 PolarHBondContact O-N 3.17Å; D101-D104 PolarHBondContact O-N 2.96Å; D104-K108 VanDerWaalsContact O-CD 3.3Å; D104-K108 WeakPolarHBondContact O-CD 3.39Å; D104-K108 VanDerWaalsContact O-CG 3.22Å; D104-K108 WeakPolarHBondContact O-CG 3.29Å; D104-K108 PolarHBondContact O-N 3.47Å; D104-K108 VanDerWaalsContact OD2-CE 3.26Å; D104-K108 WeakPolarHBondContact OD2-CE 3.42Å; D104-K108 IonicContact OD2-NZ 2.85Å; D104-K108 PolarHBondContact OD2-NZ 3.01Å
105S68.9Low65.1Low49 Ų4992.2 Ų92.234%0.34353%0.53SS..Hα-helixtrans-64.9-53.5165.1-165.40000111.1D101 L103 I107 K108 D109D101-S105 WeakPolarHBondContact O-CB 3.3Å; D101-S105 PolarHBondContact O-N 3.37Å; L103-S105 VanDerWaalsContact C-N 3.33Å; S105-I107 VanDerWaalsContact C-N 3.27Å; S105-I107 PolarHBondContact O-N 3.24Å; S105-K108 CarbonylContact O-C 3.6Å; S105-K108 WeakPolarHBondContact O-CA 3.43Å; S105-K108 WeakPolarHBondContact O-CB 3.42Å; S105-K108 PolarHBondContact O-N 3Å; S105-D109 VanDerWaalsContact O-CG 3.24Å; S105-D109 PolarHBondContact O-N 3.3Å; S105-D109 VanDerWaalsContact O-OD2 3.09Å; S105-D109 PolarHBondContact OG-OD2 3.44Å
106A70Confident66.9Low51 Ų5188.4 Ų88.442%0.42151%0.513SS..Hα-helixtrans-62.9-31-177.300000113.1H102 L103 L110H102-A106 WeakPolarHBondContact O-CB 3.4Å; H102-A106 PolarHBondContact O-N 2.68Å; L103-A106 PolarHBondContact O-N 3.41Å; A106-L110 WeakPolarHBondContact O-CB 3.48Å; A106-L110 PolarHBondContact O-N 2.96Å
107I73.7Confident68.8Low92 Ų9291.3 Ų91.347%0.47251%0.514SS..Hα-helixtrans-70.6-37.8172.6-71.5164.3000110.5L103 S105 T111L103-I107 VanDerWaalsContact O-CB 3.29Å; L103-I107 WeakPolarHBondContact O-CB 3.39Å; L103-I107 WeakPolarHBondContact O-CD1 3.49Å; L103-I107 WeakPolarHBondContact O-CG1 3.49Å; L103-I107 PolarHBondContact O-N 3.46Å; S105-I107 VanDerWaalsContact C-N 3.27Å; S105-I107 PolarHBondContact O-N 3.24Å; I107-T111 VanDerWaalsContact O-CB 3.25Å; I107-T111 WeakPolarHBondContact O-CB 3.45Å; I107-T111 PolarHBondContact O-N 3.2Å; I107-T111 PolarHBondContact O-OG1 2.95Å
108K77.8Confident70.8Confident122 Ų12293.5 Ų93.553%0.5350%0.503SS..Hα-helixtrans-68-44.7172.8-72164.3-163.81600111.5D104 S105 L110 T111 Q112D104-K108 VanDerWaalsContact O-CD 3.3Å; D104-K108 WeakPolarHBondContact O-CD 3.39Å; D104-K108 VanDerWaalsContact O-CG 3.22Å; D104-K108 WeakPolarHBondContact O-CG 3.29Å; D104-K108 PolarHBondContact O-N 3.47Å; D104-K108 VanDerWaalsContact OD2-CE 3.26Å; D104-K108 WeakPolarHBondContact OD2-CE 3.42Å; D104-K108 IonicContact OD2-NZ 2.85Å; D104-K108 PolarHBondContact OD2-NZ 3.01Å; S105-K108 CarbonylContact O-C 3.6Å; S105-K108 WeakPolarHBondContact O-CA 3.43Å; S105-K108 WeakPolarHBondContact O-CB 3.42Å; S105-K108 PolarHBondContact O-N 3Å; K108-L110 PolarHBondContact O-N 3.4Å; K108-T111 CarbonylContact O-C 3.58Å; K108-T111 PolarHBondContact O-N 3.27Å; K108-Q112 WeakPolarHBondContact O-CB 3.43Å; K108-Q112 PolarHBondContact O-N 3.29Å
109D78.8Confident72.6Confident86 Ų8694 Ų9446%0.4651%0.507SS..Hα-helixtrans-62.3-42.1176.4-62.4-37.1000110.8S105 Q112 Q113S105-D109 VanDerWaalsContact O-CG 3.24Å; S105-D109 PolarHBondContact O-N 3.3Å; S105-D109 VanDerWaalsContact O-OD2 3.09Å; S105-D109 PolarHBondContact OG-OD2 3.44Å; D109-Q112 PolarHBondContact O-N 2.93Å; D109-Q113 WeakPolarHBondContact O-CB 3.47Å; D109-Q113 WeakPolarHBondContact O-CG 3.44Å; D109-Q113 PolarHBondContact O-N 3.19Å
110L79.4Confident74.2Confident104 Ų10492.6 Ų92.655%0.54550%0.504SS..Hα-helixtrans-68.8-35.4174.5-167.472.4000112A106 K108 Q112 V114A106-L110 WeakPolarHBondContact O-CB 3.48Å; A106-L110 PolarHBondContact O-N 2.96Å; K108-L110 PolarHBondContact O-N 3.4Å; L110-Q112 VanDerWaalsContact C-N 3.33Å; L110-V114 WeakPolarHBondContact O-CB 3.36Å; L110-V114 VanDerWaalsContact O-CG2 3.22Å; L110-V114 WeakPolarHBondContact O-CG2 3.31Å; L110-V114 PolarHBondContact O-N 3.46Å
111T76.4Confident76Confident84 Ų8493.8 Ų93.852%0.51550%0.499SS..Hα-helixtrans-68.6-34.7174.2-58.90000111.3I107 K108 S115I107-T111 VanDerWaalsContact O-CB 3.25Å; I107-T111 WeakPolarHBondContact O-CB 3.45Å; I107-T111 PolarHBondContact O-N 3.2Å; I107-T111 PolarHBondContact O-OG1 2.95Å; K108-T111 CarbonylContact O-C 3.58Å; K108-T111 PolarHBondContact O-N 3.27Å; T111-S115 WeakPolarHBondContact O-CB 3.38Å; T111-S115 PolarHBondContact O-N 2.97Å; T111-S115 PolarHBondContact O-OG 3.46Å
112Q83.4Confident77.7Confident108 Ų10891 Ų9151%0.50549%0.487SS..Hα-helixtrans-67.8-52172.5-170.659.25700110.1K108 D109 L110 V114 S115 D116K108-Q112 WeakPolarHBondContact O-CB 3.43Å; K108-Q112 PolarHBondContact O-N 3.29Å; D109-Q112 PolarHBondContact O-N 2.93Å; L110-Q112 VanDerWaalsContact C-N 3.33Å; Q112-V114 VanDerWaalsContact C-N 3.3Å; Q112-V114 PolarHBondContact O-N 3.14Å; Q112-S115 CarbonylContact O-C 3.56Å; Q112-S115 WeakPolarHBondContact O-CA 3.34Å; Q112-S115 VanDerWaalsContact O-CB 3.31Å; Q112-S115 WeakPolarHBondContact O-CB 3.5Å; Q112-S115 PolarHBondContact O-N 3.49Å; Q112-D116 PolarHBondContact NE2-OD1 2.88Å; Q112-D116 PolarHBondContact O-N 3.4Å
113Q81.8Confident79.2Confident113 Ų11390.7 Ų90.753%0.52849%0.485SS..Hα-helixtrans-56.5-39.3175.1-74.7178-0.600113D109 S115 D116 L117D109-Q113 WeakPolarHBondContact O-CB 3.47Å; D109-Q113 WeakPolarHBondContact O-CG 3.44Å; D109-Q113 PolarHBondContact O-N 3.19Å; Q113-S115 VanDerWaalsContact C-N 3.3Å; Q113-S115 PolarHBondContact O-N 3.12Å; Q113-D116 PolarHBondContact O-N 3.22Å; Q113-L117 VanDerWaalsContact O-CB 3.24Å; Q113-L117 WeakPolarHBondContact O-CB 3.48Å; Q113-L117 VanDerWaalsContact O-CG 3.26Å; Q113-L117 WeakPolarHBondContact O-CG 3.25Å; Q113-L117 PolarHBondContact O-N 2.98Å
114V80.6Confident80.4Confident62 Ų6289.5 Ų89.538%0.37648%0.482SS..Hα-helixtrans-68.2-30.4174.2167.60000111.8L110 Q112 R118L110-V114 WeakPolarHBondContact O-CB 3.36Å; L110-V114 VanDerWaalsContact O-CG2 3.22Å; L110-V114 WeakPolarHBondContact O-CG2 3.31Å; L110-V114 PolarHBondContact O-N 3.46Å; Q112-V114 VanDerWaalsContact C-N 3.3Å; Q112-V114 PolarHBondContact O-N 3.14Å; V114-R118 WeakPolarHBondContact O-CB 3.46Å; V114-R118 WeakPolarHBondContact O-CD 3.42Å; V114-R118 WeakPolarHBondContact O-CG 3.31Å; V114-R118 PolarHBondContact O-N 3.02Å
115S81.8Confident81.5Confident54 Ų5490.9 Ų90.938%0.37849%0.486SS..Hα-helixtrans-74.5-39.9173.6-57.20000111.6T111 Q112 Q113 R118 S119T111-S115 WeakPolarHBondContact O-CB 3.38Å; T111-S115 PolarHBondContact O-N 2.97Å; T111-S115 PolarHBondContact O-OG 3.46Å; Q112-S115 CarbonylContact O-C 3.56Å; Q112-S115 WeakPolarHBondContact O-CA 3.34Å; Q112-S115 VanDerWaalsContact O-CB 3.31Å; Q112-S115 WeakPolarHBondContact O-CB 3.5Å; Q112-S115 PolarHBondContact O-N 3.49Å; Q113-S115 VanDerWaalsContact C-N 3.3Å; Q113-S115 PolarHBondContact O-N 3.12Å; S115-R118 PolarHBondContact O-N 2.91Å; S115-S119 PolarHBondContact O-N 2.69Å
116D86.4Confident82.5Confident83 Ų8394.6 Ų94.644%0.44450%0.498SS..Hα-helixtrans-67.6-43176.8-57.1-23.5000110.6Q112 Q113 R118 S119 S120Q112-D116 PolarHBondContact NE2-OD1 2.88Å; Q112-D116 PolarHBondContact O-N 3.4Å; Q113-D116 PolarHBondContact O-N 3.22Å; D116-R118 VanDerWaalsContact C-N 3.35Å; D116-R118 PolarHBondContact O-N 3.22Å; D116-S119 WeakPolarHBondContact O-CB 3.46Å; D116-S119 PolarHBondContact O-N 2.99Å; D116-S120 WeakPolarHBondContact O-CB 3.38Å; D116-S120 PolarHBondContact O-N 2.86Å
117L84.1Confident83.1Confident118 Ų11897.6 Ų97.662%0.61850%0.503SS*.Hα-helixtrans-62.2-38.2171.3-78.5168.3000112.2Q113 S120 L121Q113-L117 VanDerWaalsContact O-CB 3.24Å; Q113-L117 WeakPolarHBondContact O-CB 3.48Å; Q113-L117 VanDerWaalsContact O-CG 3.26Å; Q113-L117 WeakPolarHBondContact O-CG 3.25Å; Q113-L117 PolarHBondContact O-N 2.98Å; L117-S120 PolarHBondContact O-N 3.28Å; L117-L121 WeakPolarHBondContact O-CB 3.25Å; L117-L121 PolarHBondContact O-N 2.99Å
118R85.2Confident83.5Confident175 Ų17596.7 Ų96.766%0.6650%0.502SS*.Hα-helixtrans-66.2-39.7172.8-80.3170.1175.8-172.4-1112V114 S115 D116 L121 V122V114-R118 WeakPolarHBondContact O-CB 3.46Å; V114-R118 WeakPolarHBondContact O-CD 3.42Å; V114-R118 WeakPolarHBondContact O-CG 3.31Å; V114-R118 PolarHBondContact O-N 3.02Å; S115-R118 PolarHBondContact O-N 2.91Å; D116-R118 VanDerWaalsContact C-N 3.35Å; D116-R118 PolarHBondContact O-N 3.22Å; R118-L121 PolarHBondContact O-N 3.33Å; R118-V122 WeakPolarHBondContact O-CG2 3.47Å; R118-V122 PolarHBondContact O-N 3.3Å
119S87Confident84Confident78 Ų7897.7 Ų97.755%0.54551%0.508SS..Hα-helixtrans-63.8-44.3174.7-166.90000111S115 D116 V122 Q123S115-S119 PolarHBondContact O-N 2.69Å; D116-S119 WeakPolarHBondContact O-CB 3.46Å; D116-S119 PolarHBondContact O-N 2.99Å; S119-V122 PolarHBondContact O-N 3.46Å; S119-Q123 WeakPolarHBondContact O-CB 3.39Å; S119-Q123 PolarHBondContact O-N 2.85Å
120S84.4Confident84.5Confident57 Ų5797.7 Ų97.740%0.39951%0.508SS..Hα-helixtrans-64-38.5175177.40000112D116 L117 Q123 V124D116-S120 WeakPolarHBondContact O-CB 3.38Å; D116-S120 PolarHBondContact O-N 2.86Å; L117-S120 PolarHBondContact O-N 3.28Å; S120-Q123 WeakPolarHBondContact O-CB 3.39Å; S120-Q123 PolarHBondContact O-N 3.47Å; S120-V124 WeakPolarHBondContact O-CG2 3.31Å; S120-V124 PolarHBondContact O-N 3.04Å
121L86.6Confident84.4Confident103 Ų10397.8 Ų97.854%0.53951%0.509SS..Hα-helixtrans-62.4-47.4175.6-159.485.9000111.4L117 R118 Q123 V124 E125L117-L121 WeakPolarHBondContact O-CB 3.25Å; L117-L121 PolarHBondContact O-N 2.99Å; R118-L121 PolarHBondContact O-N 3.33Å; L121-Q123 PolarHBondContact O-N 2.84Å; L121-V124 PolarHBondContact O-N 2.93Å; L121-E125 WeakPolarHBondContact O-CB 3.34Å; L121-E125 WeakPolarHBondContact O-CG 3.31Å; L121-E125 PolarHBondContact O-N 2.96Å
122V90.4Very high84.6Confident73 Ų73100.7 Ų100.744%0.44251%0.514SS..Hα-helixtrans-62.1-34.7175.6171.40000111.4R118 S119 E125 Q126R118-V122 WeakPolarHBondContact O-CG2 3.47Å; R118-V122 PolarHBondContact O-N 3.3Å; S119-V122 PolarHBondContact O-N 3.46Å; V122-E125 PolarHBondContact O-N 3.2Å; V122-Q126 WeakPolarHBondContact O-CG 3.25Å; V122-Q126 PolarHBondContact O-N 2.91Å
123Q87Confident84.7Confident111 Ų111101.4 Ų101.452%0.51952%0.517SS..Hα-helixtrans-70.1-40.4177.1-160.6166.214.500111.8S119 S120 L121 Q126 E127S119-Q123 WeakPolarHBondContact O-CB 3.39Å; S119-Q123 PolarHBondContact O-N 2.85Å; S120-Q123 WeakPolarHBondContact O-CB 3.39Å; S120-Q123 PolarHBondContact O-N 3.47Å; L121-Q123 PolarHBondContact O-N 2.84Å; Q123-Q126 PolarHBondContact O-N 3.03Å; Q123-E127 WeakPolarHBondContact O-CG 3.5Å; Q123-E127 PolarHBondContact O-N 3.41Å
124V82.4Confident84.5Confident75 Ų75101.5 Ų101.546%0.45552%0.516SS..Hα-helixtrans-67.7-38.9172.4170.70000111.5S120 L121 Q126 E127 V128S120-V124 WeakPolarHBondContact O-CG2 3.31Å; S120-V124 PolarHBondContact O-N 3.04Å; L121-V124 PolarHBondContact O-N 2.93Å; V124-Q126 VanDerWaalsContact C-N 3.35Å; V124-E127 PolarHBondContact O-N 3.25Å; V124-V128 HydrophobicContact CG1-CG2 4.42Å; V124-V128 WeakPolarHBondContact O-CB 3.47Å; V124-V128 VanDerWaalsContact O-CG2 3.32Å; V124-V128 WeakPolarHBondContact O-CG2 3.48Å; V124-V128 PolarHBondContact O-N 3.44Å
125E85.9Confident84.1Confident111 Ų111103.8 Ų103.852%0.51952%0.523SS..Hα-helixtrans-59.1-46172.8-75.3171.8163.400110.7L121 V122 V128 E129L121-E125 WeakPolarHBondContact O-CB 3.34Å; L121-E125 WeakPolarHBondContact O-CG 3.31Å; L121-E125 PolarHBondContact O-N 2.96Å; V122-E125 PolarHBondContact O-N 3.2Å; E125-V128 PolarHBondContact O-N 3.38Å; E125-E129 WeakPolarHBondContact O-CB 3.45Å; E125-E129 PolarHBondContact O-N 3.08Å
126Q89.5Confident83.8Confident126 Ų126103.9 Ų103.959%0.58953%0.527SS*.Hα-helixtrans-63.8-38.2174.1-75.9-179.9-10.300113.4V122 Q123 V124 E129 L130V122-Q126 WeakPolarHBondContact O-CG 3.25Å; V122-Q126 PolarHBondContact O-N 2.91Å; Q123-Q126 PolarHBondContact O-N 3.03Å; V124-Q126 VanDerWaalsContact C-N 3.35Å; Q126-E129 PolarHBondContact O-N 2.89Å; Q126-L130 VanDerWaalsContact O-CB 3.31Å; Q126-L130 WeakPolarHBondContact O-CB 3.35Å; Q126-L130 PolarHBondContact O-N 3.19Å
127E83.6Confident83Confident114 Ų114103.1 Ų103.153%0.53352%0.52SS..Hα-helixtrans-68.5-37.4175.6-76.7-177.7-178.600112.4Q123 V124 L130 L131Q123-E127 WeakPolarHBondContact O-CG 3.5Å; Q123-E127 PolarHBondContact O-N 3.41Å; V124-E127 PolarHBondContact O-N 3.25Å; E127-L130 PolarHBondContact O-N 3.11Å; E127-L131 WeakPolarHBondContact O-CB 3.43Å; E127-L131 WeakPolarHBondContact O-CG 3.41Å; E127-L131 PolarHBondContact O-N 2.95Å
128V81Confident82.3Confident73 Ų73100.5 Ų100.544%0.44251%0.512SS..Hα-helixtrans-64.9-41172.8168.40000111V124 E125 L131 K132V124-V128 HydrophobicContact CG1-CG2 4.42Å; V124-V128 WeakPolarHBondContact O-CB 3.47Å; V124-V128 VanDerWaalsContact O-CG2 3.32Å; V124-V128 WeakPolarHBondContact O-CG2 3.48Å; V124-V128 PolarHBondContact O-N 3.44Å; E125-V128 PolarHBondContact O-N 3.38Å; V128-L131 PolarHBondContact O-N 3.43Å; V128-K132 WeakPolarHBondContact O-CG 3.42Å; V128-K132 PolarHBondContact O-N 3.06Å
129E89.2Confident81.5Confident143 Ų14396.2 Ų96.267%0.66850%0.499SS*.Hα-helixtrans-66.7-42.2177.7-150.6156.9-14500111.2E125 Q126 L131 K132 E133E125-E129 WeakPolarHBondContact O-CB 3.45Å; E125-E129 PolarHBondContact O-N 3.08Å; Q126-E129 PolarHBondContact O-N 2.89Å; E129-L131 PolarHBondContact O-N 3.31Å; E129-K132 PolarHBondContact O-N 3.33Å; E129-E133 PolarHBondContact O-N 2.97Å
130L89.5Confident80.8Confident86 Ų8698.4 Ų98.445%0.4550%0.501SS..Hα-helixtrans-62.2-37.6171.2-171.882.6000112.8Q126 E127 K134Q126-L130 VanDerWaalsContact O-CB 3.31Å; Q126-L130 WeakPolarHBondContact O-CB 3.35Å; Q126-L130 PolarHBondContact O-N 3.19Å; E127-L130 PolarHBondContact O-N 3.11Å; L130-K134 WeakPolarHBondContact O-CB 3.45Å; L130-K134 WeakPolarHBondContact O-CG 3.05Å; L130-K134 PolarHBondContact O-N 2.91Å
131L75.9Confident80.3Confident106 Ų106102.4 Ų102.456%0.55551%0.508SS*.Hα-helixtrans-70.4-40177.5-78169.6000111.7E127 V128 E129 E133 K134 Q135E127-L131 WeakPolarHBondContact O-CB 3.43Å; E127-L131 WeakPolarHBondContact O-CG 3.41Å; E127-L131 PolarHBondContact O-N 2.95Å; V128-L131 PolarHBondContact O-N 3.43Å; E129-L131 PolarHBondContact O-N 3.31Å; L131-E133 VanDerWaalsContact C-N 3.34Å; L131-K134 PolarHBondContact O-N 3.19Å; L131-Q135 WeakPolarHBondContact O-CB 3.16Å; L131-Q135 PolarHBondContact O-N 2.94Å
132K81.5Confident79.6Confident146 Ų146100 Ų10064%0.63550%0.503SS*.Hα-helixtrans-59.7-44.4171.6-75.5-177.2175.5-168.70111.6V128 E129 Q135 A136V128-K132 WeakPolarHBondContact O-CG 3.42Å; V128-K132 PolarHBondContact O-N 3.06Å; E129-K132 PolarHBondContact O-N 3.33Å; K132-Q135 PolarHBondContact O-N 2.88Å; K132-A136 PolarHBondContact O-N 3Å
133E84.5Confident78.7Confident122 Ų12298.7 Ų98.757%0.5750%0.499SS*.Hα-helixtrans-65-39.3177.3-165.6172.3-152.600111.9E129 L131 Q137E129-E133 PolarHBondContact O-N 2.97Å; L131-E133 VanDerWaalsContact C-N 3.34Å; E133-Q137 WeakPolarHBondContact O-CB 3.21Å; E133-Q137 VanDerWaalsContact O-CG 3.25Å; E133-Q137 WeakPolarHBondContact O-CG 3.33Å; E133-Q137 PolarHBondContact O-N 3.17Å
134K78.3Confident78.1Confident115 Ų11598 Ų9850%0.550%0.499SS..Hα-helixtrans-66-37.7172.7-76.8173.5-179.8174.60113.4L130 L131 S138L130-K134 WeakPolarHBondContact O-CB 3.45Å; L130-K134 WeakPolarHBondContact O-CG 3.05Å; L130-K134 PolarHBondContact O-N 2.91Å; L131-K134 PolarHBondContact O-N 3.19Å; K134-S138 PolarHBondContact O-N 3.39Å
135Q72.1Confident78Confident110 Ų11099.6 Ų99.651%0.51450%0.501SS..Hα-helixtrans-65.3-50.8176.8179.2177.6-16.600110.3L131 K132 Q137 S138 E139L131-Q135 WeakPolarHBondContact O-CB 3.16Å; L131-Q135 PolarHBondContact O-N 2.94Å; K132-Q135 PolarHBondContact O-N 2.88Å; Q135-Q137 VanDerWaalsContact C-N 3.3Å; Q135-Q137 PolarHBondContact O-N 3.49Å; Q135-S138 WeakPolarHBondContact O-CA 3.41Å; Q135-S138 WeakPolarHBondContact O-CB 3.45Å; Q135-S138 PolarHBondContact O-N 3.15Å; Q135-S138 PolarHBondContact O-OG 3.24Å; Q135-E139 VanDerWaalsContact CG-OE1 3.29Å; Q135-E139 WeakPolarHBondContact CG-OE1 3.17Å; Q135-E139 PolarHBondContact NE2-OE1 2.87Å; Q135-E139 PolarHBondContact O-N 2.88Å
136A74.3Confident77.5Confident56 Ų5696.3 Ų96.346%0.46349%0.487SS..Hα-helixtrans-54.9-45.6175.700000111.7K132 S138 E139 E140K132-A136 PolarHBondContact O-N 3Å; A136-S138 PolarHBondContact O-N 2.95Å; A136-E139 PolarHBondContact O-N 3.36Å; A136-E140 WeakPolarHBondContact O-CB 3.48Å; A136-E140 PolarHBondContact O-N 3.08Å
137Q71.3Confident76.9Confident67 Ų6794.6 Ų94.631%0.31348%0.479SS..Hα-helixtrans-66.7-20.9174.2-69.2176.619.700114E133 Q135 R141E133-Q137 WeakPolarHBondContact O-CB 3.21Å; E133-Q137 VanDerWaalsContact O-CG 3.25Å; E133-Q137 WeakPolarHBondContact O-CG 3.33Å; E133-Q137 PolarHBondContact O-N 3.17Å; Q135-Q137 VanDerWaalsContact C-N 3.3Å; Q135-Q137 PolarHBondContact O-N 3.49Å; Q137-R141 VanDerWaalsContact C-NH1 3.3Å; Q137-R141 VanDerWaalsContact CB-NH1 3.35Å; Q137-R141 WeakPolarHBondContact O-CB 3.33Å; Q137-R141 WeakPolarHBondContact O-CD 3.41Å; Q137-R141 WeakPolarHBondContact O-CG 3.49Å; Q137-R141 PolarHBondContact O-N 3.39Å; Q137-R141 PolarHBondContact O-NH1 3.12Å
138S68.1Low76.8Confident63 Ų6393.7 Ų93.744%0.44148%0.478SS..Hα-helixtrans-80.5-36.4175.174.30000111.7K134 Q135 A136 A142K134-S138 PolarHBondContact O-N 3.39Å; Q135-S138 WeakPolarHBondContact O-CA 3.41Å; Q135-S138 WeakPolarHBondContact O-CB 3.45Å; Q135-S138 PolarHBondContact O-N 3.15Å; Q135-S138 PolarHBondContact O-OG 3.24Å; A136-S138 PolarHBondContact O-N 2.95Å; S138-A142 WeakPolarHBondContact O-CB 3.28Å; S138-A142 PolarHBondContact O-N 2.96Å
139E69.5Low76.8Confident85 Ų8592.4 Ų92.440%0.39747%0.467SS..Hα-helixtrans-70.1-41.7174.3-67.4171.3-161.200111.1Q135 A136 A142 A143Q135-E139 VanDerWaalsContact CG-OE1 3.29Å; Q135-E139 WeakPolarHBondContact CG-OE1 3.17Å; Q135-E139 PolarHBondContact NE2-OE1 2.87Å; Q135-E139 PolarHBondContact O-N 2.88Å; A136-E139 PolarHBondContact O-N 3.36Å; E139-A142 PolarHBondContact O-N 3.02Å; E139-A143 PolarHBondContact O-N 2.83Å
140E71.9Confident76.3Confident124 Ų12486.6 Ų86.658%0.57944%0.44SS*.Hα-helixtrans-57.7-49.2172.6-172.5175.9-15300111.4A136 A142 A143 D144A136-E140 WeakPolarHBondContact O-CB 3.48Å; A136-E140 PolarHBondContact O-N 3.08Å; E140-A142 VanDerWaalsContact C-N 3.28Å; E140-A142 PolarHBondContact O-N 2.89Å; E140-A143 WeakPolarHBondContact O-CB 3.37Å; E140-A143 PolarHBondContact O-N 3.21Å; E140-D144 PolarHBondContact O-N 3.37Å
141R74.1Confident75.8Confident142 Ų14286.1 Ų86.154%0.53644%0.439SS..Hα-helixtrans-63.9-29.7175.9-71.6174.4-160.3110.51.2113.7Q137 H145Q137-R141 VanDerWaalsContact C-NH1 3.3Å; Q137-R141 VanDerWaalsContact CB-NH1 3.35Å; Q137-R141 WeakPolarHBondContact O-CB 3.33Å; Q137-R141 WeakPolarHBondContact O-CD 3.41Å; Q137-R141 WeakPolarHBondContact O-CG 3.49Å; Q137-R141 PolarHBondContact O-N 3.39Å; Q137-R141 PolarHBondContact O-NH1 3.12Å; R141-H145 WeakPolarHBondContact O-CB 3.48Å; R141-H145 PolarHBondContact O-N 3.44Å; R141-H145 VanDerWaalsContact O-N 3.08Å
142A72Confident76.1Confident53 Ų5386.9 Ų86.944%0.43844%0.443SS..Hα-helixtrans-72.8-39.3175.400000111.3S138 E139 E140 H145 L146S138-A142 WeakPolarHBondContact O-CB 3.28Å; S138-A142 PolarHBondContact O-N 2.96Å; E139-A142 PolarHBondContact O-N 3.02Å; E140-A142 VanDerWaalsContact C-N 3.28Å; E140-A142 PolarHBondContact O-N 2.89Å; A142-H145 PolarHBondContact O-N 3.26Å; A142-L146 WeakPolarHBondContact O-CG 3.35Å; A142-L146 PolarHBondContact O-N 2.74Å; A142-L146 VanDerWaalsContact O-N 3.11Å
143A71.2Confident76Confident45 Ų4580.6 Ų80.637%0.37242%0.417SS..Hα-helixtrans-64.2-46.3172.700000111.8E139 E140 H145 L146 Q147E139-A143 PolarHBondContact O-N 2.83Å; E140-A143 WeakPolarHBondContact O-CB 3.37Å; E140-A143 PolarHBondContact O-N 3.21Å; A143-H145 VanDerWaalsContact C-N 3.31Å; A143-H145 PolarHBondContact O-N 3.41Å; A143-L146 PolarHBondContact O-N 2.77Å; A143-Q147 WeakPolarHBondContact O-CB 3.38Å; A143-Q147 PolarHBondContact O-N 3.13Å
144D75.2Confident75.8Confident95 Ų9580.4 Ų80.451%0.50841%0.411SS..Hα-helixtrans-55.8-45.4174-73.7-23.3000111.3E140 L146 Q147 D148E140-D144 PolarHBondContact O-N 3.37Å; D144-L146 PolarHBondContact O-N 3.41Å; D144-Q147 WeakPolarHBondContact O-CB 3.34Å; D144-Q147 PolarHBondContact O-N 3.39Å; D144-D148 PolarHBondContact O-N 2.99Å
145H79.6Confident75.9Confident109 Ų10976.2 Ų76.251%0.50540%0.4SS..Hα-helixtrans-63.9-39.7179.8-174.951.4000113.1R141 A142 A143 Q149R141-H145 WeakPolarHBondContact O-CB 3.48Å; R141-H145 PolarHBondContact O-N 3.44Å; R141-H145 VanDerWaalsContact O-N 3.08Å; A142-H145 PolarHBondContact O-N 3.26Å; A143-H145 VanDerWaalsContact C-N 3.31Å; A143-H145 PolarHBondContact O-N 3.41Å; H145-Q149 PolarHBondContact NE2-NE2 3.5Å; H145-Q149 WeakPolarHBondContact O-CG 3.48Å; H145-Q149 PolarHBondContact O-N 3.38Å
146L75.9Confident76Confident43 Ų4374.5 Ų74.523%0.22540%0.397CS..Hα-helixtrans-68.3-37174.6-71.1172.3000111.5A142 A143 D144 Q149 L150 I241A142-L146 WeakPolarHBondContact O-CG 3.35Å; A142-L146 PolarHBondContact O-N 2.74Å; A142-L146 VanDerWaalsContact O-N 3.11Å; A143-L146 PolarHBondContact O-N 2.77Å; D144-L146 PolarHBondContact O-N 3.41Å; L146-Q149 PolarHBondContact O-N 2.94Å; L146-L150 WeakPolarHBondContact O-CB 3.48Å; L146-L150 PolarHBondContact O-N 2.96Å; L146-I241 HydrophobicContact CD2-CD1 4.44Å
147Q77.1Confident76.2Confident90 Ų9072.5 Ų72.542%0.42138%0.378SS..Hα-helixtrans-64.9-40.8175.7-170.162.649.400111.8A143 D144 L150 N151A143-Q147 WeakPolarHBondContact O-CB 3.38Å; A143-Q147 PolarHBondContact O-N 3.13Å; D144-Q147 WeakPolarHBondContact O-CB 3.34Å; D144-Q147 PolarHBondContact O-N 3.39Å; Q147-L150 PolarHBondContact O-N 3.12Å; Q147-N151 PolarHBondContact O-N 3.42Å; Q147-N151 PolarHBondContact O-ND2 2.97Å; Q147-N151 VanDerWaalsContact O-ND2 3.15Å
148D80.6Confident76.5Confident95 Ų9573.3 Ų73.351%0.50838%0.382SS..Hα-helixtrans-63.8-45174-79.3-17.8000111.8D144 L150 N151 D152D144-D148 PolarHBondContact O-N 2.99Å; D148-L150 PolarHBondContact O-N 3.34Å; D148-N151 PolarHBondContact O-N 3.01Å; D148-D152 PolarHBondContact O-N 3.32Å
149Q81.2Confident77.1Confident45 Ų4576.1 Ų76.121%0.2139%0.392CS..Hα-helixtrans-57.8-38.2174.1-73.9-1756.400112.3H145 L146 L153H145-Q149 PolarHBondContact NE2-NE2 3.5Å; H145-Q149 WeakPolarHBondContact O-CG 3.48Å; H145-Q149 PolarHBondContact O-N 3.38Å; L146-Q149 PolarHBondContact O-N 2.94Å; Q149-L153 WeakPolarHBondContact O-CB 3.49Å; Q149-L153 PolarHBondContact O-N 3.24Å
150L78.1Confident77.4Confident21 Ų2174 Ų7411%0.1139%0.385CS..Hα-helixtrans-71.9-38.3178.8-156.6140.7000111.2L146 Q147 D148 L153 R154 Y198 L201 V205L146-L150 WeakPolarHBondContact O-CB 3.48Å; L146-L150 PolarHBondContact O-N 2.96Å; Q147-L150 PolarHBondContact O-N 3.12Å; D148-L150 PolarHBondContact O-N 3.34Å; L150-L153 PolarHBondContact O-N 3.37Å; L150-R154 WeakPolarHBondContact O-CB 3.21Å; L150-R154 PolarHBondContact O-N 2.85Å; L150-Y198 HydrophobicContact CD2-CE1 4.36Å; L150-Y198 WeakPolarHBondContact CD2-OH 3.45Å; L150-Y198 PolarHBondContact O-OH 3.31Å; L150-L201 HydrophobicContact CD1-CD2 4.48Å; L150-V205 HydrophobicContact CD1-CG2 4.26Å
151N79Confident77.6Confident77 Ų7770.4 Ų70.441%0.41237%0.369SS..Hα-helixtrans-64.3-41.7172.8-69.2-32.6000112.6Q147 D148 R154 G155Q147-N151 PolarHBondContact O-N 3.42Å; Q147-N151 PolarHBondContact O-ND2 2.97Å; Q147-N151 VanDerWaalsContact O-ND2 3.15Å; D148-N151 PolarHBondContact O-N 3.01Å; N151-R154 WeakPolarHBondContact O-CB 3.39Å; N151-R154 PolarHBondContact O-N 2.9Å; N151-G155 PolarHBondContact O-N 3.28Å
152D82.1Confident77.7Confident121 Ų12168.4 Ų68.465%0.64737%0.373SS*.Hα-helixtrans-64.3-45.2176.1-80.9-16.5000111.3D148 R154 G155 T156D148-D152 PolarHBondContact O-N 3.32Å; D152-R154 VanDerWaalsContact C-N 3.33Å; D152-R154 PolarHBondContact O-N 3.33Å; D152-G155 PolarHBondContact O-N 3.36Å; D152-T156 PolarHBondContact O-N 2.9Å
153L79.4Confident77.8Confident15 Ų1568.5 Ų68.58%0.07937%0.37CS..Hα-helixtrans-56.3-47.1172.4-107.8136.3000111.3Q149 L150 G155 T156 L157 Y198 I241 L244 Q245Q149-L153 WeakPolarHBondContact O-CB 3.49Å; Q149-L153 PolarHBondContact O-N 3.24Å; L150-L153 PolarHBondContact O-N 3.37Å; L153-G155 VanDerWaalsContact C-N 3.31Å; L153-G155 PolarHBondContact O-N 2.93Å; L153-T156 PolarHBondContact O-N 3.49Å; L153-T156 PolarHBondContact O-OG1 3.48Å; L153-L157 WeakPolarHBondContact O-CB 3.41Å; L153-L157 PolarHBondContact O-N 2.96Å; L153-Y198 HydrophobicContact CB-CE2 4.25Å; L153-I241 HydrophobicContact CD1-CG2 3.89Å; L153-L244 HydrophobicContact CD2-CB 4.48Å; L153-Q245 HydrophobicContact CD1-CG 4.01Å; L153-Q245 HydrophobicContact CD2-CG 4.45Å; L153-Q245 HydrophobicContact CG-CG 4.42Å
154R80.8Confident77.7Confident118 Ų11867.7 Ų67.745%0.44536%0.359SS..Hα-helixtrans-57-43175.9-166.9-175.8168.8-63.3-18.7112L150 N151 D152 L157 E158L150-R154 WeakPolarHBondContact O-CB 3.21Å; L150-R154 PolarHBondContact O-N 2.85Å; N151-R154 WeakPolarHBondContact O-CB 3.39Å; N151-R154 PolarHBondContact O-N 2.9Å; D152-R154 VanDerWaalsContact C-N 3.33Å; D152-R154 PolarHBondContact O-N 3.33Å; R154-L157 WeakPolarHBondContact O-CB 3.37Å; R154-L157 PolarHBondContact O-N 3.06Å; R154-E158 IonicContact CZ-OE1 2.57Å; R154-E158 IonicContact CZ-OE2 2.68Å; R154-E158 IonicContact NH1-OE1 3.66Å; R154-E158 PolarHBondContact NH1-OE1 3.41Å; R154-E158 IonicContact NH1-OE2 2.86Å; R154-E158 PolarHBondContact NH1-OE2 2.99Å; R154-E158 IonicContact NH2-OE1 2.59Å; R154-E158 PolarHBondContact NH2-OE1 3.47Å; R154-E158 WeakPolarHBondContact O-CG 3.38Å; R154-E158 PolarHBondContact O-N 3.06Å
155G79.4Confident77.5Confident26 Ų2666.8 Ų66.827%0.26836%0.358SS..Hα-helixtrans-62.9-47.4175.700000112.9N151 D152 L153 L157 E158 D159N151-G155 PolarHBondContact O-N 3.28Å; D152-G155 PolarHBondContact O-N 3.36Å; L153-G155 VanDerWaalsContact C-N 3.31Å; L153-G155 PolarHBondContact O-N 2.93Å; G155-L157 VanDerWaalsContact C-N 3.27Å; G155-L157 PolarHBondContact O-N 3.29Å; G155-E158 PolarHBondContact O-N 2.94Å; G155-D159 PolarHBondContact O-N 3.31Å
156T75.9Confident77.1Confident74 Ų7465.4 Ų65.445%0.45436%0.36SS..Hα-helixtrans-62.4-35.2176.163.30000112.4D152 L153 T160D152-T156 PolarHBondContact O-N 2.9Å; L153-T156 PolarHBondContact O-N 3.49Å; L153-T156 PolarHBondContact O-OG1 3.48Å; T156-T160 WeakPolarHBondContact O-CG2 3.3Å; T156-T160 PolarHBondContact O-N 2.81Å; T156-T160 PolarHBondContact O-OG1 3.21Å
157L76.8Confident76.4Confident14 Ų1466.3 Ų66.37%0.07336%0.363CS..Hα-helixtrans-63-50.3173.8-158.181.8000110.6L153 R154 G155 D159 T160 I161 L194 F195L153-L157 WeakPolarHBondContact O-CB 3.41Å; L153-L157 PolarHBondContact O-N 2.96Å; R154-L157 WeakPolarHBondContact O-CB 3.37Å; R154-L157 PolarHBondContact O-N 3.06Å; G155-L157 VanDerWaalsContact C-N 3.27Å; G155-L157 PolarHBondContact O-N 3.29Å; L157-D159 PolarHBondContact O-N 3.3Å; L157-T160 PolarHBondContact O-N 3.39Å; L157-T160 PolarHBondContact O-OG1 2.98Å; L157-I161 HydrophobicContact CD2-CD1 4.41Å; L157-I161 HydrophobicContact CG-CD1 4.11Å; L157-I161 VanDerWaalsContact O-CD1 3.28Å; L157-I161 WeakPolarHBondContact O-CD1 3.31Å; L157-I161 WeakPolarHBondContact O-CG1 3.4Å; L157-I161 PolarHBondContact O-N 3.4Å; L157-L194 HydrophobicContact CD1-CD2 3.48Å; L157-L194 VanDerWaalsContact CD1-CD2 3.48Å; L157-L194 HydrophobicContact CD1-CG 4.14Å; L157-F195 HydrophobicContact CD2-CD1 3.85Å; L157-F195 HydrophobicContact CD2-CE1 3.6Å; L157-F195 HydrophobicContact CG-CE1 4.37Å
158E78.7Confident75.7Confident84 Ų8466 Ų6639%0.39336%0.364SS..Hα-helixtrans-57.2-43.8176.9-74-179.5150.800112.3R154 G155 I161 V162R154-E158 IonicContact CZ-OE1 2.57Å; R154-E158 IonicContact CZ-OE2 2.68Å; R154-E158 IonicContact NH1-OE1 3.66Å; R154-E158 PolarHBondContact NH1-OE1 3.41Å; R154-E158 IonicContact NH1-OE2 2.86Å; R154-E158 PolarHBondContact NH1-OE2 2.99Å; R154-E158 IonicContact NH2-OE1 2.59Å; R154-E158 PolarHBondContact NH2-OE1 3.47Å; R154-E158 WeakPolarHBondContact O-CG 3.38Å; R154-E158 PolarHBondContact O-N 3.06Å; G155-E158 PolarHBondContact O-N 2.94Å; E158-I161 PolarHBondContact O-N 3.37Å; E158-V162 WeakPolarHBondContact O-CG2 3.18Å; E158-V162 PolarHBondContact O-N 3.35Å
159D79.6Confident75Confident122 Ų12265 Ų6565%0.65236%0.364SS*.Hα-helixtrans-63.6-41.7176.4-82.6-20.3000112.9G155 L157 V162 S163G155-D159 PolarHBondContact O-N 3.31Å; L157-D159 PolarHBondContact O-N 3.3Å; D159-V162 PolarHBondContact O-N 2.83Å; D159-S163 WeakPolarHBondContact O-CB 3.23Å; D159-S163 PolarHBondContact O-N 3.25Å
160T76.8Confident73.9Confident42 Ų4266.5 Ų66.526%0.25838%0.38SS..Hα-helixtrans-65-39.4175.560.70000112T156 L157 S163 L164T156-T160 WeakPolarHBondContact O-CG2 3.3Å; T156-T160 PolarHBondContact O-N 2.81Å; T156-T160 PolarHBondContact O-OG1 3.21Å; L157-T160 PolarHBondContact O-N 3.39Å; L157-T160 PolarHBondContact O-OG1 2.98Å; T160-S163 PolarHBondContact O-N 3.22Å; T160-L164 WeakPolarHBondContact O-CB 3.45Å; T160-L164 VanDerWaalsContact O-CG 3.27Å; T160-L164 WeakPolarHBondContact O-CG 3.43Å; T160-L164 PolarHBondContact O-N 3.04Å
161I76.2Confident72.7Confident47 Ų4768.4 Ų68.424%0.24140%0.395CS..Hα-helixtrans-63.6-45.5176.4-64.3155.8000110.9L157 E158 S163 L164 T165 L191 F195L157-I161 HydrophobicContact CD2-CD1 4.41Å; L157-I161 HydrophobicContact CG-CD1 4.11Å; L157-I161 VanDerWaalsContact O-CD1 3.28Å; L157-I161 WeakPolarHBondContact O-CD1 3.31Å; L157-I161 WeakPolarHBondContact O-CG1 3.4Å; L157-I161 PolarHBondContact O-N 3.4Å; E158-I161 PolarHBondContact O-N 3.37Å; I161-S163 PolarHBondContact O-N 2.95Å; I161-L164 PolarHBondContact O-N 2.94Å; I161-T165 VanDerWaalsContact O-CB 3.3Å; I161-T165 WeakPolarHBondContact O-CB 3.48Å; I161-T165 PolarHBondContact O-N 3.17Å; I161-T165 PolarHBondContact O-OG1 2.9Å; I161-L191 HydrophobicContact CG1-CD2 4.4Å; I161-F195 HydrophobicContact CD1-CE1 3.76Å; I161-F195 HydrophobicContact CD1-CZ 3.43Å; I161-F195 VanDerWaalsContact CD1-CZ 3.43Å; I161-F195 HydrophobicContact CG1-CZ 3.94Å
162V76.1Confident71.4Confident100 Ų10071.2 Ų71.261%0.60641%0.409SS*.Hα-helixtrans-62.9-43.2178.4169.90000110.7E158 D159 T165 S166E158-V162 WeakPolarHBondContact O-CG2 3.18Å; E158-V162 PolarHBondContact O-N 3.35Å; D159-V162 PolarHBondContact O-N 2.83Å; V162-T165 PolarHBondContact O-N 2.95Å; V162-S166 WeakPolarHBondContact O-CB 3.33Å; V162-S166 PolarHBondContact O-N 3.43Å
163S73.3Confident70Confident56 Ų5673.4 Ų73.439%0.39242%0.415SS..Hα-helixtrans-59.9-49.2175.6-174.30000112.2D159 T160 I161 T165 S166 Q167D159-S163 WeakPolarHBondContact O-CB 3.23Å; D159-S163 PolarHBondContact O-N 3.25Å; T160-S163 PolarHBondContact O-N 3.22Å; I161-S163 PolarHBondContact O-N 2.95Å; S163-T165 PolarHBondContact O-N 3.43Å; S163-S166 PolarHBondContact O-N 2.96Å; S163-Q167 VanDerWaalsContact O-CG 3.31Å; S163-Q167 WeakPolarHBondContact O-CG 3.41Å; S163-Q167 PolarHBondContact O-N 3.25Å; S163-Q167 VanDerWaalsContact O-N 3.13Å; S163-Q167 PolarHBondContact O-NE2 3.26Å; S163-Q167 PolarHBondContact OG-NE2 3.49Å; S163-Q167 VanDerWaalsContact OG-NE2 3.12Å
164L70.7Confident68.5Low27 Ų2778 Ų7814%0.14144%0.436CS..Hα-helixtrans-64-40.3178.1-71.6168.3000112.3T160 I161 S166 Q167 L168 V187 L191 T255T160-L164 WeakPolarHBondContact O-CB 3.45Å; T160-L164 VanDerWaalsContact O-CG 3.27Å; T160-L164 WeakPolarHBondContact O-CG 3.43Å; T160-L164 PolarHBondContact O-N 3.04Å; I161-L164 PolarHBondContact O-N 2.94Å; L164-S166 PolarHBondContact O-N 3.48Å; L164-Q167 PolarHBondContact O-N 3.38Å; L164-L168 WeakPolarHBondContact O-CG 3.43Å; L164-L168 PolarHBondContact O-N 2.9Å; L164-V187 HydrophobicContact CD1-CG1 4.29Å; L164-V187 HydrophobicContact CD2-CG1 4.02Å; L164-L191 HydrophobicContact CD1-CD1 4.1Å; L164-L191 HydrophobicContact CD1-CD2 4.14Å; L164-T255 HydrophobicContact CD2-CG2 3.89Å
165T71Confident66.8Low77 Ų7781.1 Ų81.147%0.47246%0.456SS..Hα-helixtrans-66.8-38.2-179.9-560000111.8I161 V162 S163 S169I161-T165 VanDerWaalsContact O-CB 3.3Å; I161-T165 WeakPolarHBondContact O-CB 3.48Å; I161-T165 PolarHBondContact O-N 3.17Å; I161-T165 PolarHBondContact O-OG1 2.9Å; V162-T165 PolarHBondContact O-N 2.95Å; S163-T165 PolarHBondContact O-N 3.43Å; T165-S169 WeakPolarHBondContact O-CB 3.41Å; T165-S169 PolarHBondContact O-N 3.02Å; T165-S169 VanDerWaalsContact O-N 3.07Å; T165-S169 PolarHBondContact O-OG 3.32Å
166S71Confident65.3Low80 Ų8085.9 Ų85.956%0.55948%0.48SS*.Hα-helixtrans-62.6-44.1172.6-169.10000111.5V162 S163 L164 S169 S170V162-S166 WeakPolarHBondContact O-CB 3.33Å; V162-S166 PolarHBondContact O-N 3.43Å; S163-S166 PolarHBondContact O-N 2.96Å; L164-S166 PolarHBondContact O-N 3.48Å; S166-S169 WeakPolarHBondContact O-CB 3.43Å; S166-S169 PolarHBondContact O-N 2.76Å; S166-S170 PolarHBondContact O-N 3.41Å; S166-S170 PolarHBondContact O-OG 2.87Å
167Q61.3Low63.9Low62 Ų6289.7 Ų89.729%0.2949%0.493SS..Hα-helixtrans-68.7-39.5-180-69.4175.949.900113.3S163 L164 S169 S170 S171S163-Q167 VanDerWaalsContact O-CG 3.31Å; S163-Q167 WeakPolarHBondContact O-CG 3.41Å; S163-Q167 PolarHBondContact O-N 3.25Å; S163-Q167 VanDerWaalsContact O-N 3.13Å; S163-Q167 PolarHBondContact O-NE2 3.26Å; S163-Q167 PolarHBondContact OG-NE2 3.49Å; S163-Q167 VanDerWaalsContact OG-NE2 3.12Å; L164-Q167 PolarHBondContact O-N 3.38Å; Q167-S169 VanDerWaalsContact C-N 3.3Å; Q167-S169 PolarHBondContact O-N 3.49Å; Q167-S170 WeakPolarHBondContact CA-OG 3.27Å; Q167-S170 PolarHBondContact O-N 3.07Å; Q167-S170 PolarHBondContact O-OG 3.25Å; Q167-S171 WeakPolarHBondContact O-CB 3.2Å; Q167-S171 PolarHBondContact O-N 2.71Å
168L61.6Low62.7Low84 Ų8497.5 Ų97.544%0.4453%0.529SS..Hα-helixtrans-61.8-40.2171.5-75.4169.2000111.3L164 S170 S171 L172L164-L168 WeakPolarHBondContact O-CG 3.43Å; L164-L168 PolarHBondContact O-N 2.9Å; L168-S170 PolarHBondContact O-N 3.5Å; L168-S171 PolarHBondContact O-N 3.43Å; L168-L172 PolarHBondContact O-N 2.99Å
169S67Low61.3Low72 Ų72100.2 Ų100.250%0.50354%0.541SS..Hα-helixtrans-65.9-34.7177.3-57.50000112.7T165 S166 Q167 Q173T165-S169 WeakPolarHBondContact O-CB 3.41Å; T165-S169 PolarHBondContact O-N 3.02Å; T165-S169 VanDerWaalsContact O-N 3.07Å; T165-S169 PolarHBondContact O-OG 3.32Å; S166-S169 WeakPolarHBondContact O-CB 3.43Å; S166-S169 PolarHBondContact O-N 2.76Å; Q167-S169 VanDerWaalsContact C-N 3.3Å; Q167-S169 PolarHBondContact O-N 3.49Å; S169-Q173 PolarHBondContact O-OE1 3.39Å
170S57.3Low60Low77 Ų7796.9 Ų96.954%0.53853%0.531SS..Hα-helixtrans-74.1-36.1171.452.50000113S166 Q167 L168 Q173S166-S170 PolarHBondContact O-N 3.41Å; S166-S170 PolarHBondContact O-OG 2.87Å; Q167-S170 WeakPolarHBondContact CA-OG 3.27Å; Q167-S170 PolarHBondContact O-N 3.07Å; Q167-S170 PolarHBondContact O-OG 3.25Å; L168-S170 PolarHBondContact O-N 3.5Å; S170-Q173 WeakPolarHBondContact O-CB 3.35Å; S170-Q173 PolarHBondContact O-N 2.95Å
171S53.8Low58.8Low61 Ų61102.2 Ų102.243%0.42755%0.551SS.*Hα-helixtrans-72.7-32.7-178.6-1690000113.1Q167 L168 Q173 Q174Q167-S171 WeakPolarHBondContact O-CB 3.2Å; Q167-S171 PolarHBondContact O-N 2.71Å; L168-S171 PolarHBondContact O-N 3.43Å; S171-Q173 PolarHBondContact O-N 3.5Å; S171-Q174 PolarHBondContact O-N 2.97Å
172L51Low57.9Low137 Ų137103.8 Ų103.872%0.71757%0.566SS**THydrogen-bonded Turntrans-67.5-17176.1-106.3112.4000113.6L168 Q174L168-L172 PolarHBondContact O-N 2.99Å; L172-Q174 PolarHBondContact O-N 3.44Å
173Q52Low57.1Low166 Ų166102.8 Ų102.878%0.77656%0.557SS**THydrogen-bonded Turntrans-76.6-9.8175.9-118.169.3-1.700113.3S169 S170 S171S169-Q173 PolarHBondContact O-OE1 3.39Å; S170-Q173 WeakPolarHBondContact O-CB 3.35Å; S170-Q173 PolarHBondContact O-N 2.95Å; S171-Q173 PolarHBondContact O-N 3.5Å
174Q48.5Very low56.7Low111 Ų111102.2 Ų102.252%0.51955%0.553SS.*SBendtrans-135.778-170.9-163.9169.6-20.400109.8S171 L172 V176S171-Q174 PolarHBondContact O-N 2.97Å; L172-Q174 PolarHBondContact O-N 3.44Å; Q174-V176 PolarHBondContact O-N 3.23Å
175E45Very low56.7Low185 Ų185105 Ų10586%0.86457%0.571SS**  trans-58.2121.4173.6-66.8-169.5163.700110.6
176V48.4Very low56.7Low125 Ų125104.7 Ų104.776%0.75856%0.564SS**  trans169.2145.4131.11540000111.2Q174Q174-V176 PolarHBondContact O-N 3.23Å
177E45.3Very low56.9Low155 Ų155101.8 Ų101.872%0.72454%0.543SS*.  trans91.9133.6172-42.7-143.1145.700120.7
178Q51.9Low57.6Low178 Ų178100.4 Ų100.483%0.83255%0.545SS*.Hα-helixtrans-82.2-17-167.5-69.2166.9-74.100114.6F181 S182Q178-F181 WeakPolarHBondContact O-CB 3.43Å; Q178-F181 PolarHBondContact O-N 3.27Å; Q178-S182 PolarHBondContact O-N 3.24Å
179E49.2Very low58.5Low141 Ų141102.6 Ų102.666%0.65955%0.548SS*.Hα-helixtrans-73.9-39.1-178.5-67-164.8160.800112.8F181 S182 N183E179-F181 PolarHBondContact O-N 3.4Å; E179-S182 PolarHBondContact O-N 2.86Å; E179-S182 VanDerWaalsContact O-N 3.14Å; E179-N183 PolarHBondContact O-N 3.25Å
180A51.9Low58.9Low52 Ų52102.4 Ų102.443%0.4354%0.538SS..Hα-helixtrans-59-36.7172.400000111.2S184A180-S184 VanDerWaalsContact O-CB 3.23Å; A180-S184 WeakPolarHBondContact O-CB 3.45Å; A180-S184 PolarHBondContact O-N 3.43Å
181F51.8Low60Low154 Ų15499.9 Ų99.968%0.67552%0.518SS*.Hα-helixtrans-63-43.3175.5-130.6-88.2000112.2Q178 E179 S184 V185Q178-F181 WeakPolarHBondContact O-CB 3.43Å; Q178-F181 PolarHBondContact O-N 3.27Å; E179-F181 PolarHBondContact O-N 3.4Å; F181-S184 PolarHBondContact O-N 2.92Å; F181-V185 HydrophobicContact CD1-CG2 3.94Å; F181-V185 HydrophobicContact CE1-CG2 4.27Å; F181-V185 VanDerWaalsContact O-CB 3.3Å; F181-V185 WeakPolarHBondContact O-CB 3.41Å; F181-V185 WeakPolarHBondContact O-CG2 3.3Å; F181-V185 PolarHBondContact O-N 3.44Å
182S57.7Low61.2Low80 Ų80100.6 Ų100.656%0.55952%0.523SS*.Hα-helixtrans-63.4-44.7-179.9-167.60000112.4Q178 E179 E186Q178-S182 PolarHBondContact O-N 3.24Å; E179-S182 PolarHBondContact O-N 2.86Å; E179-S182 VanDerWaalsContact O-N 3.14Å; S182-E186 PolarHBondContact O-N 2.84Å; S182-E186 VanDerWaalsContact O-N 3.12Å
183N60.1Low62.7Low78 Ų7897.8 Ų97.842%0.41751%0.508SS..Hα-helixtrans-71.8-39.7179.6-68.7-11.8000111.7E179 V185 E186 V187 L258E179-N183 PolarHBondContact O-N 3.25Å; N183-V185 VanDerWaalsContact C-N 3.35Å; N183-V185 PolarHBondContact O-N 3.44Å; N183-E186 PolarHBondContact O-N 3.19Å; N183-V187 WeakPolarHBondContact O-CG2 3.48Å; N183-V187 PolarHBondContact O-N 3.37Å; N183-L258 HydrophobicContact CB-CD1 3.83Å; N183-L258 HydrophobicContact CB-CD2 4.26Å
184S64.9Low64Low45 Ų4590 Ų9032%0.31547%0.472SS..Hα-helixtrans-64.1-37.8175.3-174.50000112.5A180 F181 G188A180-S184 VanDerWaalsContact O-CB 3.23Å; A180-S184 WeakPolarHBondContact O-CB 3.45Å; A180-S184 PolarHBondContact O-N 3.43Å; F181-S184 PolarHBondContact O-N 2.92Å; S184-G188 PolarHBondContact O-N 2.96Å
185V69.8Low65.4Low85 Ų8588.4 Ų88.452%0.51546%0.464SS..Hα-helixtrans-68.4-38.5176.3166.80000111.3F181 N183 G188 R189F181-V185 HydrophobicContact CD1-CG2 3.94Å; F181-V185 HydrophobicContact CE1-CG2 4.27Å; F181-V185 VanDerWaalsContact O-CB 3.3Å; F181-V185 WeakPolarHBondContact O-CB 3.41Å; F181-V185 WeakPolarHBondContact O-CG2 3.3Å; F181-V185 PolarHBondContact O-N 3.44Å; N183-V185 VanDerWaalsContact C-N 3.35Å; N183-V185 PolarHBondContact O-N 3.44Å; V185-G188 PolarHBondContact O-N 2.89Å; V185-R189 WeakPolarHBondContact O-CB 3.48Å; V185-R189 PolarHBondContact O-N 3.32Å
186E71.9Confident67.2Low71 Ų7184.7 Ų84.733%0.33245%0.446SS..Hα-helixtrans-69.1-36.8175.8-179.857.8-165.400112.4S182 N183 R189 K190S182-E186 PolarHBondContact O-N 2.84Å; S182-E186 VanDerWaalsContact O-N 3.12Å; N183-E186 PolarHBondContact O-N 3.19Å; E186-R189 PolarHBondContact O-N 3.01Å; E186-R189 IonicContact OE1-CZ 3.58Å; E186-R189 IonicContact OE1-NE 2.87Å; E186-R189 IonicContact OE1-NH2 2.68Å; E186-R189 PolarHBondContact OE1-NH2 3.39Å; E186-R189 IonicContact OE2-CZ 2.69Å; E186-R189 IonicContact OE2-NE 3.8Å; E186-R189 PolarHBondContact OE2-NE 3.31Å; E186-R189 IonicContact OE2-NH2 3.78Å; E186-R189 PolarHBondContact OE2-NH2 3.12Å; E186-K190 WeakPolarHBondContact O-CG 3.44Å; E186-K190 PolarHBondContact O-N 3.25Å; E186-K190 WeakPolarHBondContact OE1-CE 3.35Å
187V74.2Confident68.6Low19 Ų1981.7 Ų81.712%0.11543%0.426CS..Hα-helixtrans-61.5-45.9169.8170.90000110.5L164 N183 R189 K190 L191 L251 L258L164-V187 HydrophobicContact CD1-CG1 4.29Å; L164-V187 HydrophobicContact CD2-CG1 4.02Å; N183-V187 WeakPolarHBondContact O-CG2 3.48Å; N183-V187 PolarHBondContact O-N 3.37Å; V187-R189 VanDerWaalsContact C-N 3.34Å; V187-R189 PolarHBondContact O-N 2.88Å; V187-K190 PolarHBondContact O-N 3.48Å; V187-L191 WeakPolarHBondContact O-CB 3.44Å; V187-L191 PolarHBondContact O-N 2.78Å; V187-L251 HydrophobicContact CG1-CD1 4.33Å; V187-L258 HydrophobicContact CG2-CD2 4.36Å
188G77Confident70Confident32 Ų3275.4 Ų75.433%0.3340%0.396SS..Hα-helixtrans-59.6-41.4175.300000113.1S184 V185 L191 S192S184-G188 PolarHBondContact O-N 2.96Å; V185-G188 PolarHBondContact O-N 2.89Å; G188-L191 PolarHBondContact O-N 3.32Å; G188-S192 PolarHBondContact O-N 3.43Å; G188-S192 PolarHBondContact O-OG 3.35Å; G188-S192 VanDerWaalsContact O-OG 3.04Å
189R78.8Confident71.5Confident131 Ų13172.9 Ų72.949%0.49438%0.384SS..Hα-helixtrans-65.8-39.5177.3-164.1-168.96873.55.2112.2V185 E186 V187 S192 L193V185-R189 WeakPolarHBondContact O-CB 3.48Å; V185-R189 PolarHBondContact O-N 3.32Å; E186-R189 PolarHBondContact O-N 3.01Å; E186-R189 IonicContact OE1-CZ 3.58Å; E186-R189 IonicContact OE1-NE 2.87Å; E186-R189 IonicContact OE1-NH2 2.68Å; E186-R189 PolarHBondContact OE1-NH2 3.39Å; E186-R189 IonicContact OE2-CZ 2.69Å; E186-R189 IonicContact OE2-NE 3.8Å; E186-R189 PolarHBondContact OE2-NE 3.31Å; E186-R189 IonicContact OE2-NH2 3.78Å; E186-R189 PolarHBondContact OE2-NH2 3.12Å; V187-R189 VanDerWaalsContact C-N 3.34Å; V187-R189 PolarHBondContact O-N 2.88Å; R189-S192 PolarHBondContact O-N 3.21Å; R189-L193 PolarHBondContact O-N 3.09Å; R189-L193 VanDerWaalsContact O-N 3.12Å
190K75.4Confident73Confident67 Ų6771.8 Ų71.829%0.29138%0.379SS..Hα-helixtrans-66.1-42.2173.2-73.5175.7-179.7179.20111.8E186 V187 S192 L193 L194 L251E186-K190 WeakPolarHBondContact O-CG 3.44Å; E186-K190 PolarHBondContact O-N 3.25Å; E186-K190 WeakPolarHBondContact OE1-CE 3.35Å; V187-K190 PolarHBondContact O-N 3.48Å; K190-S192 VanDerWaalsContact C-N 3.34Å; K190-S192 PolarHBondContact O-N 3.08Å; K190-L193 PolarHBondContact O-N 3.1Å; K190-L194 WeakPolarHBondContact O-CB 3.44Å; K190-L194 PolarHBondContact O-N 3.13Å; K190-L251 HydrophobicContact CB-CD1 3.95Å; K190-L251 HydrophobicContact CD-CD1 4.14Å
191L80.6Confident74.4Confident24 Ų2469.6 Ų69.613%0.12636%0.36CS..Hα-helixtrans-60.9-43175.6-156.477.1000111.1I161 L164 V187 G188 L193 L194 F195 L251I161-L191 HydrophobicContact CG1-CD2 4.4Å; L164-L191 HydrophobicContact CD1-CD1 4.1Å; L164-L191 HydrophobicContact CD1-CD2 4.14Å; V187-L191 WeakPolarHBondContact O-CB 3.44Å; V187-L191 PolarHBondContact O-N 2.78Å; G188-L191 PolarHBondContact O-N 3.32Å; L191-L193 PolarHBondContact O-N 3.05Å; L191-L194 WeakPolarHBondContact O-CB 3.31Å; L191-L194 PolarHBondContact O-N 2.67Å; L191-F195 HydrophobicContact CD2-CE2 3.91Å; L191-F195 HydrophobicContact CG-CD2 4.33Å; L191-F195 HydrophobicContact CG-CE2 3.77Å; L191-F195 HydrophobicContact CG-CZ 4.49Å; L191-F195 WeakPolarHBondContact O-CD2 3.29Å; L191-F195 PolarHBondContact O-N 2.72Å; L191-L251 HydrophobicContact CD1-CD2 3.77Å
192S80.5Confident75.7Confident77 Ų7767 Ų6754%0.53835%0.35SS..Hα-helixtrans-60.7-40.4174-580000113.4G188 R189 K190 Q196G188-S192 PolarHBondContact O-N 3.43Å; G188-S192 PolarHBondContact O-OG 3.35Å; G188-S192 VanDerWaalsContact O-OG 3.04Å; R189-S192 PolarHBondContact O-N 3.21Å; K190-S192 VanDerWaalsContact C-N 3.34Å; K190-S192 PolarHBondContact O-N 3.08Å; S192-Q196 PolarHBondContact O-N 2.99Å; S192-Q196 VanDerWaalsContact O-N 3.14Å
193L82.2Confident76.9Confident77 Ų7768.6 Ų68.640%0.40335%0.352SS..Hα-helixtrans-67.3-37.9175.4-175.364.7000111.7R189 K190 L191 Q196 N197R189-L193 PolarHBondContact O-N 3.09Å; R189-L193 VanDerWaalsContact O-N 3.12Å; K190-L193 PolarHBondContact O-N 3.1Å; L191-L193 PolarHBondContact O-N 3.05Å; L193-Q196 PolarHBondContact O-N 3.25Å; L193-N197 VanDerWaalsContact O-CG 3.31Å; L193-N197 PolarHBondContact O-N 3.44Å; L193-N197 PolarHBondContact O-OD1 3.25Å
194L79.1Confident77.7Confident3 Ų367.6 Ų67.62%0.01635%0.349CS..Hα-helixtrans-63-44.7176.9-166.173.6000111.6L157 K190 L191 N197 Y198 L244 E247 L251L157-L194 HydrophobicContact CD1-CD2 3.48Å; L157-L194 VanDerWaalsContact CD1-CD2 3.48Å; L157-L194 HydrophobicContact CD1-CG 4.14Å; K190-L194 WeakPolarHBondContact O-CB 3.44Å; K190-L194 PolarHBondContact O-N 3.13Å; L191-L194 WeakPolarHBondContact O-CB 3.31Å; L191-L194 PolarHBondContact O-N 2.67Å; L194-N197 PolarHBondContact O-N 3.26Å; L194-Y198 WeakPolarHBondContact O-CB 3.32Å; L194-Y198 PolarHBondContact O-N 3.07Å; L194-L244 HydrophobicContact CD1-CD2 3.69Å; L194-L244 HydrophobicContact CG-CD2 4.4Å; L194-E247 HydrophobicContact CD1-CB 4Å; L194-E247 HydrophobicContact CD1-CG 3.76Å; L194-L251 HydrophobicContact CD2-CD2 4.09Å
195F78.4Confident78.4Confident78 Ų7866.9 Ų66.934%0.34234%0.342SS..Hα-helixtrans-59.3-44.9172.1-73.6-65.3000112.2L157 I161 L191 N197 Y198 E199L157-F195 HydrophobicContact CD2-CD1 3.85Å; L157-F195 HydrophobicContact CD2-CE1 3.6Å; L157-F195 HydrophobicContact CG-CE1 4.37Å; I161-F195 HydrophobicContact CD1-CE1 3.76Å; I161-F195 HydrophobicContact CD1-CZ 3.43Å; I161-F195 VanDerWaalsContact CD1-CZ 3.43Å; I161-F195 HydrophobicContact CG1-CZ 3.94Å; L191-F195 HydrophobicContact CD2-CE2 3.91Å; L191-F195 HydrophobicContact CG-CD2 4.33Å; L191-F195 HydrophobicContact CG-CE2 3.77Å; L191-F195 HydrophobicContact CG-CZ 4.49Å; L191-F195 WeakPolarHBondContact O-CD2 3.29Å; L191-F195 PolarHBondContact O-N 2.72Å; F195-N197 VanDerWaalsContact C-N 3.33Å; F195-N197 PolarHBondContact O-N 3.5Å; F195-Y198 WeakPolarHBondContact O-CB 3.41Å; F195-Y198 PolarHBondContact O-N 3Å; F195-Y198 VanDerWaalsContact O-N 3.08Å; F195-E199 PolarHBondContact O-N 3.37Å
196Q82.4Confident79Confident107 Ų10767 Ų6750%0.534%0.34SS..Hα-helixtrans-64.5-36.6-179.2-173.1166.332.700112.6S192 L193 Y198 Q200S192-Q196 PolarHBondContact O-N 2.99Å; S192-Q196 VanDerWaalsContact O-N 3.14Å; L193-Q196 PolarHBondContact O-N 3.25Å; Q196-Y198 VanDerWaalsContact C-N 3.33Å; Q196-Q200 WeakPolarHBondContact O-CG 3.48Å; Q196-Q200 PolarHBondContact O-N 2.85Å
197N76.9Confident79.3Confident62 Ų6268.2 Ų68.233%0.33235%0.349SS..Hα-helixtrans-68.7-33.5172.9-69.2-4000111.8L193 L194 F195 L201 L244L193-N197 VanDerWaalsContact O-CG 3.31Å; L193-N197 PolarHBondContact O-N 3.44Å; L193-N197 PolarHBondContact O-OD1 3.25Å; L194-N197 PolarHBondContact O-N 3.26Å; F195-N197 VanDerWaalsContact C-N 3.33Å; F195-N197 PolarHBondContact O-N 3.5Å; N197-L201 PolarHBondContact O-N 3.23Å; N197-L244 HydrophobicContact CB-CD2 3.9Å
198Y75.6Confident79.3Confident23 Ų2368.5 Ų68.59%0.0935%0.349CS..Hα-helixtrans-70-43.2176.8-160.6-84.1000112.2L150 L153 L194 F195 Q196 Q200 L201 E202L150-Y198 HydrophobicContact CD2-CE1 4.36Å; L150-Y198 WeakPolarHBondContact CD2-OH 3.45Å; L150-Y198 PolarHBondContact O-OH 3.31Å; L153-Y198 HydrophobicContact CB-CE2 4.25Å; L194-Y198 WeakPolarHBondContact O-CB 3.32Å; L194-Y198 PolarHBondContact O-N 3.07Å; F195-Y198 WeakPolarHBondContact O-CB 3.41Å; F195-Y198 PolarHBondContact O-N 3Å; F195-Y198 VanDerWaalsContact O-N 3.08Å; Q196-Y198 VanDerWaalsContact C-N 3.33Å; Y198-Q200 VanDerWaalsContact C-N 3.32Å; Y198-Q200 PolarHBondContact O-N 3.44Å; Y198-L201 WeakPolarHBondContact O-CB 3.48Å; Y198-L201 PolarHBondContact O-N 3.45Å; Y198-E202 WeakPolarHBondContact O-CB 3.35Å; Y198-E202 PolarHBondContact O-N 2.9Å
199E83.2Confident79.2Confident125 Ų12569.8 Ų69.858%0.58435%0.351SS*.Hα-helixtrans-58.7-42.9172.7-72.1179.4159.600111.3F195 L201 E202 D203F195-E199 PolarHBondContact O-N 3.37Å; E199-L201 PolarHBondContact O-N 3.06Å; E199-E202 PolarHBondContact O-N 3.49Å; E199-D203 PolarHBondContact O-N 3.21Å
200Q81.5Confident79.1Confident117 Ų11768.8 Ų68.855%0.54735%0.351SS..Hα-helixtrans-63.4-39.3174.9-75.7-176-6.600112.9Q196 Y198 D203 T204Q196-Q200 WeakPolarHBondContact O-CG 3.48Å; Q196-Q200 PolarHBondContact O-N 2.85Å; Y198-Q200 VanDerWaalsContact C-N 3.32Å; Y198-Q200 PolarHBondContact O-N 3.44Å; Q200-D203 PolarHBondContact O-N 3.14Å; Q200-T204 WeakPolarHBondContact O-CG2 3.43Å; Q200-T204 PolarHBondContact O-N 2.97Å; Q200-T204 PolarHBondContact O-OG1 3.46Å
201L80.3Confident78.7Confident7 Ų769.2 Ų69.24%0.03736%0.355CS..Hα-helixtrans-64.3-46175.4-175.566.2000110.8L150 N197 Y198 E199 D203 T204 V205 V237 A240 I241 L244L150-L201 HydrophobicContact CD1-CD2 4.48Å; N197-L201 PolarHBondContact O-N 3.23Å; Y198-L201 WeakPolarHBondContact O-CB 3.48Å; Y198-L201 PolarHBondContact O-N 3.45Å; E199-L201 PolarHBondContact O-N 3.06Å; L201-D203 VanDerWaalsContact C-N 3.34Å; L201-D203 PolarHBondContact O-N 3.23Å; L201-T204 PolarHBondContact O-N 2.71Å; L201-T204 VanDerWaalsContact O-N 3.12Å; L201-T204 PolarHBondContact O-OG1 2.86Å; L201-V205 WeakPolarHBondContact O-CG2 3.43Å; L201-V205 PolarHBondContact O-N 2.95Å; L201-V237 HydrophobicContact CD1-CB 4.5Å; L201-V237 HydrophobicContact CD1-CG1 4.08Å; L201-V237 HydrophobicContact CD1-CG2 4.46Å; L201-A240 HydrophobicContact CD1-CB 3.85Å; L201-I241 HydrophobicContact CD1-CG1 4.37Å; L201-I241 HydrophobicContact CD2-CG1 3.65Å; L201-L244 HydrophobicContact CB-CD1 4.33Å; L201-L244 HydrophobicContact CD2-CD1 3.71Å
202E78.3Confident77.8Confident98 Ų9873 Ų7346%0.45837%0.372SS..Hα-helixtrans-58.3-43.4176.3-174.2171.4-172.800111.7Y198 E199 T204 V205 N206Y198-E202 WeakPolarHBondContact O-CB 3.35Å; Y198-E202 PolarHBondContact O-N 2.9Å; E199-E202 PolarHBondContact O-N 3.49Å; E202-T204 PolarHBondContact O-N 2.89Å; E202-V205 PolarHBondContact O-N 3.45Å; E202-N206 WeakPolarHBondContact O-CB 3.43Å; E202-N206 PolarHBondContact O-N 3.26Å; E202-N206 PolarHBondContact O-ND2 3.34Å
203D82.8Confident77Confident114 Ų11476.1 Ų76.161%0.6138%0.378SS*.Hα-helixtrans-60.1-42.7173.1-83.7-20.9000112.5E199 Q200 L201 N206 L207E199-D203 PolarHBondContact O-N 3.21Å; Q200-D203 PolarHBondContact O-N 3.14Å; L201-D203 VanDerWaalsContact C-N 3.34Å; L201-D203 PolarHBondContact O-N 3.23Å; D203-N206 PolarHBondContact O-N 3.31Å; D203-L207 WeakPolarHBondContact O-CB 3.44Å; D203-L207 PolarHBondContact O-N 3.4Å
204T77.1Confident75.9Confident57 Ų5777.3 Ų77.335%0.3538%0.381SS..Hα-helixtrans-68.2-38.5177.958.60000113.1Q200 L201 E202 L207 L208Q200-T204 WeakPolarHBondContact O-CG2 3.43Å; Q200-T204 PolarHBondContact O-N 2.97Å; Q200-T204 PolarHBondContact O-OG1 3.46Å; L201-T204 PolarHBondContact O-N 2.71Å; L201-T204 VanDerWaalsContact O-N 3.12Å; L201-T204 PolarHBondContact O-OG1 2.86Å; E202-T204 PolarHBondContact O-N 2.89Å; T204-L207 WeakPolarHBondContact O-CB 3.31Å; T204-L207 PolarHBondContact O-N 3.23Å; T204-L208 PolarHBondContact O-N 2.86Å
205V80.4Confident74.7Confident30 Ų3079.5 Ų79.518%0.18241%0.405CS..Hα-helixtrans-66.6-43.1175.3172.30000110.5L150 L201 E202 L207 L208 V209 V237L150-V205 HydrophobicContact CD1-CG2 4.26Å; L201-V205 WeakPolarHBondContact O-CG2 3.43Å; L201-V205 PolarHBondContact O-N 2.95Å; E202-V205 PolarHBondContact O-N 3.45Å; V205-L207 VanDerWaalsContact C-N 3.29Å; V205-L207 PolarHBondContact O-N 3.23Å; V205-L208 WeakPolarHBondContact O-CB 3.32Å; V205-L208 PolarHBondContact O-N 3.44Å; V205-L208 VanDerWaalsContact O-N 3.13Å; V205-V209 HydrophobicContact CG1-CG2 4.49Å; V205-V209 WeakPolarHBondContact O-CG2 3.37Å; V205-V209 PolarHBondContact O-N 3.32Å; V205-V237 HydrophobicContact CG2-CG1 3.96Å; V205-V237 HydrophobicContact CG2-CG2 4.4Å
206N81.9Confident73.4Confident88 Ų8880.6 Ų80.647%0.47143%0.428SS..Hα-helixtrans-59.7-38.6174.1-80.2-49.7000112.3E202 D203 Q210E202-N206 WeakPolarHBondContact O-CB 3.43Å; E202-N206 PolarHBondContact O-N 3.26Å; E202-N206 PolarHBondContact O-ND2 3.34Å; D203-N206 PolarHBondContact O-N 3.31Å; N206-Q210 WeakPolarHBondContact O-CB 3.22Å; N206-Q210 PolarHBondContact O-N 2.96Å
207L79.7Confident72Confident97 Ų9779.7 Ų79.751%0.50844%0.439SS..Hα-helixtrans-65.2-39.2174.8-168.570.9000112.1D203 T204 V205 Q210 Q211D203-L207 WeakPolarHBondContact O-CB 3.44Å; D203-L207 PolarHBondContact O-N 3.4Å; T204-L207 WeakPolarHBondContact O-CB 3.31Å; T204-L207 PolarHBondContact O-N 3.23Å; V205-L207 VanDerWaalsContact C-N 3.29Å; V205-L207 PolarHBondContact O-N 3.23Å; L207-Q210 PolarHBondContact O-N 3.28Å; L207-Q211 WeakPolarHBondContact O-CB 3.39Å; L207-Q211 PolarHBondContact O-N 2.92Å
208L72.9Confident70.8Confident25 Ų2585.4 Ų85.413%0.13146%0.456CS..Hα-helixtrans-66.5-47.9178.9-150.1159.7000111.1T204 V205 Q210 Q211 Q212 L233 V234 V237T204-L208 PolarHBondContact O-N 2.86Å; V205-L208 WeakPolarHBondContact O-CB 3.32Å; V205-L208 PolarHBondContact O-N 3.44Å; V205-L208 VanDerWaalsContact O-N 3.13Å; L208-Q210 VanDerWaalsContact C-N 3.33Å; L208-Q210 PolarHBondContact O-N 3.48Å; L208-Q211 PolarHBondContact O-N 3.02Å; L208-Q212 PolarHBondContact O-N 2.84Å; L208-L233 HydrophobicContact CB-CD2 4.16Å; L208-L233 HydrophobicContact CD1-CB 4.01Å; L208-L233 HydrophobicContact CD1-CD2 4Å; L208-L233 HydrophobicContact CD1-CG 4.16Å; L208-L233 HydrophobicContact CG-CD2 3.95Å; L208-V234 HydrophobicContact CD1-CG2 3.86Å; L208-V234 HydrophobicContact CD2-CG2 4.24Å; L208-V237 HydrophobicContact CD1-CG2 4.32Å
209V75.6Confident69.7Low59 Ų5991 Ų9136%0.35849%0.488SS..Hα-helixtrans-59.6-42.6173.5171.80000111.4V205 Q211 Q212 Q213V205-V209 HydrophobicContact CG1-CG2 4.49Å; V205-V209 WeakPolarHBondContact O-CG2 3.37Å; V205-V209 PolarHBondContact O-N 3.32Å; V209-Q211 VanDerWaalsContact C-N 3.33Å; V209-Q211 PolarHBondContact O-N 3.48Å; V209-Q212 PolarHBondContact O-N 3.26Å; V209-Q213 WeakPolarHBondContact O-CG 3.49Å; V209-Q213 PolarHBondContact O-N 3.12Å
210Q75.9Confident68.3Low109 Ų10991.4 Ų91.451%0.50949%0.494SS..Hα-helixtrans-69.8-29.5179-174.1167.997.400112.8N206 L207 L208 Q214N206-Q210 WeakPolarHBondContact O-CB 3.22Å; N206-Q210 PolarHBondContact O-N 2.96Å; L207-Q210 PolarHBondContact O-N 3.28Å; L208-Q210 VanDerWaalsContact C-N 3.33Å; L208-Q210 PolarHBondContact O-N 3.48Å; Q210-Q214 WeakPolarHBondContact O-CG 3.22Å; Q210-Q214 PolarHBondContact O-N 3.13Å
211Q66.9Low67.1Low76 Ų7693.7 Ų93.736%0.35551%0.509SS..Hα-helixtrans-71.5-43.6173-170170.810700111.2L207 L208 V209 Q213 Q214 G215L207-Q211 WeakPolarHBondContact O-CB 3.39Å; L207-Q211 PolarHBondContact O-N 2.92Å; L208-Q211 PolarHBondContact O-N 3.02Å; V209-Q211 VanDerWaalsContact C-N 3.33Å; V209-Q211 PolarHBondContact O-N 3.48Å; Q211-Q213 VanDerWaalsContact C-N 3.33Å; Q211-Q213 PolarHBondContact O-N 3.5Å; Q211-Q214 PolarHBondContact O-N 3.45Å; Q211-G215 PolarHBondContact O-N 2.98Å
212Q63.1Low66Low104 Ų10498.2 Ų98.249%0.48653%0.533SS..Hα-helixtrans-60.7-40.6176.1-163.5174.420.900112L208 V209 Q214 G215L208-Q212 PolarHBondContact O-N 2.84Å; V209-Q212 PolarHBondContact O-N 3.26Å; Q212-Q214 VanDerWaalsContact C-N 3.27Å; Q212-Q214 PolarHBondContact O-N 3.3Å; Q212-G215 PolarHBondContact O-N 3.3Å
213Q63.6Low65.1Low142 Ų14299.6 Ų99.666%0.66454%0.54SS*.Hα-helixtrans-67.1-23174.9-70.8172.911.600114V209 Q211V209-Q213 WeakPolarHBondContact O-CG 3.49Å; V209-Q213 PolarHBondContact O-N 3.12Å; Q211-Q213 VanDerWaalsContact C-N 3.33Å; Q211-Q213 PolarHBondContact O-N 3.5Å
214Q57.7Low64Low102 Ų102101.2 Ų101.248%0.47755%0.548SS..Hα-helixtrans-89.4-15.4177.8-73.217737.200113.6Q210 Q211 Q212 A216Q210-Q214 WeakPolarHBondContact O-CG 3.22Å; Q210-Q214 PolarHBondContact O-N 3.13Å; Q211-Q214 PolarHBondContact O-N 3.45Å; Q212-Q214 VanDerWaalsContact C-N 3.27Å; Q212-Q214 PolarHBondContact O-N 3.3Å; Q214-A216 VanDerWaalsContact C-N 3.28Å; Q214-A216 PolarHBondContact O-N 3.46Å
215G54.6Low63.2Low50 Ų50106.1 Ų106.152%0.51556%0.56SS.*Hα-helixtrans-63.7-29.8176.700000113.8Q211 Q212 A217Q211-G215 PolarHBondContact O-N 2.98Å; Q212-G215 PolarHBondContact O-N 3.3Å; G215-A217 PolarHBondContact O-N 3Å
216A51.5Low62.4Low100 Ų100107.4 Ų107.483%0.82657%0.566SS**THydrogen-bonded Turntrans-68.79.7-176.800000115.9Q214Q214-A216 VanDerWaalsContact C-N 3.28Å; Q214-A216 PolarHBondContact O-N 3.46Å
217A51.6Low61.6Low89 Ų89109 Ų10974%0.73657%0.572SS**THydrogen-bonded Turntrans-144.923.7-170.900000115.3G215G215-A217 PolarHBondContact O-N 3Å
218R53.5Low61.2Low181 Ų181105.8 Ų105.868%0.68356%0.563SS**SBendtrans-129.2151.7-178.7-73-173.5166.5172.40.5113.3
219D51.7Low61.2Low142 Ų142110.2 Ų110.276%0.75958%0.578SS**  trans-63.4146-175.1-78.8-44.1000113.5L221D219-L221 PolarHBondContact O-N 3.18Å
220D53.7Low61.2Low132 Ų132109.3 Ų109.371%0.70657%0.574SS**THydrogen-bonded Turntrans-64.119.5-171.1-45.7-96.5000117
221L56.2Low61.4Low166 Ų166108.3 Ų108.387%0.86957%0.572SS**THydrogen-bonded Turntrans-116-5.9-169.2-64.6179.9000115.9D219D219-L221 PolarHBondContact O-N 3.18Å
222D56.8Low62.1Low102 Ų102109.5 Ų109.555%0.54558%0.58SS.*SBendtrans-121.8-0.7179.3-108.7-45000113.7D224 R225 D226D222-D224 VanDerWaalsContact C-N 3.34Å; D222-D224 PolarHBondContact O-N 3.4Å; D222-R225 PolarHBondContact O-N 3.29Å; D222-D226 PolarHBondContact O-N 3.05Å
223E59.6Low63Low127 Ų127107 Ų10759%0.59357%0.57SS**Hα-helixtrans-55.7-41.2-171.6-63.4-166.8130.100113.9R225 D226 M227E223-R225 PolarHBondContact O-N 3.34Å; E223-D226 PolarHBondContact O-N 3.45Å; E223-D226 VanDerWaalsContact O-N 3.1Å; E223-M227 WeakPolarHBondContact O-CB 3.48Å; E223-M227 PolarHBondContact O-N 3.42Å
224D59.2Low63.9Low148 Ų148102.3 Ų102.379%0.79155%0.551SS**Hα-helixtrans-65.3-25.8-175.1-152.841.6000112.7D222D222-D224 VanDerWaalsContact C-N 3.34Å; D222-D224 PolarHBondContact O-N 3.4Å
225R61.7Low65.2Low160 Ų160104.3 Ų104.360%0.60456%0.556SS**Hα-helixtrans-86.7-24.8173.8-90.8-173.874.4-138.39114.1D222 E223 R229D222-R225 PolarHBondContact O-N 3.29Å; E223-R225 PolarHBondContact O-N 3.34Å; R225-R229 PolarHBondContact O-NE 3.32Å
226D62.6Low66.6Low57 Ų57105.9 Ų105.931%0.30555%0.552SS.*Hα-helixtrans-85-33.8175.5-90.4-1.6000111.9D222 E223 G228 R229 S230D222-D226 PolarHBondContact O-N 3.05Å; E223-D226 PolarHBondContact O-N 3.45Å; E223-D226 VanDerWaalsContact O-N 3.1Å; D226-G228 PolarHBondContact O-N 3Å; D226-R229 PolarHBondContact O-N 3.26Å; D226-R229 IonicContact OD1-CZ 3.24Å; D226-R229 VanDerWaalsContact OD1-CZ 3.24Å; D226-R229 IonicContact OD1-NE 3.15Å; D226-R229 PolarHBondContact OD1-NE 3.49Å; D226-R229 VanDerWaalsContact OD1-NE 3.15Å; D226-R229 IonicContact OD1-NH2 2.62Å; D226-R229 PolarHBondContact OD1-NH2 3.38Å; D226-S230 WeakPolarHBondContact O-CB 3.45Å; D226-S230 PolarHBondContact O-N 2.79Å
227M65.7Low68.1Low120 Ų120101.6 Ų101.659%0.59152%0.515SS*.Hα-helixtrans-62.5-43.7174.4-161.6-80.8-74.800111.5E223 R229 S230 L231E223-M227 WeakPolarHBondContact O-CB 3.48Å; E223-M227 PolarHBondContact O-N 3.42Å; M227-R229 PolarHBondContact O-N 2.94Å; M227-S230 PolarHBondContact O-N 3.12Å; M227-L231 WeakPolarHBondContact O-CB 3.47Å; M227-L231 PolarHBondContact O-N 3.29Å
228G72.3Confident69.7Low31 Ų31100.3 Ų100.332%0.3249%0.494SS..Hα-helixtrans-60.8-40.4172.900000113.7D226 L231 D232D226-G228 PolarHBondContact O-N 3Å; G228-L231 PolarHBondContact O-N 3.29Å; G228-D232 PolarHBondContact O-N 3.34Å
229R72.4Confident71.4Confident118 Ų11897.9 Ų97.945%0.44549%0.485SS..Hα-helixtrans-68.6-37.1175.8-80.9-171.8-74.2-143.8-4.1113.1R225 D226 M227 L233R225-R229 PolarHBondContact O-NE 3.32Å; D226-R229 PolarHBondContact O-N 3.26Å; D226-R229 IonicContact OD1-CZ 3.24Å; D226-R229 VanDerWaalsContact OD1-CZ 3.24Å; D226-R229 IonicContact OD1-NE 3.15Å; D226-R229 PolarHBondContact OD1-NE 3.49Å; D226-R229 VanDerWaalsContact OD1-NE 3.15Å; D226-R229 IonicContact OD1-NH2 2.62Å; D226-R229 PolarHBondContact OD1-NH2 3.38Å; M227-R229 PolarHBondContact O-N 2.94Å; R229-L233 WeakPolarHBondContact O-CB 3.47Å; R229-L233 PolarHBondContact O-N 2.98Å
230S74.5Confident73Confident39 Ų3992.8 Ų92.827%0.27346%0.463SS..Hα-helixtrans-62.7-44.9173.9-172.20000110.6D226 M227 L233 V234D226-S230 WeakPolarHBondContact O-CB 3.45Å; D226-S230 PolarHBondContact O-N 2.79Å; M227-S230 PolarHBondContact O-N 3.12Å; S230-L233 PolarHBondContact O-N 2.61Å; S230-V234 WeakPolarHBondContact O-CG2 3.5Å; S230-V234 PolarHBondContact O-N 3.01Å
231L80.4Confident74.5Confident88 Ų8886.7 Ų86.746%0.46143%0.43SS..Hα-helixtrans-62.2-45.2177.5-166.674.6000112.5M227 G228 L233 V234 Y235M227-L231 WeakPolarHBondContact O-CB 3.47Å; M227-L231 PolarHBondContact O-N 3.29Å; G228-L231 PolarHBondContact O-N 3.29Å; L231-L233 VanDerWaalsContact C-N 3.33Å; L231-L233 PolarHBondContact O-N 3.03Å; L231-V234 PolarHBondContact O-N 3.03Å; L231-Y235 HydrophobicContact CD1-CE2 4.24Å; L231-Y235 HydrophobicContact CD2-CE2 4.11Å; L231-Y235 HydrophobicContact CG-CD2 4.1Å; L231-Y235 HydrophobicContact CG-CE2 3.8Å; L231-Y235 VanDerWaalsContact O-CD2 3.25Å; L231-Y235 WeakPolarHBondContact O-CD2 3.49Å; L231-Y235 PolarHBondContact O-N 3.49Å
232D82.8Confident76Confident101 Ų10184 Ų8454%0.5441%0.413SS..Hα-helixtrans-59.5-43.1174.3-76-22000111.4G228 V234 Y235 D236G228-D232 PolarHBondContact O-N 3.34Å; D232-V234 PolarHBondContact O-N 3.22Å; D232-Y235 PolarHBondContact O-N 3.33Å; D232-D236 PolarHBondContact O-N 3.43Å
233L81.5Confident77.5Confident51 Ų5185.2 Ų85.227%0.26742%0.415SS..Hα-helixtrans-65-38.1178.4-144.573.7000112L208 R229 S230 L231 D236 V237L208-L233 HydrophobicContact CB-CD2 4.16Å; L208-L233 HydrophobicContact CD1-CB 4.01Å; L208-L233 HydrophobicContact CD1-CD2 4Å; L208-L233 HydrophobicContact CD1-CG 4.16Å; L208-L233 HydrophobicContact CG-CD2 3.95Å; R229-L233 WeakPolarHBondContact O-CB 3.47Å; R229-L233 PolarHBondContact O-N 2.98Å; S230-L233 PolarHBondContact O-N 2.61Å; L231-L233 VanDerWaalsContact C-N 3.33Å; L231-L233 PolarHBondContact O-N 3.03Å; L233-D236 PolarHBondContact O-N 3.19Å; L233-V237 WeakPolarHBondContact O-CB 3.38Å; L233-V237 VanDerWaalsContact O-CG2 3.31Å; L233-V237 WeakPolarHBondContact O-CG2 3.4Å; L233-V237 PolarHBondContact O-N 2.92Å
234V81.8Confident78.7Confident44 Ų4479.6 Ų79.627%0.26739%0.389SS..Hα-helixtrans-63.5-41.9172.7170.50000111.1L208 S230 L231 D232 V237 Q238L208-V234 HydrophobicContact CD1-CG2 3.86Å; L208-V234 HydrophobicContact CD2-CG2 4.24Å; S230-V234 WeakPolarHBondContact O-CG2 3.5Å; S230-V234 PolarHBondContact O-N 3.01Å; L231-V234 PolarHBondContact O-N 3.03Å; D232-V234 PolarHBondContact O-N 3.22Å; V234-V237 PolarHBondContact O-N 2.94Å; V234-Q238 VanDerWaalsContact O-CB 3.31Å; V234-Q238 WeakPolarHBondContact O-CB 3.26Å; V234-Q238 PolarHBondContact O-N 3.42Å
235Y84.3Confident80Confident145 Ų14576.2 Ų76.257%0.56937%0.369SS*.Hα-helixtrans-65.7-37.5176.2-83-61.2000113.2L231 D232 Q238 R239L231-Y235 HydrophobicContact CD1-CE2 4.24Å; L231-Y235 HydrophobicContact CD2-CE2 4.11Å; L231-Y235 HydrophobicContact CG-CD2 4.1Å; L231-Y235 HydrophobicContact CG-CE2 3.8Å; L231-Y235 VanDerWaalsContact O-CD2 3.25Å; L231-Y235 WeakPolarHBondContact O-CD2 3.49Å; L231-Y235 PolarHBondContact O-N 3.49Å; D232-Y235 PolarHBondContact O-N 3.33Å; Y235-Q238 PolarHBondContact O-N 2.85Å; Y235-R239 PolarHBondContact O-N 3.06Å
236D85.2Confident81.2Confident83 Ų8370.6 Ų70.644%0.44436%0.357SS..Hα-helixtrans-70.9-39.8176.3-78-20.2000112D232 L233 R239 A240D232-D236 PolarHBondContact O-N 3.43Å; L233-D236 PolarHBondContact O-N 3.19Å; D236-R239 PolarHBondContact O-N 2.92Å; D236-R239 IonicContact OD1-CZ 3.86Å; D236-R239 IonicContact OD1-NH1 3.18Å; D236-R239 PolarHBondContact OD1-NH1 3.41Å; D236-R239 IonicContact OD1-NH2 2.63Å; D236-A240 WeakPolarHBondContact O-CB 3.3Å; D236-A240 PolarHBondContact O-N 3.37Å
237V83.8Confident82.3Confident9 Ų970 Ų706%0.05535%0.352CS..Hα-helixtrans-60.4-45.6170.7165.60000111L201 V205 L208 L233 V234 R239 A240 I241L201-V237 HydrophobicContact CD1-CB 4.5Å; L201-V237 HydrophobicContact CD1-CG1 4.08Å; L201-V237 HydrophobicContact CD1-CG2 4.46Å; V205-V237 HydrophobicContact CG2-CG1 3.96Å; V205-V237 HydrophobicContact CG2-CG2 4.4Å; L208-V237 HydrophobicContact CD1-CG2 4.32Å; L233-V237 WeakPolarHBondContact O-CB 3.38Å; L233-V237 VanDerWaalsContact O-CG2 3.31Å; L233-V237 WeakPolarHBondContact O-CG2 3.4Å; L233-V237 PolarHBondContact O-N 2.92Å; V234-V237 PolarHBondContact O-N 2.94Å; V237-R239 VanDerWaalsContact C-N 3.32Å; V237-R239 PolarHBondContact O-N 2.97Å; V237-A240 PolarHBondContact O-N 2.94Å; V237-I241 HydrophobicContact CG1-CD1 3.92Å; V237-I241 WeakPolarHBondContact O-CG1 3.38Å; V237-I241 PolarHBondContact O-N 3.14Å
238Q84.6Confident83.1Confident63 Ų6365.6 Ų65.629%0.29433%0.333SS..Hα-helixtrans-59.9-40.3176.3-172.49480.400111.8V234 Y235 Q242V234-Q238 VanDerWaalsContact O-CB 3.31Å; V234-Q238 WeakPolarHBondContact O-CB 3.26Å; V234-Q238 PolarHBondContact O-N 3.42Å; Y235-Q238 PolarHBondContact O-N 2.85Å; Q238-Q242 WeakPolarHBondContact O-CG 3.47Å; Q238-Q242 PolarHBondContact O-N 3.48Å
239R88.5Confident83.9Confident130 Ų13070.6 Ų70.649%0.49135%0.348SS..Hα-helixtrans-65.7-46.8175.5-172.2-173.9-60.5118.69.4111.4Y235 D236 V237 I241 Q242 E243Y235-R239 PolarHBondContact O-N 3.06Å; D236-R239 PolarHBondContact O-N 2.92Å; D236-R239 IonicContact OD1-CZ 3.86Å; D236-R239 IonicContact OD1-NH1 3.18Å; D236-R239 PolarHBondContact OD1-NH1 3.41Å; D236-R239 IonicContact OD1-NH2 2.63Å; V237-R239 VanDerWaalsContact C-N 3.32Å; V237-R239 PolarHBondContact O-N 2.97Å; R239-I241 VanDerWaalsContact C-N 3.31Å; R239-I241 PolarHBondContact O-N 3.02Å; R239-Q242 PolarHBondContact O-N 2.98Å; R239-Q242 VanDerWaalsContact O-N 3.13Å; R239-E243 WeakPolarHBondContact CG-OE1 3.42Å; R239-E243 PolarHBondContact O-N 3.38Å
240A84.6Confident84.7Confident35 Ų3571.5 Ų71.529%0.28935%0.351SS..Hα-helixtrans-60.9-38.5179.300000112.5L201 D236 V237 E243 L244L201-A240 HydrophobicContact CD1-CB 3.85Å; D236-A240 WeakPolarHBondContact O-CB 3.3Å; D236-A240 PolarHBondContact O-N 3.37Å; V237-A240 PolarHBondContact O-N 2.94Å; A240-E243 PolarHBondContact O-N 3.43Å; A240-L244 WeakPolarHBondContact O-CB 3.4Å; A240-L244 PolarHBondContact O-N 3.03Å
241I85.9Confident85.3Confident3 Ų370 Ų702%0.01534%0.34CS..Hα-helixtrans-59.8-46.5172.5-71.5165.9000111.3L146 L153 L201 V237 R239 L244 Q245L146-I241 HydrophobicContact CD2-CD1 4.44Å; L153-I241 HydrophobicContact CD1-CG2 3.89Å; L201-I241 HydrophobicContact CD1-CG1 4.37Å; L201-I241 HydrophobicContact CD2-CG1 3.65Å; V237-I241 HydrophobicContact CG1-CD1 3.92Å; V237-I241 WeakPolarHBondContact O-CG1 3.38Å; V237-I241 PolarHBondContact O-N 3.14Å; R239-I241 VanDerWaalsContact C-N 3.31Å; R239-I241 PolarHBondContact O-N 3.02Å; I241-L244 PolarHBondContact O-N 3.3Å; I241-Q245 VanDerWaalsContact O-CG 3.31Å; I241-Q245 WeakPolarHBondContact O-CG 3.39Å; I241-Q245 PolarHBondContact O-N 3.13Å
242Q87.5Confident85.5Confident111 Ų11170.9 Ų70.952%0.51934%0.342SS..Hα-helixtrans-65.8-38179.5-69.7172.311.100112.3Q238 R239 Q245 A246Q238-Q242 WeakPolarHBondContact O-CG 3.47Å; Q238-Q242 PolarHBondContact O-N 3.48Å; R239-Q242 PolarHBondContact O-N 2.98Å; R239-Q242 VanDerWaalsContact O-N 3.13Å; Q242-Q245 PolarHBondContact O-N 3.4Å; Q242-A246 PolarHBondContact O-N 3.29Å
243E88Confident85.8Confident126 Ų12671 Ų7159%0.58934%0.339SS*.Hα-helixtrans-67.6-40.1175.5-71.3177.7-169.500112R239 A240 A246 E247R239-E243 WeakPolarHBondContact CG-OE1 3.42Å; R239-E243 PolarHBondContact O-N 3.38Å; A240-E243 PolarHBondContact O-N 3.43Å; E243-A246 PolarHBondContact O-N 2.97Å; E243-E247 PolarHBondContact O-N 2.94Å
244L86.3Confident86Confident9 Ų970.4 Ų70.45%0.04734%0.342CS..Hα-helixtrans-62-44.4172.2-88.1161.1000112.1L153 L194 N197 L201 A240 I241 A246 E247 C248L153-L244 HydrophobicContact CD2-CB 4.48Å; L194-L244 HydrophobicContact CD1-CD2 3.69Å; L194-L244 HydrophobicContact CG-CD2 4.4Å; N197-L244 HydrophobicContact CB-CD2 3.9Å; L201-L244 HydrophobicContact CB-CD1 4.33Å; L201-L244 HydrophobicContact CD2-CD1 3.71Å; A240-L244 WeakPolarHBondContact O-CB 3.4Å; A240-L244 PolarHBondContact O-N 3.03Å; I241-L244 PolarHBondContact O-N 3.3Å; L244-A246 VanDerWaalsContact C-N 3.35Å; L244-A246 PolarHBondContact O-N 3.42Å; L244-E247 PolarHBondContact O-N 3.12Å; L244-C248 PolarHBondContact O-N 2.96Å; L244-C248 PolarHBondContact O-SG 3.47Å; L244-C248 VanDerWaalsContact O-SG 3.34Å
245Q85.4Confident86.1Confident78 Ų7869.5 Ų69.536%0.36434%0.336SS..Hα-helixtrans-58.1-45.8174.9-74169.7-15.500111.4L153 I241 Q242 E247 C248 E249L153-Q245 HydrophobicContact CD1-CG 4.01Å; L153-Q245 HydrophobicContact CD2-CG 4.45Å; L153-Q245 HydrophobicContact CG-CG 4.42Å; I241-Q245 VanDerWaalsContact O-CG 3.31Å; I241-Q245 WeakPolarHBondContact O-CG 3.39Å; I241-Q245 PolarHBondContact O-N 3.13Å; Q242-Q245 PolarHBondContact O-N 3.4Å; Q245-E247 PolarHBondContact O-N 3.43Å; Q245-C248 WeakPolarHBondContact O-CB 3.49Å; Q245-C248 PolarHBondContact O-N 3.48Å; Q245-E249 WeakPolarHBondContact O-CG 3.33Å; Q245-E249 PolarHBondContact O-N 2.9Å
246A87.8Confident86.3Confident42 Ų4267.8 Ų67.835%0.34733%0.329SS..Hα-helixtrans-67.3-30.1177.700000113.9Q242 E243 L244 R250Q242-A246 PolarHBondContact O-N 3.29Å; E243-A246 PolarHBondContact O-N 2.97Å; L244-A246 VanDerWaalsContact C-N 3.35Å; L244-A246 PolarHBondContact O-N 3.42Å; A246-R250 WeakPolarHBondContact O-CG 3.48Å; A246-R250 PolarHBondContact O-N 2.88Å; A246-R250 PolarHBondContact O-NE 3.13Å
247E84.6Confident86.6Confident43 Ų4367.2 Ų67.220%0.20133%0.332CS..Hα-helixtrans-71.4-42.1170.8-171.769.5-117.600111.3L194 E243 L244 Q245 E249 R250 L251L194-E247 HydrophobicContact CD1-CB 4Å; L194-E247 HydrophobicContact CD1-CG 3.76Å; E243-E247 PolarHBondContact O-N 2.94Å; L244-E247 PolarHBondContact O-N 3.12Å; Q245-E247 PolarHBondContact O-N 3.43Å; E247-E249 PolarHBondContact O-N 3.21Å; E247-R250 VanDerWaalsContact CD-NH2 3.29Å; E247-R250 PolarHBondContact O-N 2.89Å; E247-R250 IonicContact OE1-CZ 2.95Å; E247-R250 IonicContact OE1-NH1 2.74Å; E247-R250 PolarHBondContact OE1-NH1 2.69Å; E247-R250 IonicContact OE1-NH2 3.6Å; E247-R250 IonicContact OE2-CZ 3.14Å; E247-R250 VanDerWaalsContact OE2-CZ 3.29Å; E247-R250 IonicContact OE2-NH1 3.38Å; E247-R250 PolarHBondContact OE2-NH1 3.29Å; E247-R250 VanDerWaalsContact OE2-NH1 3.07Å; E247-R250 IonicContact OE2-NH2 3.51Å; E247-R250 PolarHBondContact OE2-NH2 3.42Å; E247-L251 WeakPolarHBondContact O-CB 3.4Å; E247-L251 PolarHBondContact O-N 3.05Å
248C82.3Confident86.7Confident29 Ų2969.1 Ų69.120%0.19634%0.341CS..Hα-helixtrans-57.4-47.9173.8-72.90000112L244 Q245 R250 L251 Q252L244-C248 PolarHBondContact O-N 2.96Å; L244-C248 PolarHBondContact O-SG 3.47Å; L244-C248 VanDerWaalsContact O-SG 3.34Å; Q245-C248 WeakPolarHBondContact O-CB 3.49Å; Q245-C248 PolarHBondContact O-N 3.48Å; C248-R250 PolarHBondContact O-N 3.38Å; C248-L251 PolarHBondContact O-N 2.89Å; C248-Q252 WeakPolarHBondContact O-CB 3.45Å; C248-Q252 PolarHBondContact O-N 3.22Å
249E89.1Confident86.8Confident135 Ų13570.6 Ų70.663%0.63135%0.348SS*.Hα-helixtrans-60-46176.5-72.7-179171.700112Q245 E247 L251 Q252 E253Q245-E249 WeakPolarHBondContact O-CG 3.33Å; Q245-E249 PolarHBondContact O-N 2.9Å; E247-E249 PolarHBondContact O-N 3.21Å; E249-L251 VanDerWaalsContact C-N 3.33Å; E249-L251 PolarHBondContact O-N 2.65Å; E249-Q252 PolarHBondContact O-N 3.2Å; E249-E253 PolarHBondContact O-N 3.46Å
250R90.6Very high87Confident137 Ų13769.6 Ų69.652%0.51735%0.349SS..Hα-helixtrans-63.7-36.9176.2-79.4-170.7-71.1100.6-5.7112.8A246 E247 C248 A254A246-R250 WeakPolarHBondContact O-CG 3.48Å; A246-R250 PolarHBondContact O-N 2.88Å; A246-R250 PolarHBondContact O-NE 3.13Å; E247-R250 VanDerWaalsContact CD-NH2 3.29Å; E247-R250 PolarHBondContact O-N 2.89Å; E247-R250 IonicContact OE1-CZ 2.95Å; E247-R250 IonicContact OE1-NH1 2.74Å; E247-R250 PolarHBondContact OE1-NH1 2.69Å; E247-R250 IonicContact OE1-NH2 3.6Å; E247-R250 IonicContact OE2-CZ 3.14Å; E247-R250 VanDerWaalsContact OE2-CZ 3.29Å; E247-R250 IonicContact OE2-NH1 3.38Å; E247-R250 PolarHBondContact OE2-NH1 3.29Å; E247-R250 VanDerWaalsContact OE2-NH1 3.07Å; E247-R250 IonicContact OE2-NH2 3.51Å; E247-R250 PolarHBondContact OE2-NH2 3.42Å; C248-R250 PolarHBondContact O-N 3.38Å; R250-A254 WeakPolarHBondContact O-CB 3.33Å; R250-A254 PolarHBondContact O-N 2.92Å
251L86.2Confident87.3Confident8 Ų870.5 Ų70.54%0.04235%0.349CS..Hα-helixtrans-69-38.5176-173.162.7000111.2V187 K190 L191 L194 E247 C248 E249 A254 T255V187-L251 HydrophobicContact CG1-CD1 4.33Å; K190-L251 HydrophobicContact CB-CD1 3.95Å; K190-L251 HydrophobicContact CD-CD1 4.14Å; L191-L251 HydrophobicContact CD1-CD2 3.77Å; L194-L251 HydrophobicContact CD2-CD2 4.09Å; E247-L251 WeakPolarHBondContact O-CB 3.4Å; E247-L251 PolarHBondContact O-N 3.05Å; C248-L251 PolarHBondContact O-N 2.89Å; E249-L251 VanDerWaalsContact C-N 3.33Å; E249-L251 PolarHBondContact O-N 2.65Å; L251-A254 PolarHBondContact O-N 2.96Å; L251-T255 VanDerWaalsContact O-CB 3.32Å; L251-T255 WeakPolarHBondContact O-CB 3.28Å; L251-T255 PolarHBondContact O-N 3.18Å; L251-T255 PolarHBondContact O-OG1 3.36Å
252Q84.1Confident87.3Confident107 Ų10774.3 Ų74.350%0.537%0.369SS..Hα-helixtrans-66.7-40.9176.9-162.5177.63100111.6C248 E249 T255 R256C248-Q252 WeakPolarHBondContact O-CB 3.45Å; C248-Q252 PolarHBondContact O-N 3.22Å; E249-Q252 PolarHBondContact O-N 3.2Å; Q252-T255 PolarHBondContact O-N 2.88Å; Q252-R256 WeakPolarHBondContact O-CB 3.48Å; Q252-R256 PolarHBondContact O-N 2.91Å
253E90.1Very high87.5Confident103 Ų10375.4 Ų75.448%0.48137%0.374SS..Hα-helixtrans-63.8-47173.4-166.262.6-123.100111.8E249 T255 R256 S257E249-E253 PolarHBondContact O-N 3.46Å; E253-T255 VanDerWaalsContact C-N 3.29Å; E253-T255 PolarHBondContact O-N 3.4Å; E253-R256 PolarHBondContact O-N 3.38Å; E253-R256 IonicContact OE1-CZ 3.87Å; E253-R256 IonicContact OE1-NH1 3.92Å; E253-R256 PolarHBondContact OE1-NH1 3.24Å; E253-R256 IonicContact OE2-CZ 3.29Å; E253-R256 IonicContact OE2-NH1 2.67Å; E253-R256 PolarHBondContact OE2-NH1 2.89Å; E253-R256 IonicContact OE2-NH2 3.55Å; E253-S257 PolarHBondContact O-N 2.92Å
254A85.8Confident87.8Confident39 Ų3974.6 Ų74.632%0.32237%0.37SS..Hα-helixtrans-61.3-38.1176.600000112.2R250 L251 L258R250-A254 WeakPolarHBondContact O-CB 3.33Å; R250-A254 PolarHBondContact O-N 2.92Å; L251-A254 PolarHBondContact O-N 2.96Å; A254-L258 WeakPolarHBondContact O-CB 3.46Å; A254-L258 PolarHBondContact O-N 2.96Å
255T84.3Confident88Confident25 Ų2578.3 Ų78.315%0.15339%0.386CS..Hα-helixtrans-67.8-40.2175.8-56.80000111.4L164 L251 Q252 E253 L258 H259L164-T255 HydrophobicContact CD2-CG2 3.89Å; L251-T255 VanDerWaalsContact O-CB 3.32Å; L251-T255 WeakPolarHBondContact O-CB 3.28Å; L251-T255 PolarHBondContact O-N 3.18Å; L251-T255 PolarHBondContact O-OG1 3.36Å; Q252-T255 PolarHBondContact O-N 2.88Å; E253-T255 VanDerWaalsContact C-N 3.29Å; E253-T255 PolarHBondContact O-N 3.4Å; T255-L258 PolarHBondContact O-N 3.37Å; T255-H259 WeakPolarHBondContact O-CB 3.33Å; T255-H259 PolarHBondContact O-N 3.49Å
256R88.2Confident88.3Confident108 Ų10877.2 Ų77.241%0.40838%0.381SS..Hα-helixtrans-64.2-46.8175.8-164.9-172.3-52.7124.16.8111.6Q252 E253 L258 H259 E260Q252-R256 WeakPolarHBondContact O-CB 3.48Å; Q252-R256 PolarHBondContact O-N 2.91Å; E253-R256 PolarHBondContact O-N 3.38Å; E253-R256 IonicContact OE1-CZ 3.87Å; E253-R256 IonicContact OE1-NH1 3.92Å; E253-R256 PolarHBondContact OE1-NH1 3.24Å; E253-R256 IonicContact OE2-CZ 3.29Å; E253-R256 IonicContact OE2-NH1 2.67Å; E253-R256 PolarHBondContact OE2-NH1 2.89Å; E253-R256 IonicContact OE2-NH2 3.55Å; R256-L258 VanDerWaalsContact C-N 3.33Å; R256-L258 PolarHBondContact O-N 2.99Å; R256-H259 WeakPolarHBondContact O-CB 3.13Å; R256-H259 PolarHBondContact O-N 2.9Å; R256-H259 VanDerWaalsContact O-N 3.14Å; R256-E260 WeakPolarHBondContact O-CG 3.31Å; R256-E260 PolarHBondContact O-N 3.24Å
257S91Very high88.7Confident72 Ų7276.9 Ų76.950%0.50338%0.382SS..Hα-helixtrans-60.9-41176.5179.20000112.3E253 H259 E260 D261E253-S257 PolarHBondContact O-N 2.92Å; S257-H259 VanDerWaalsContact C-N 3.34Å; S257-E260 PolarHBondContact O-N 2.87Å; S257-D261 PolarHBondContact O-N 3.35Å
258L86.7Confident89.3Confident49 Ų4980.3 Ų80.326%0.25740%0.398SS..Hα-helixtrans-66.1-36174.9-174.164.6000112.3N183 V187 A254 T255 R256 N262N183-L258 HydrophobicContact CB-CD1 3.83Å; N183-L258 HydrophobicContact CB-CD2 4.26Å; V187-L258 HydrophobicContact CG2-CD2 4.36Å; A254-L258 WeakPolarHBondContact O-CB 3.46Å; A254-L258 PolarHBondContact O-N 2.96Å; T255-L258 PolarHBondContact O-N 3.37Å; R256-L258 VanDerWaalsContact C-N 3.33Å; R256-L258 PolarHBondContact O-N 2.99Å; L258-N262 VanDerWaalsContact O-CB 3.3Å; L258-N262 WeakPolarHBondContact O-CB 3.39Å; L258-N262 PolarHBondContact O-N 3.24Å
259H85.9Confident89.9Confident93 Ų9382 Ų8243%0.43140%0.404SS..Hα-helixtrans-65.3-43.6175.3-176.680.2000112T255 R256 S257 N262 Q263T255-H259 WeakPolarHBondContact O-CB 3.33Å; T255-H259 PolarHBondContact O-N 3.49Å; R256-H259 WeakPolarHBondContact O-CB 3.13Å; R256-H259 PolarHBondContact O-N 2.9Å; R256-H259 VanDerWaalsContact O-N 3.14Å; S257-H259 VanDerWaalsContact C-N 3.34Å; H259-N262 PolarHBondContact O-N 3.07Å; H259-Q263 WeakPolarHBondContact O-CB 3.36Å; H259-Q263 PolarHBondContact O-N 2.83Å
260E92.3Very high90.2Very high110 Ų11081 Ų8151%0.51440%0.399SS..Hα-helixtrans-63.7-44.5176.5-70.9171.6-169.300112.1R256 S257 Q263 Q264R256-E260 WeakPolarHBondContact O-CG 3.31Å; R256-E260 PolarHBondContact O-N 3.24Å; S257-E260 PolarHBondContact O-N 2.87Å; E260-Q263 PolarHBondContact O-N 3.02Å; E260-Q264 WeakPolarHBondContact O-CB 3.32Å; E260-Q264 PolarHBondContact O-N 3.11Å
261D90.4Very high90.6Very high53 Ų5380 Ų8028%0.28340%0.4SS..Hα-helixtrans-62.2-41.5174174.160.5000112S257 Q264 K265S257-D261 PolarHBondContact O-N 3.35Å; D261-Q264 PolarHBondContact O-N 3.45Å; D261-K265 WeakPolarHBondContact O-CB 3.42Å; D261-K265 VanDerWaalsContact O-CG 3.32Å; D261-K265 WeakPolarHBondContact O-CG 3.42Å; D261-K265 PolarHBondContact O-N 3.26Å; D261-K265 WeakPolarHBondContact OD1-CE 3.24Å; D261-K265 IonicContact OD1-NZ 3.65Å; D261-K265 PolarHBondContact OD1-NZ 3Å; D261-K265 WeakPolarHBondContact OD2-CE 3.5Å; D261-K265 IonicContact OD2-NZ 2.77Å; D261-K265 PolarHBondContact OD2-NZ 3.19Å
262N87.6Confident91.1Very high84 Ų8485.2 Ų85.245%0.44943%0.428SS..Hα-helixtrans-63.9-46176.1-167.2-66000111.5L258 H259 Q264 K265 Q266L258-N262 VanDerWaalsContact O-CB 3.3Å; L258-N262 WeakPolarHBondContact O-CB 3.39Å; L258-N262 PolarHBondContact O-N 3.24Å; H259-N262 PolarHBondContact O-N 3.07Å; N262-Q264 VanDerWaalsContact C-N 3.31Å; N262-Q264 PolarHBondContact O-N 3.41Å; N262-K265 PolarHBondContact O-N 2.85Å; N262-Q266 WeakPolarHBondContact O-CB 3.43Å; N262-Q266 PolarHBondContact O-N 3.48Å
263Q90.1Very high91.7Very high133 Ų13388.3 Ų88.362%0.62144%0.436SS*.Hα-helixtrans-60.2-41.3175.7-170.9-179.32800111.7H259 E260 G267H259-Q263 WeakPolarHBondContact O-CB 3.36Å; H259-Q263 PolarHBondContact O-N 2.83Å; E260-Q263 PolarHBondContact O-N 3.02Å; Q263-G267 PolarHBondContact O-N 3.25Å; Q263-G267 VanDerWaalsContact O-N 3.07Å
264Q94.9Very high92Very high109 Ų10989.1 Ų89.151%0.50944%0.438SS..Hα-helixtrans-64.4-46.2175.6-173.6-178-1.700111.6E260 D261 N262 G267 H268E260-Q264 WeakPolarHBondContact O-CB 3.32Å; E260-Q264 PolarHBondContact O-N 3.11Å; D261-Q264 PolarHBondContact O-N 3.45Å; N262-Q264 VanDerWaalsContact C-N 3.31Å; N262-Q264 PolarHBondContact O-N 3.41Å; Q264-G267 PolarHBondContact O-N 2.99Å; Q264-H268 WeakPolarHBondContact CG-NE2 3.49Å; Q264-H268 PolarHBondContact NE2-NE2 2.94Å; Q264-H268 PolarHBondContact O-CD2 3.41Å; Q264-H268 VanDerWaalsContact O-CD2 3.24Å; Q264-H268 PolarHBondContact O-N 3.34Å
265K91.6Very high92.4Very high88 Ų8890.1 Ų90.138%0.38344%0.44SS..Hα-helixtrans-61.6-42.2177.4-77.3168.7174.9167.20112.1D261 N262 G267 H268 I269D261-K265 WeakPolarHBondContact O-CB 3.42Å; D261-K265 VanDerWaalsContact O-CG 3.32Å; D261-K265 WeakPolarHBondContact O-CG 3.42Å; D261-K265 PolarHBondContact O-N 3.26Å; D261-K265 WeakPolarHBondContact OD1-CE 3.24Å; D261-K265 IonicContact OD1-NZ 3.65Å; D261-K265 PolarHBondContact OD1-NZ 3Å; D261-K265 WeakPolarHBondContact OD2-CE 3.5Å; D261-K265 IonicContact OD2-NZ 2.77Å; D261-K265 PolarHBondContact OD2-NZ 3.19Å; N262-K265 PolarHBondContact O-N 2.85Å; K265-G267 VanDerWaalsContact C-N 3.33Å; K265-G267 PolarHBondContact O-N 3.43Å; K265-H268 PolarHBondContact O-N 2.76Å; K265-I269 VanDerWaalsContact O-CG1 3.31Å; K265-I269 WeakPolarHBondContact O-CG1 3.45Å; K265-I269 PolarHBondContact O-N 2.9Å
266Q91.6Very high92.8Very high54 Ų5491.3 Ų91.325%0.25245%0.453SS..Hα-helixtrans-61.2-41.3174.4178.954.634.400111.6N262 H268 I269 E270N262-Q266 WeakPolarHBondContact O-CB 3.43Å; N262-Q266 PolarHBondContact O-N 3.48Å; Q266-H268 PolarHBondContact O-N 3.37Å; Q266-I269 WeakPolarHBondContact O-CB 3.37Å; Q266-I269 PolarHBondContact O-N 2.64Å; Q266-E270 PolarHBondContact NE2-OE1 3.42Å; Q266-E270 WeakPolarHBondContact O-CG 3.46Å; Q266-E270 PolarHBondContact O-N 3.18Å
267G95.3Very high93.1Very high35 Ų3592.2 Ų92.236%0.36146%0.462SS..Hα-helixtrans-61.1-41.2172.500000113.7Q263 Q264 K265 E270 E271Q263-G267 PolarHBondContact O-N 3.25Å; Q263-G267 VanDerWaalsContact O-N 3.07Å; Q264-G267 PolarHBondContact O-N 2.99Å; K265-G267 VanDerWaalsContact C-N 3.33Å; K265-G267 PolarHBondContact O-N 3.43Å; G267-E270 PolarHBondContact O-N 3.03Å; G267-E271 PolarHBondContact O-N 3.28Å
268H96.6Very high93.1Very high116 Ų11692.5 Ų92.554%0.53746%0.455SS..Hα-helixtrans-65-38.3174-68.9-51.4000112.4Q264 K265 Q266 E271 L272Q264-H268 WeakPolarHBondContact CG-NE2 3.49Å; Q264-H268 PolarHBondContact NE2-NE2 2.94Å; Q264-H268 PolarHBondContact O-CD2 3.41Å; Q264-H268 VanDerWaalsContact O-CD2 3.24Å; Q264-H268 PolarHBondContact O-N 3.34Å; K265-H268 PolarHBondContact O-N 2.76Å; Q266-H268 PolarHBondContact O-N 3.37Å; H268-E271 PolarHBondContact O-N 3.33Å; H268-L272 WeakPolarHBondContact O-CG 3.33Å; H268-L272 PolarHBondContact O-N 2.98Å
269I95.8Very high93.2Very high64 Ų6495.8 Ų95.833%0.32847%0.472SS..Hα-helixtrans-62.4-43.8175.2-71.3165000110.5K265 Q266 E271 L272 Y273K265-I269 VanDerWaalsContact O-CG1 3.31Å; K265-I269 WeakPolarHBondContact O-CG1 3.45Å; K265-I269 PolarHBondContact O-N 2.9Å; Q266-I269 WeakPolarHBondContact O-CB 3.37Å; Q266-I269 PolarHBondContact O-N 2.64Å; I269-E271 PolarHBondContact O-N 3.25Å; I269-L272 PolarHBondContact O-N 3.29Å; I269-Y273 HydrophobicContact CG2-CD2 3.68Å; I269-Y273 HydrophobicContact CG2-CE2 3.53Å; I269-Y273 VanDerWaalsContact O-CD2 3.24Å; I269-Y273 WeakPolarHBondContact O-CD2 3.37Å; I269-Y273 PolarHBondContact O-N 3.01Å
270E95.7Very high93.2Very high113 Ų11399 Ų9953%0.52849%0.487SS..Hα-helixtrans-62.8-39.7175.6-72.6170.3-157.700112.5Q266 G267 Y273 K274Q266-E270 PolarHBondContact NE2-OE1 3.42Å; Q266-E270 WeakPolarHBondContact O-CG 3.46Å; Q266-E270 PolarHBondContact O-N 3.18Å; G267-E270 PolarHBondContact O-N 3.03Å; E270-Y273 PolarHBondContact O-N 2.98Å; E270-K274 WeakPolarHBondContact O-CB 3.43Å; E270-K274 PolarHBondContact O-N 3.24Å
271E97.6Very high92.8Very high117 Ų11799.4 Ų99.455%0.54750%0.497SS..Hα-helixtrans-66.8-37.5173.8-173.3165.6-140.900112.3G267 H268 I269 K274 T275G267-E271 PolarHBondContact O-N 3.28Å; H268-E271 PolarHBondContact O-N 3.33Å; I269-E271 PolarHBondContact O-N 3.25Å; E271-K274 PolarHBondContact O-N 2.92Å; E271-T275 WeakPolarHBondContact O-CB 3.47Å; E271-T275 WeakPolarHBondContact O-CG2 3.39Å; E271-T275 PolarHBondContact O-N 2.48Å; E271-T275 PolarHBondContact O-OG1 3.22Å
272L96.8Very high92.4Very high118 Ų118103.5 Ų103.562%0.61851%0.512SS*.Hα-helixtrans-64.5-43.1172.7-73.6173.2000112.1H268 I269 T275 A276H268-L272 WeakPolarHBondContact O-CG 3.33Å; H268-L272 PolarHBondContact O-N 2.98Å; I269-L272 PolarHBondContact O-N 3.29Å; L272-T275 WeakPolarHBondContact CA-OG1 3.48Å; L272-T275 PolarHBondContact O-N 3.33Å; L272-T275 PolarHBondContact O-OG1 3.06Å; L272-T275 VanDerWaalsContact O-OG1 3.06Å; L272-A276 VanDerWaalsContact O-CB 3.25Å; L272-A276 WeakPolarHBondContact O-CB 3.32Å; L272-A276 PolarHBondContact O-N 3.03Å
273Y96.7Very high92.2Very high172 Ų172107.2 Ų107.268%0.67552%0.524SS*.Hα-helixtrans-62.2-44.7174.1-84.9-66.1000112.1I269 E270 A276 E277I269-Y273 HydrophobicContact CG2-CD2 3.68Å; I269-Y273 HydrophobicContact CG2-CE2 3.53Å; I269-Y273 VanDerWaalsContact O-CD2 3.24Å; I269-Y273 WeakPolarHBondContact O-CD2 3.37Å; I269-Y273 PolarHBondContact O-N 3.01Å; E270-Y273 PolarHBondContact O-N 2.98Å; Y273-A276 PolarHBondContact O-N 2.93Å; Y273-E277 PolarHBondContact O-N 2.88Å
274K96.6Very high91.2Very high120 Ų120103.6 Ų103.652%0.52252%0.518SS..Hα-helixtrans-61.5-45.7176.5-179.7-173.4170.6-166.20112.1E270 E271 A276 E277 E278E270-K274 WeakPolarHBondContact O-CB 3.43Å; E270-K274 PolarHBondContact O-N 3.24Å; E271-K274 PolarHBondContact O-N 2.92Å; K274-A276 VanDerWaalsContact C-N 3.33Å; K274-E277 PolarHBondContact O-N 3.43Å; K274-E278 WeakPolarHBondContact CE-OE1 3.37Å; K274-E278 WeakPolarHBondContact O-CB 3.18Å; K274-E278 WeakPolarHBondContact O-CG 2.85Å; K274-E278 PolarHBondContact O-N 3Å
275T94.4Very high90.4Very high60 Ų60103.4 Ų103.437%0.36852%0.52SS..Hα-helixtrans-68-33.4177.852.70000112.1E271 L272 L279E271-T275 WeakPolarHBondContact O-CB 3.47Å; E271-T275 WeakPolarHBondContact O-CG2 3.39Å; E271-T275 PolarHBondContact O-N 2.48Å; E271-T275 PolarHBondContact O-OG1 3.22Å; L272-T275 WeakPolarHBondContact CA-OG1 3.48Å; L272-T275 PolarHBondContact O-N 3.33Å; L272-T275 PolarHBondContact O-OG1 3.06Å; L272-T275 VanDerWaalsContact O-OG1 3.06Å; T275-L279 WeakPolarHBondContact O-CB 3.48Å; T275-L279 VanDerWaalsContact O-CG 3.24Å; T275-L279 WeakPolarHBondContact O-CG 3.43Å; T275-L279 PolarHBondContact O-N 3.43Å
276A93.9Very high89.8Confident50 Ų50106.5 Ų106.541%0.41353%0.533SS..Hα-helixtrans-65.6-42.217200000112.6L272 Y273 K274 L279 Q280L272-A276 VanDerWaalsContact O-CB 3.25Å; L272-A276 WeakPolarHBondContact O-CB 3.32Å; L272-A276 PolarHBondContact O-N 3.03Å; Y273-A276 PolarHBondContact O-N 2.93Å; K274-A276 VanDerWaalsContact C-N 3.33Å; A276-L279 PolarHBondContact O-N 3.41Å; A276-Q280 WeakPolarHBondContact O-CB 3.47Å; A276-Q280 PolarHBondContact O-N 3.23Å
277E92.8Very high88.9Confident127 Ų127110.6 Ų110.659%0.59356%0.556SS**Hα-helixtrans-64.6-46.6173.5-174.7-179-155.900111.3Y273 K274 L279 Q280 V281Y273-E277 PolarHBondContact O-N 2.88Å; K274-E277 PolarHBondContact O-N 3.43Å; E277-L279 VanDerWaalsContact C-N 3.26Å; E277-L279 PolarHBondContact O-N 3.33Å; E277-Q280 WeakPolarHBondContact O-CB 3.44Å; E277-Q280 PolarHBondContact O-N 2.81Å; E277-V281 WeakPolarHBondContact O-CG2 3.43Å; E277-V281 PolarHBondContact O-N 2.91Å
278E91.9Very high88.3Confident78 Ų78113 Ų11336%0.36456%0.559SS.*Hα-helixtrans-58.1-38.9174.4-77.6-167.4-142.900112K274 K282K274-E278 WeakPolarHBondContact CE-OE1 3.37Å; K274-E278 WeakPolarHBondContact O-CB 3.18Å; K274-E278 WeakPolarHBondContact O-CG 2.85Å; K274-E278 PolarHBondContact O-N 3Å; E278-K282 VanDerWaalsContact O-CB 3.26Å; E278-K282 WeakPolarHBondContact O-CB 3.48Å; E278-K282 WeakPolarHBondContact O-CD 3.25Å; E278-K282 WeakPolarHBondContact O-CG 3.34Å; E278-K282 PolarHBondContact O-N 2.87Å; E278-K282 IonicContact OE2-NZ 2.65Å; E278-K282 PolarHBondContact OE2-NZ 3.06Å
279L87.8Confident87.7Confident117 Ų117110.2 Ų110.261%0.61355%0.55SS*.Hα-helixtrans-68.1-42.1173-76.4170000111.5T275 A276 E277 V281 K282 K283T275-L279 WeakPolarHBondContact O-CB 3.48Å; T275-L279 VanDerWaalsContact O-CG 3.24Å; T275-L279 WeakPolarHBondContact O-CG 3.43Å; T275-L279 PolarHBondContact O-N 3.43Å; A276-L279 PolarHBondContact O-N 3.41Å; E277-L279 VanDerWaalsContact C-N 3.26Å; E277-L279 PolarHBondContact O-N 3.33Å; L279-V281 VanDerWaalsContact C-N 3.26Å; L279-V281 PolarHBondContact O-N 3.05Å; L279-K282 PolarHBondContact O-N 3.08Å; L279-K283 WeakPolarHBondContact O-CA 3.39Å; L279-K283 WeakPolarHBondContact O-CB 3.42Å; L279-K283 PolarHBondContact O-N 3.36Å
280Q86Confident87.1Confident161 Ų161110.3 Ų110.375%0.75255%0.549SS*.Hα-helixtrans-59.9-37.5177-173173.16.800112A276 E277A276-Q280 WeakPolarHBondContact O-CB 3.47Å; A276-Q280 PolarHBondContact O-N 3.23Å; E277-Q280 WeakPolarHBondContact O-CB 3.44Å; E277-Q280 PolarHBondContact O-N 2.81Å
281V85.6Confident86.4Confident119 Ų119108.2 Ų108.272%0.72155%0.547SS*.Hα-helixtrans-73.9-39.7175.4173.80000112.5E277 L279E277-V281 WeakPolarHBondContact O-CG2 3.43Å; E277-V281 PolarHBondContact O-N 2.91Å; L279-V281 VanDerWaalsContact C-N 3.26Å; L279-V281 PolarHBondContact O-N 3.05Å
282K81.8Confident85.5Confident139 Ų139108.2 Ų108.260%0.60455%0.547SS*.Hα-helixtrans-89.3-14.7-174.1-66168.3-166.4169.60114.3E278 L279 A284E278-K282 VanDerWaalsContact O-CB 3.26Å; E278-K282 WeakPolarHBondContact O-CB 3.48Å; E278-K282 WeakPolarHBondContact O-CD 3.25Å; E278-K282 WeakPolarHBondContact O-CG 3.34Å; E278-K282 PolarHBondContact O-N 2.87Å; E278-K282 IonicContact OE2-NZ 2.65Å; E278-K282 PolarHBondContact OE2-NZ 3.06Å; L279-K282 PolarHBondContact O-N 3.08Å; K282-A284 PolarHBondContact O-N 2.89Å; K282-A284 VanDerWaalsContact O-N 3.09Å
283K83.3Confident84.8Confident161 Ų161108 Ų10870%0.755%0.545SS*.  trans-74.1100.1-176.8-178.9177.2-173.1177.80110.3L279 D285L279-K283 WeakPolarHBondContact O-CA 3.39Å; L279-K283 WeakPolarHBondContact O-CB 3.42Å; L279-K283 PolarHBondContact O-N 3.36Å; K283-D285 PolarHBondContact O-N 3.35Å
284A68.5Low84Confident58 Ų58105.1 Ų105.148%0.47954%0.536SS..  trans-57.6134.7164.500000109.7K282 K286 V289K282-A284 PolarHBondContact O-N 2.89Å; K282-A284 VanDerWaalsContact O-N 3.09Å; A284-K286 PolarHBondContact O-N 3.3Å; A284-V289 HydrophobicContact CB-CG2 3.63Å
285D78.6Confident83.1Confident105 Ų105102.1 Ų102.156%0.56153%0.534SS*.  trans-57.7126.3-180-76.8-51.9000110.6K283 L287 M288 V289K283-D285 PolarHBondContact O-N 3.35Å; D285-L287 PolarHBondContact O-N 2.88Å; D285-L287 VanDerWaalsContact O-N 3.08Å; D285-M288 HydrophobicContact CB-CB 3.89Å; D285-M288 HydrophobicContact CB-CE 4.24Å; D285-M288 WeakPolarHBondContact O-CA 3.44Å; D285-M288 WeakPolarHBondContact O-CB 3.5Å; D285-M288 PolarHBondContact O-N 2.93Å; D285-V289 PolarHBondContact O-N 3.48Å
286K77.9Confident82.4Confident153 Ų153105 Ų10567%0.66555%0.547SS*.Hα-helixtrans-51.1-38.9177.8176.5175.5172.6177.80111.8A284 E290A284-K286 PolarHBondContact O-N 3.3Å; K286-E290 WeakPolarHBondContact CE-OE1 3.47Å; K286-E290 HydrophobicContact CG-CG 4.48Å; K286-E290 WeakPolarHBondContact CG-OE1 3.43Å; K286-E290 IonicContact NZ-OE1 2.61Å; K286-E290 VanDerWaalsContact O-CB 3.24Å; K286-E290 WeakPolarHBondContact O-CB 3.44Å; K286-E290 VanDerWaalsContact O-CG 3.31Å; K286-E290 WeakPolarHBondContact O-CG 3.23Å; K286-E290 PolarHBondContact O-N 2.94Å
287L74.2Confident81.9Confident140 Ų140108.9 Ų108.973%0.73356%0.555SS**Hα-helixtrans-69.7-36.6178.1-61.7179.2000112.9D285 S291D285-L287 PolarHBondContact O-N 2.88Å; D285-L287 VanDerWaalsContact O-N 3.08Å; L287-S291 WeakPolarHBondContact O-CB 3.08Å; L287-S291 PolarHBondContact O-N 2.91Å; L287-S291 PolarHBondContact O-OG 2.96Å
288M81.6Confident81.3Confident85 Ų85108.6 Ų108.642%0.41956%0.556SS.*Hα-helixtrans-63.7-55.8174.8-175.8-157.4-50.700109.8D285 E290 S291 E292D285-M288 HydrophobicContact CB-CB 3.89Å; D285-M288 HydrophobicContact CB-CE 4.24Å; D285-M288 WeakPolarHBondContact O-CA 3.44Å; D285-M288 WeakPolarHBondContact O-CB 3.5Å; D285-M288 PolarHBondContact O-N 2.93Å; M288-E290 VanDerWaalsContact C-N 3.35Å; M288-E290 PolarHBondContact O-N 2.92Å; M288-S291 WeakPolarHBondContact O-CA 3.24Å; M288-S291 PolarHBondContact O-N 3.28Å; M288-S291 PolarHBondContact O-OG 3.16Å; M288-E292 PolarHBondContact O-N 3.01Å
289V83.7Confident80.9Confident57 Ų57107 Ų10735%0.34556%0.556SS.*Hα-helixtrans-58.6-44.6179.9178.30000111.4A284 D285 S291 I293A284-V289 HydrophobicContact CB-CG2 3.63Å; D285-V289 PolarHBondContact O-N 3.48Å; V289-S291 VanDerWaalsContact C-N 3.31Å; V289-S291 PolarHBondContact O-N 2.65Å; V289-I293 HydrophobicContact CG1-CD1 3.74Å; V289-I293 WeakPolarHBondContact O-CB 3.24Å; V289-I293 VanDerWaalsContact O-CG1 3.29Å; V289-I293 WeakPolarHBondContact O-CG1 3.2Å; V289-I293 PolarHBondContact O-N 3.09Å; V289-I293 VanDerWaalsContact O-N 3.08Å
290E83Confident80.5Confident67 Ų67106.7 Ų106.731%0.31356%0.555SS.*Hα-helixtrans-63.5-35.3174.1-80.9-172.1-14500112.8K286 M288 K294K286-E290 WeakPolarHBondContact CE-OE1 3.47Å; K286-E290 HydrophobicContact CG-CG 4.48Å; K286-E290 WeakPolarHBondContact CG-OE1 3.43Å; K286-E290 IonicContact NZ-OE1 2.61Å; K286-E290 VanDerWaalsContact O-CB 3.24Å; K286-E290 WeakPolarHBondContact O-CB 3.44Å; K286-E290 VanDerWaalsContact O-CG 3.31Å; K286-E290 WeakPolarHBondContact O-CG 3.23Å; K286-E290 PolarHBondContact O-N 2.94Å; M288-E290 VanDerWaalsContact C-N 3.35Å; M288-E290 PolarHBondContact O-N 2.92Å; E290-K294 WeakPolarHBondContact O-CB 3.21Å; E290-K294 VanDerWaalsContact O-CD 3.24Å; E290-K294 WeakPolarHBondContact O-CD 3.34Å; E290-K294 WeakPolarHBondContact O-CG 3.47Å; E290-K294 PolarHBondContact O-N 3.44Å; E290-K294 IonicContact OE2-NZ 3.93Å; E290-K294 PolarHBondContact OE2-NZ 3.14Å
291S80.9Confident80.2Confident69 Ų69102.9 Ų102.948%0.48354%0.54SS..Hα-helixtrans-71.6-40.2-179.7740000112.5L287 M288 V289 K294 A295L287-S291 WeakPolarHBondContact O-CB 3.08Å; L287-S291 PolarHBondContact O-N 2.91Å; L287-S291 PolarHBondContact O-OG 2.96Å; M288-S291 WeakPolarHBondContact O-CA 3.24Å; M288-S291 PolarHBondContact O-N 3.28Å; M288-S291 PolarHBondContact O-OG 3.16Å; V289-S291 VanDerWaalsContact C-N 3.31Å; V289-S291 PolarHBondContact O-N 2.65Å; S291-K294 PolarHBondContact O-N 3.17Å; S291-A295 VanDerWaalsContact O-CB 3.3Å; S291-A295 WeakPolarHBondContact O-CB 3.31Å; S291-A295 PolarHBondContact O-N 3.48Å
292E78.9Confident79.9Confident116 Ų116102.3 Ų102.354%0.54254%0.541SS..Hα-helixtrans-65.5-50.9175.7-68.5-178.1161.800110.9M288 K294 A295 D296M288-E292 PolarHBondContact O-N 3.01Å; E292-K294 VanDerWaalsContact C-N 3.3Å; E292-K294 PolarHBondContact O-N 3.24Å; E292-A295 WeakPolarHBondContact O-CB 3.24Å; E292-A295 PolarHBondContact O-N 3.39Å; E292-A295 VanDerWaalsContact O-N 3.09Å; E292-D296 PolarHBondContact O-N 2.85Å
293I82.3Confident79.9Confident113 Ų113103.9 Ų103.958%0.57955%0.548SS*.Hα-helixtrans-60.8-38.4178-65.6170.9000111.5V289 K297V289-I293 HydrophobicContact CG1-CD1 3.74Å; V289-I293 WeakPolarHBondContact O-CB 3.24Å; V289-I293 VanDerWaalsContact O-CG1 3.29Å; V289-I293 WeakPolarHBondContact O-CG1 3.2Å; V289-I293 PolarHBondContact O-N 3.09Å; V289-I293 VanDerWaalsContact O-N 3.08Å; I293-K297 WeakPolarHBondContact O-CB 2.99Å; I293-K297 PolarHBondContact O-N 3.36Å
294K81.4Confident79.6Confident112 Ų11299.4 Ų99.449%0.48753%0.534SS..Hα-helixtrans-69.8-37.3175.4-74166.5-165.8164.80112E290 S291 E292 K297 L298E290-K294 WeakPolarHBondContact O-CB 3.21Å; E290-K294 VanDerWaalsContact O-CD 3.24Å; E290-K294 WeakPolarHBondContact O-CD 3.34Å; E290-K294 WeakPolarHBondContact O-CG 3.47Å; E290-K294 PolarHBondContact O-N 3.44Å; E290-K294 IonicContact OE2-NZ 3.93Å; E290-K294 PolarHBondContact OE2-NZ 3.14Å; S291-K294 PolarHBondContact O-N 3.17Å; E292-K294 VanDerWaalsContact C-N 3.3Å; E292-K294 PolarHBondContact O-N 3.24Å; K294-K297 PolarHBondContact O-N 3.18Å; K294-L298 WeakPolarHBondContact O-CB 3.26Å; K294-L298 VanDerWaalsContact O-CG 3.24Å; K294-L298 WeakPolarHBondContact O-CG 3.34Å; K294-L298 PolarHBondContact O-N 3.14Å
295A76.6Confident80.3Confident57 Ų5798.9 Ų98.947%0.47153%0.526SS..Hα-helixtrans-64.1-46176.200000111.3S291 E292 L298 A299S291-A295 VanDerWaalsContact O-CB 3.3Å; S291-A295 WeakPolarHBondContact O-CB 3.31Å; S291-A295 PolarHBondContact O-N 3.48Å; E292-A295 WeakPolarHBondContact O-CB 3.24Å; E292-A295 PolarHBondContact O-N 3.39Å; E292-A295 VanDerWaalsContact O-N 3.09Å; A295-L298 PolarHBondContact O-N 3.43Å; A295-A299 VanDerWaalsContact O-CB 3.28Å; A295-A299 WeakPolarHBondContact O-CB 3.46Å; A295-A299 PolarHBondContact O-N 3.32Å
296D79.2Confident80.5Confident121 Ų121102.7 Ų102.765%0.64753%0.533SS*.Hα-helixtrans-63.7-43176.4-80.9-14.8000112.1E292 A299 L300E292-D296 PolarHBondContact O-N 2.85Å; D296-A299 PolarHBondContact O-N 3.17Å; D296-L300 WeakPolarHBondContact O-CB 3.43Å; D296-L300 PolarHBondContact O-N 3.2Å
297K83.7Confident80.9Confident132 Ų132102 Ų10257%0.57454%0.536SS*.Hα-helixtrans-58.7-49.2174-177.6-179174.9-176.90111.7I293 K294 A299 L300 D301I293-K297 WeakPolarHBondContact O-CB 2.99Å; I293-K297 PolarHBondContact O-N 3.36Å; K294-K297 PolarHBondContact O-N 3.18Å; K297-A299 VanDerWaalsContact C-N 3.33Å; K297-A299 PolarHBondContact O-N 2.68Å; K297-L300 PolarHBondContact O-N 3.42Å; K297-D301 WeakPolarHBondContact CE-OD2 3.49Å; K297-D301 WeakPolarHBondContact O-CB 3.35Å; K297-D301 PolarHBondContact O-N 3.07Å
298L80.6Confident81.4Confident120 Ų120102.2 Ų102.263%0.62853%0.533SS*.Hα-helixtrans-66.2-35.1179.5-70.8171.6000112.3K294 A295 L300 S302K294-L298 WeakPolarHBondContact O-CB 3.26Å; K294-L298 VanDerWaalsContact O-CG 3.24Å; K294-L298 WeakPolarHBondContact O-CG 3.34Å; K294-L298 PolarHBondContact O-N 3.14Å; A295-L298 PolarHBondContact O-N 3.43Å; L298-L300 VanDerWaalsContact C-N 3.33Å; L298-S302 WeakPolarHBondContact O-CB 3.46Å; L298-S302 PolarHBondContact O-N 2.63Å
299A83.1Confident81.7Confident44 Ų44103.9 Ų103.936%0.36454%0.538SS..Hα-helixtrans-67.9-32.6174.600000112.4A295 D296 K297 K303A295-A299 VanDerWaalsContact O-CB 3.28Å; A295-A299 WeakPolarHBondContact O-CB 3.46Å; A295-A299 PolarHBondContact O-N 3.32Å; D296-A299 PolarHBondContact O-N 3.17Å; K297-A299 VanDerWaalsContact C-N 3.33Å; K297-A299 PolarHBondContact O-N 2.68Å; A299-K303 WeakPolarHBondContact O-CD 3.14Å; A299-K303 VanDerWaalsContact O-CG 3.28Å; A299-K303 WeakPolarHBondContact O-CG 3.36Å; A299-K303 PolarHBondContact O-N 3.3Å
300L79.1Confident82.2Confident111 Ų111103.9 Ų103.958%0.58154%0.537SS*.Hα-helixtrans-73.5-52.4173.2-174.962.5000111.4D296 K297 L298 S302 K303 V304D296-L300 WeakPolarHBondContact O-CB 3.43Å; D296-L300 PolarHBondContact O-N 3.2Å; K297-L300 PolarHBondContact O-N 3.42Å; L298-L300 VanDerWaalsContact C-N 3.33Å; L300-S302 PolarHBondContact O-N 2.87Å; L300-K303 PolarHBondContact O-N 2.81Å; L300-V304 PolarHBondContact O-N 2.96Å
301D79.6Confident82.7Confident81 Ų81103.1 Ų103.143%0.43354%0.542SS..Hα-helixtrans-56.5-33.5178.3-73.9-23.7000112K297K297-D301 WeakPolarHBondContact CE-OD2 3.49Å; K297-D301 WeakPolarHBondContact O-CB 3.35Å; K297-D301 PolarHBondContact O-N 3.07Å
302S80.9Confident83.2Confident107 Ų107102.4 Ų102.475%0.74854%0.54SS*.Hα-helixtrans-74.2-28.8175.8-178.30000114.1L298 L300L298-S302 WeakPolarHBondContact O-CB 3.46Å; L298-S302 PolarHBondContact O-N 2.63Å; L300-S302 PolarHBondContact O-N 2.87Å
303K81.1Confident84Confident172 Ų17299.9 Ų99.975%0.74853%0.532SS*.Hα-helixtrans-91.4-36-178.5-76.1174.9-178.6174.40113A299 L300A299-K303 WeakPolarHBondContact O-CD 3.14Å; A299-K303 VanDerWaalsContact O-CG 3.28Å; A299-K303 WeakPolarHBondContact O-CG 3.36Å; A299-K303 PolarHBondContact O-N 3.3Å; L300-K303 PolarHBondContact O-N 2.81Å
304V76.6Confident84.6Confident68 Ų68101.1 Ų101.141%0.41254%0.536SS..  trans-138.9104.1-178.8-178.30000107.6L300 R306 F309L300-V304 PolarHBondContact O-N 2.96Å; V304-R306 PolarHBondContact O-N 3.43Å; V304-F309 HydrophobicContact CG1-CB 3.74Å; V304-F309 HydrophobicContact CG1-CD2 4.41Å; V304-F309 HydrophobicContact CG1-CG 4.35Å
305S83.2Confident85.4Confident46 Ų46101.7 Ų101.732%0.32254%0.54SS..  trans-65119.8164.91800000107.8L307 Q308 F309S305-L307 PolarHBondContact O-N 2.93Å; S305-Q308 WeakPolarHBondContact O-CB 3.29Å; S305-Q308 PolarHBondContact O-N 2.95Å; S305-F309 PolarHBondContact O-N 2.93Å; S305-F309 VanDerWaalsContact O-N 3.07Å
306R82.3Confident86.3Confident185 Ų185102.8 Ų102.870%0.69854%0.538SS*.Hα-helixtrans-53.7-40179.7179.8152.1-176.7168.5-0.4112.3V304 Q308 F309 D310V304-R306 PolarHBondContact O-N 3.43Å; R306-Q308 VanDerWaalsContact C-N 3.29Å; R306-Q308 PolarHBondContact O-N 2.71Å; R306-F309 PolarHBondContact O-N 3.02Å; R306-D310 WeakPolarHBondContact CG-OD2 3.33Å; R306-D310 IonicContact NE-OD2 2.66Å; R306-D310 PolarHBondContact NE-OD2 2.82Å; R306-D310 WeakPolarHBondContact O-CB 3.41Å; R306-D310 PolarHBondContact O-N 3.37Å
307L86.3Confident87.1Confident140 Ų140100 Ų10073%0.73353%0.525SS*.Hα-helixtrans-59.9-35.2175.2-62175.2000113.4S305 A311S305-L307 PolarHBondContact O-N 2.93Å; L307-A311 WeakPolarHBondContact O-CB 3.38Å; L307-A311 PolarHBondContact O-N 3.24Å
308Q85.4Confident87.8Confident144 Ų14497.4 Ų97.467%0.67352%0.523SS*.Hα-helixtrans-75.7-36.9177-67.8176.2-12.700111.8S305 R306 A312S305-Q308 WeakPolarHBondContact O-CB 3.29Å; S305-Q308 PolarHBondContact O-N 2.95Å; R306-Q308 VanDerWaalsContact C-N 3.29Å; R306-Q308 PolarHBondContact O-N 2.71Å; Q308-A312 VanDerWaalsContact O-CB 3.28Å; Q308-A312 WeakPolarHBondContact O-CB 3.49Å; Q308-A312 PolarHBondContact O-N 3.31Å
309F88.4Confident88.6Confident120 Ų12095.6 Ų95.653%0.52651%0.513SS..Hα-helixtrans-67-49.2175-178.5-92.8000111.2V304 S305 R306 A311 A312 T313V304-F309 HydrophobicContact CG1-CB 3.74Å; V304-F309 HydrophobicContact CG1-CD2 4.41Å; V304-F309 HydrophobicContact CG1-CG 4.35Å; S305-F309 PolarHBondContact O-N 2.93Å; S305-F309 VanDerWaalsContact O-N 3.07Å; R306-F309 PolarHBondContact O-N 3.02Å; F309-A311 PolarHBondContact O-N 3.34Å; F309-A312 PolarHBondContact O-N 2.99Å; F309-A312 VanDerWaalsContact O-N 3.17Å; F309-T313 WeakPolarHBondContact O-CB 3.29Å; F309-T313 PolarHBondContact O-N 3.29Å; F309-T313 PolarHBondContact O-OG1 3Å; F309-T313 VanDerWaalsContact O-OG1 3.12Å
310D93Very high89.2Confident57 Ų5799.1 Ų99.131%0.30552%0.52SS..Hα-helixtrans-60-46.2178.2-64.9-19.5000109.9R306 A312 T313 E314R306-D310 WeakPolarHBondContact CG-OD2 3.33Å; R306-D310 IonicContact NE-OD2 2.66Å; R306-D310 PolarHBondContact NE-OD2 2.82Å; R306-D310 WeakPolarHBondContact O-CB 3.41Å; R306-D310 PolarHBondContact O-N 3.37Å; D310-A312 PolarHBondContact O-N 2.9Å; D310-T313 PolarHBondContact O-N 3.45Å; D310-E314 WeakPolarHBondContact O-CB 3.47Å; D310-E314 WeakPolarHBondContact O-CG 3.24Å; D310-E314 PolarHBondContact O-N 3.09Å
311A93.7Very high90.1Very high51 Ų5199.1 Ų99.142%0.42152%0.517SS..Hα-helixtrans-62.1-38.2174.700000113.7L307 F309 Q315L307-A311 WeakPolarHBondContact O-CB 3.38Å; L307-A311 PolarHBondContact O-N 3.24Å; F309-A311 PolarHBondContact O-N 3.34Å; A311-Q315 WeakPolarHBondContact O-CB 3.36Å; A311-Q315 PolarHBondContact O-N 2.89Å
312A92.3Very high90.9Very high54 Ų54100 Ų10045%0.44652%0.518SS..Hα-helixtrans-69.5-36.1175.400000112Q308 F309 D310 L316Q308-A312 VanDerWaalsContact O-CB 3.28Å; Q308-A312 WeakPolarHBondContact O-CB 3.49Å; Q308-A312 PolarHBondContact O-N 3.31Å; F309-A312 PolarHBondContact O-N 2.99Å; F309-A312 VanDerWaalsContact O-N 3.17Å; D310-A312 PolarHBondContact O-N 2.9Å; A312-L316 VanDerWaalsContact O-CB 3.3Å; A312-L316 WeakPolarHBondContact O-CB 3.39Å; A312-L316 PolarHBondContact O-N 3.45Å
313T94.6Very high91.6Very high62 Ų62100 Ų10038%0.3851%0.509SS..Hα-helixtrans-67.6-43.1173.4-63.40000111.5F309 D310 L316 T317F309-T313 WeakPolarHBondContact O-CB 3.29Å; F309-T313 PolarHBondContact O-N 3.29Å; F309-T313 PolarHBondContact O-OG1 3Å; F309-T313 VanDerWaalsContact O-OG1 3.12Å; D310-T313 PolarHBondContact O-N 3.45Å; T313-L316 PolarHBondContact O-N 3.01Å; T313-T317 VanDerWaalsContact O-CB 3.27Å; T313-T317 WeakPolarHBondContact O-CB 3.3Å; T313-T317 PolarHBondContact O-N 2.74Å; T313-T317 PolarHBondContact O-OG1 2.68Å
314E96.3Very high92.4Very high139 Ų13996.8 Ų96.865%0.6550%0.5SS*.Hα-helixtrans-61.9-44.8173.1-74.8179.3176.500111.7D310 L316 T317 S318D310-E314 WeakPolarHBondContact O-CB 3.47Å; D310-E314 WeakPolarHBondContact O-CG 3.24Å; D310-E314 PolarHBondContact O-N 3.09Å; E314-L316 PolarHBondContact O-N 3.09Å; E314-T317 PolarHBondContact O-N 3.21Å; E314-S318 WeakPolarHBondContact O-CB 3.48Å; E314-S318 PolarHBondContact O-N 2.86Å
315Q96.6Very high93.3Very high124 Ų12498.9 Ų98.958%0.57951%0.509SS*.Hα-helixtrans-59.8-46.8174.8-175.4-174.9-9.300111.4A311 T317 S318 M319A311-Q315 WeakPolarHBondContact O-CB 3.36Å; A311-Q315 PolarHBondContact O-N 2.89Å; Q315-T317 VanDerWaalsContact C-N 3.35Å; Q315-T317 PolarHBondContact O-N 3.49Å; Q315-S318 PolarHBondContact O-N 3.16Å; Q315-M319 HydrophobicContact CG-CE 4.31Å; Q315-M319 WeakPolarHBondContact O-CG 3Å; Q315-M319 PolarHBondContact O-N 3.34Å
316L96.7Very high93.9Very high80 Ų80102 Ų10242%0.41952%0.517SS..Hα-helixtrans-63.2-41.5177.7-178.860.5000111.8A312 T313 E314 M319 F320A312-L316 VanDerWaalsContact O-CB 3.3Å; A312-L316 WeakPolarHBondContact O-CB 3.39Å; A312-L316 PolarHBondContact O-N 3.45Å; T313-L316 PolarHBondContact O-N 3.01Å; E314-L316 PolarHBondContact O-N 3.09Å; L316-M319 HydrophobicContact CB-CE 4.45Å; L316-M319 HydrophobicContact CD1-CE 3.98Å; L316-M319 PolarHBondContact O-N 2.94Å; L316-F320 HydrophobicContact CD1-CD2 4.07Å; L316-F320 HydrophobicContact CD1-CE2 3.57Å; L316-F320 HydrophobicContact CD1-CZ 3.86Å; L316-F320 HydrophobicContact CD2-CE2 3.92Å; L316-F320 HydrophobicContact CG-CD2 3.87Å; L316-F320 HydrophobicContact CG-CE2 3.47Å; L316-F320 VanDerWaalsContact CG-CE2 3.47Å; L316-F320 HydrophobicContact CG-CZ 4.25Å; L316-F320 VanDerWaalsContact O-CD2 3.26Å; L316-F320 WeakPolarHBondContact O-CD2 3.28Å; L316-F320 PolarHBondContact O-N 2.85Å
317T96.9Very high94.5Very high62 Ų6298.9 Ų98.938%0.3851%0.511SS..Hα-helixtrans-63.3-42.2176-600000110.9T313 E314 Q315 F320 H321T313-T317 VanDerWaalsContact O-CB 3.27Å; T313-T317 WeakPolarHBondContact O-CB 3.3Å; T313-T317 PolarHBondContact O-N 2.74Å; T313-T317 PolarHBondContact O-OG1 2.68Å; E314-T317 PolarHBondContact O-N 3.21Å; Q315-T317 VanDerWaalsContact C-N 3.35Å; Q315-T317 PolarHBondContact O-N 3.49Å; T317-F320 PolarHBondContact O-N 3.41Å; T317-H321 PolarHBondContact O-N 3.01Å; T317-H321 PolarHBondContact O-ND1 2.88Å
318S96.9Very high94.9Very high78 Ų7895.6 Ų95.655%0.54550%0.498SS..Hα-helixtrans-62.3-46.2174.8-175.10000111.7E314 Q315 F320 H321 E322E314-S318 WeakPolarHBondContact O-CB 3.48Å; E314-S318 PolarHBondContact O-N 2.86Å; Q315-S318 PolarHBondContact O-N 3.16Å; S318-F320 PolarHBondContact O-N 2.96Å; S318-H321 PolarHBondContact O-N 3.41Å; S318-E322 WeakPolarHBondContact O-CB 3.32Å; S318-E322 PolarHBondContact O-N 3.01Å
319M96.9Very high95.4Very high82 Ų8290.1 Ų90.140%0.40448%0.48SS..Hα-helixtrans-60.7-42175.1-70-173.5-60.200111.9Q315 L316 E322 L323Q315-M319 HydrophobicContact CG-CE 4.31Å; Q315-M319 WeakPolarHBondContact O-CG 3Å; Q315-M319 PolarHBondContact O-N 3.34Å; L316-M319 HydrophobicContact CB-CE 4.45Å; L316-M319 HydrophobicContact CD1-CE 3.98Å; L316-M319 PolarHBondContact O-N 2.94Å; M319-E322 PolarHBondContact O-N 3.09Å; M319-L323 WeakPolarHBondContact O-CD1 3.45Å; M319-L323 PolarHBondContact O-N 3.31Å
320F96.8Very high95.7Very high118 Ų11889.4 Ų89.452%0.51848%0.478SS..Hα-helixtrans-63.3-44.3175.7-76.9-49.1000112.6L316 T317 S318 E322 L323 L324L316-F320 HydrophobicContact CD1-CD2 4.07Å; L316-F320 HydrophobicContact CD1-CE2 3.57Å; L316-F320 HydrophobicContact CD1-CZ 3.86Å; L316-F320 HydrophobicContact CD2-CE2 3.92Å; L316-F320 HydrophobicContact CG-CD2 3.87Å; L316-F320 HydrophobicContact CG-CE2 3.47Å; L316-F320 VanDerWaalsContact CG-CE2 3.47Å; L316-F320 HydrophobicContact CG-CZ 4.25Å; L316-F320 VanDerWaalsContact O-CD2 3.26Å; L316-F320 WeakPolarHBondContact O-CD2 3.28Å; L316-F320 PolarHBondContact O-N 2.85Å; T317-F320 PolarHBondContact O-N 3.41Å; S318-F320 PolarHBondContact O-N 2.96Å; F320-E322 VanDerWaalsContact C-N 3.3Å; F320-E322 PolarHBondContact O-N 3.5Å; F320-L323 PolarHBondContact O-N 3.08Å; F320-L324 WeakPolarHBondContact O-CB 3.16Å; F320-L324 VanDerWaalsContact O-CG 3.26Å; F320-L324 WeakPolarHBondContact O-CG 3.42Å; F320-L324 PolarHBondContact O-N 2.93Å
321H96.9Very high95.9Very high111 Ų11191.5 Ų91.551%0.51449%0.486SS..Hα-helixtrans-63.2-37.4175-74.885.2000111.9T317 S318 N325T317-H321 PolarHBondContact O-N 3.01Å; T317-H321 PolarHBondContact O-ND1 2.88Å; S318-H321 PolarHBondContact O-N 3.41Å; H321-N325 VanDerWaalsContact O-CB 3.29Å; H321-N325 WeakPolarHBondContact O-CB 3.28Å; H321-N325 PolarHBondContact O-N 2.57Å; H321-N325 PolarHBondContact O-ND2 2.98Å
322E96.6Very high96Very high99 Ų9994.8 Ų94.846%0.46349%0.492SS..Hα-helixtrans-66.7-41.8175.6-161.5-168168.700112.1S318 M319 F320 K326S318-E322 WeakPolarHBondContact O-CB 3.32Å; S318-E322 PolarHBondContact O-N 3.01Å; M319-E322 PolarHBondContact O-N 3.09Å; F320-E322 VanDerWaalsContact C-N 3.3Å; F320-E322 PolarHBondContact O-N 3.5Å; E322-K326 HydrophobicContact CG-CD 4.46Å; E322-K326 WeakPolarHBondContact O-CB 3.39Å; E322-K326 VanDerWaalsContact O-CG 3.27Å; E322-K326 WeakPolarHBondContact O-CG 3.13Å; E322-K326 PolarHBondContact O-N 3.5Å; E322-K326 VanDerWaalsContact OE1-CE 3.22Å; E322-K326 WeakPolarHBondContact OE1-CE 3.47Å; E322-K326 IonicContact OE1-NZ 3.95Å; E322-K326 PolarHBondContact OE1-NZ 3.31Å; E322-K326 IonicContact OE2-NZ 2.9Å
323L96.9Very high96.1Very high107 Ų10796.1 Ų96.156%0.5649%0.492SS*.Hα-helixtrans-65.1-44.8174.6-95.275000111.7M319 F320 K326 M327M319-L323 WeakPolarHBondContact O-CD1 3.45Å; M319-L323 PolarHBondContact O-N 3.31Å; F320-L323 PolarHBondContact O-N 3.08Å; L323-K326 PolarHBondContact O-N 3.28Å; L323-M327 WeakPolarHBondContact O-CB 3.28Å; L323-M327 PolarHBondContact O-N 3.1Å
324L96.7Very high96.2Very high105 Ų105101.2 Ų101.255%0.5550%0.504SS..Hα-helixtrans-60.7-47.6177-73.8169.1000111F320 K326 M327 T328F320-L324 WeakPolarHBondContact O-CB 3.16Å; F320-L324 VanDerWaalsContact O-CG 3.26Å; F320-L324 WeakPolarHBondContact O-CG 3.42Å; F320-L324 PolarHBondContact O-N 2.93Å; L324-K326 VanDerWaalsContact C-N 3.3Å; L324-K326 PolarHBondContact O-N 3.06Å; L324-M327 PolarHBondContact O-N 3.49Å; L324-M327 VanDerWaalsContact O-N 3.15Å; L324-T328 WeakPolarHBondContact O-CG2 3.28Å; L324-T328 PolarHBondContact O-N 3.01Å; L324-T328 PolarHBondContact O-OG1 3.42Å; L324-T328 VanDerWaalsContact O-OG1 3.08Å
325N95.8Very high96.3Very high113 Ų113100 Ų10060%0.60450%0.498SS*.Hα-helixtrans-63.3-32.8177.4-72.2-20000113.1H321 T328 G329H321-N325 VanDerWaalsContact O-CB 3.29Å; H321-N325 WeakPolarHBondContact O-CB 3.28Å; H321-N325 PolarHBondContact O-N 2.57Å; H321-N325 PolarHBondContact O-ND2 2.98Å; N325-T328 PolarHBondContact O-OG1 2.86Å; N325-G329 PolarHBondContact O-N 3.28Å; N325-G329 VanDerWaalsContact O-N 3.1Å
326K96.7Very high96.3Very high111 Ų11197.8 Ų97.848%0.48349%0.488SS..Hα-helixtrans-70.3-40.4173.1-75.4168.1-175.9167.90111.8E322 L323 L324 Q330E322-K326 HydrophobicContact CG-CD 4.46Å; E322-K326 WeakPolarHBondContact O-CB 3.39Å; E322-K326 VanDerWaalsContact O-CG 3.27Å; E322-K326 WeakPolarHBondContact O-CG 3.13Å; E322-K326 PolarHBondContact O-N 3.5Å; E322-K326 VanDerWaalsContact OE1-CE 3.22Å; E322-K326 WeakPolarHBondContact OE1-CE 3.47Å; E322-K326 IonicContact OE1-NZ 3.95Å; E322-K326 PolarHBondContact OE1-NZ 3.31Å; E322-K326 IonicContact OE2-NZ 2.9Å; L323-K326 PolarHBondContact O-N 3.28Å; L324-K326 VanDerWaalsContact C-N 3.3Å; L324-K326 PolarHBondContact O-N 3.06Å; K326-Q330 WeakPolarHBondContact O-CG 3.38Å; K326-Q330 PolarHBondContact O-N 2.84Å; K326-Q330 VanDerWaalsContact O-N 3.08Å
327M94.6Very high96.3Very high119 Ų11998.4 Ų98.459%0.58649%0.491SS*.Hα-helixtrans-66.7-49.1178.3-175.566.3-166.600111.5L323 L324 G329 Q330 E331L323-M327 WeakPolarHBondContact O-CB 3.28Å; L323-M327 PolarHBondContact O-N 3.1Å; L324-M327 PolarHBondContact O-N 3.49Å; L324-M327 VanDerWaalsContact O-N 3.15Å; M327-G329 VanDerWaalsContact C-N 3.31Å; M327-G329 PolarHBondContact O-N 2.81Å; M327-Q330 PolarHBondContact O-N 3.21Å; M327-E331 WeakPolarHBondContact O-CB 3.39Å; M327-E331 PolarHBondContact O-N 3.46Å
328T94.9Very high96.2Very high72 Ų7299.9 Ų99.944%0.44250%0.5SS..Hα-helixtrans-67.6-31.417955.90000112.5L324 N325 H332L324-T328 WeakPolarHBondContact O-CG2 3.28Å; L324-T328 PolarHBondContact O-N 3.01Å; L324-T328 PolarHBondContact O-OG1 3.42Å; L324-T328 VanDerWaalsContact O-OG1 3.08Å; N325-T328 PolarHBondContact O-OG1 2.86Å; T328-H332 WeakPolarHBondContact O-CB 3.39Å; T328-H332 PolarHBondContact O-N 2.9Å
329G94.8Very high96.1Very high29 Ų29101.1 Ų101.130%0.29950%0.5SS..Hα-helixtrans-61.2-50.5169.200000112.2N325 M327 E331 H332 D333N325-G329 PolarHBondContact O-N 3.28Å; N325-G329 VanDerWaalsContact O-N 3.1Å; M327-G329 VanDerWaalsContact C-N 3.31Å; M327-G329 PolarHBondContact O-N 2.81Å; G329-E331 VanDerWaalsContact C-N 3.35Å; G329-E331 PolarHBondContact O-N 3.16Å; G329-H332 PolarHBondContact O-N 2.71Å; G329-D333 PolarHBondContact O-N 2.93Å
330Q96Very high96Very high104 Ų104102.2 Ų102.249%0.48650%0.503SS..Hα-helixtrans-62.1-40.5176.6-73.8178.5-0.200112.5K326 M327 H332 D333 W334K326-Q330 WeakPolarHBondContact O-CG 3.38Å; K326-Q330 PolarHBondContact O-N 2.84Å; K326-Q330 VanDerWaalsContact O-N 3.08Å; M327-Q330 PolarHBondContact O-N 3.21Å; Q330-H332 VanDerWaalsContact C-N 3.34Å; Q330-H332 PolarHBondContact O-N 3.42Å; Q330-D333 PolarHBondContact O-N 3.26Å; Q330-W334 PolarHBondContact O-N 3.06Å
331E95.9Very high95.8Very high101 Ų101101.9 Ų101.947%0.47251%0.506SS..Hα-helixtrans-57.8-46.2174.1-175177.9-175.600111.3M327 G329 W334 H335M327-E331 WeakPolarHBondContact O-CB 3.39Å; M327-E331 PolarHBondContact O-N 3.46Å; G329-E331 VanDerWaalsContact C-N 3.35Å; G329-E331 PolarHBondContact O-N 3.16Å; E331-W334 PolarHBondContact O-N 3Å; E331-H335 PolarHBondContact O-CD2 2.99Å; E331-H335 PolarHBondContact O-N 2.98Å
332H95.3Very high95.5Very high121 Ų12199.4 Ų99.456%0.5650%0.501SS*.Hα-helixtrans-63.7-42175.8-172.867.8000112.9T328 G329 Q330 W334 H335 Q336T328-H332 WeakPolarHBondContact O-CB 3.39Å; T328-H332 PolarHBondContact O-N 2.9Å; G329-H332 PolarHBondContact O-N 2.71Å; Q330-H332 VanDerWaalsContact C-N 3.34Å; Q330-H332 PolarHBondContact O-N 3.42Å; H332-W334 VanDerWaalsContact C-N 3.34Å; H332-W334 PolarHBondContact O-N 3.33Å; H332-H335 PolarHBondContact O-N 3.27Å; H332-Q336 WeakPolarHBondContact O-CB 3.16Å; H332-Q336 PolarHBondContact O-N 2.7Å
333D96.4Very high95.1Very high81 Ų8198 Ų9843%0.43350%0.5SS..Hα-helixtrans-62.5-40.7176.5-68.4-29.9000111.5G329 Q330 Q336 L337G329-D333 PolarHBondContact O-N 2.93Å; Q330-D333 PolarHBondContact O-N 3.26Å; D333-Q336 PolarHBondContact O-N 3.41Å; D333-L337 WeakPolarHBondContact O-CG 3.44Å; D333-L337 PolarHBondContact O-N 2.94Å
334W96.5Very high94.7Very high170 Ų17096.7 Ų96.764%0.64449%0.493SS*.Hα-helixtrans-64.9-44.5174.4-76.5120000112.3Q330 E331 H332 Q336 L337 V338Q330-W334 PolarHBondContact O-N 3.06Å; E331-W334 PolarHBondContact O-N 3Å; H332-W334 VanDerWaalsContact C-N 3.34Å; H332-W334 PolarHBondContact O-N 3.33Å; W334-Q336 VanDerWaalsContact C-N 3.31Å; W334-Q336 PolarHBondContact O-N 2.81Å; W334-L337 HydrophobicContact CE3-CD1 4.06Å; W334-L337 HydrophobicContact CZ3-CD1 4.12Å; W334-L337 PolarHBondContact O-N 2.79Å; W334-V338 WeakPolarHBondContact O-CG2 3.44Å; W334-V338 PolarHBondContact O-N 2.9Å
335H96.7Very high94Very high112 Ų11296.8 Ų96.852%0.51949%0.492SS..Hα-helixtrans-57.6-46173.6-81.4-129.6000110.7E331 H332 L337 V338 D339E331-H335 PolarHBondContact O-CD2 2.99Å; E331-H335 PolarHBondContact O-N 2.98Å; H332-H335 PolarHBondContact O-N 3.27Å; H335-L337 VanDerWaalsContact C-N 3.33Å; H335-L337 PolarHBondContact O-N 3.49Å; H335-V338 PolarHBondContact O-N 3.2Å; H335-D339 PolarHBondContact O-N 2.82Å
336Q96.9Very high93.3Very high79 Ų7997.3 Ų97.337%0.36949%0.491SS..Hα-helixtrans-63.8-35.6178-165.7-169.294.900112.9H332 D333 W334 K340H332-Q336 WeakPolarHBondContact O-CB 3.16Å; H332-Q336 PolarHBondContact O-N 2.7Å; D333-Q336 PolarHBondContact O-N 3.41Å; W334-Q336 VanDerWaalsContact C-N 3.31Å; W334-Q336 PolarHBondContact O-N 2.81Å; Q336-K340 HydrophobicContact CG-CD 4.37Å; Q336-K340 WeakPolarHBondContact O-CB 3.43Å; Q336-K340 WeakPolarHBondContact O-CD 3.42Å; Q336-K340 WeakPolarHBondContact O-CG 3.49Å; Q336-K340 PolarHBondContact O-N 3.07Å
337L96.4Very high92.4Very high92 Ų9296.4 Ų96.448%0.48250%0.497SS..Hα-helixtrans-69.7-37.4174-74.7175000112.4D333 W334 H335 L341D333-L337 WeakPolarHBondContact O-CG 3.44Å; D333-L337 PolarHBondContact O-N 2.94Å; W334-L337 HydrophobicContact CE3-CD1 4.06Å; W334-L337 HydrophobicContact CZ3-CD1 4.12Å; W334-L337 PolarHBondContact O-N 2.79Å; H335-L337 VanDerWaalsContact C-N 3.33Å; H335-L337 PolarHBondContact O-N 3.49Å; L337-L341 VanDerWaalsContact O-CB 3.32Å; L337-L341 WeakPolarHBondContact O-CB 3.45Å; L337-L341 PolarHBondContact O-N 3.31Å
338V95.5Very high91.6Very high93 Ų9397.9 Ų97.956%0.56450%0.501SS*.Hα-helixtrans-65.6-46.2174169.90000110.6W334 H335 L341 S342W334-V338 WeakPolarHBondContact O-CG2 3.44Å; W334-V338 PolarHBondContact O-N 2.9Å; H335-V338 PolarHBondContact O-N 3.2Å; V338-L341 PolarHBondContact O-N 3.19Å; V338-S342 PolarHBondContact O-N 3.12Å
339D95.2Very high90.3Very high104 Ų10498.7 Ų98.756%0.55650%0.502SS*.Hα-helixtrans-59.6-48.5175.9-69.9-22.6000111H335 L341 S342 T343H335-D339 PolarHBondContact O-N 2.82Å; D339-L341 VanDerWaalsContact C-N 3.35Å; D339-L341 PolarHBondContact O-N 3.19Å; D339-S342 PolarHBondContact O-N 3.19Å; D339-T343 WeakPolarHBondContact O-CG2 3.29Å; D339-T343 PolarHBondContact O-N 3.27Å; D339-T343 PolarHBondContact O-OG1 3.39Å
340K94.6Very high88.9Confident106 Ų106100.9 Ų100.946%0.46151%0.507SS..Hα-helixtrans-55.8-48.5174.3-78.3166.6177.31700111.2Q336 S342 T343 D344Q336-K340 HydrophobicContact CG-CD 4.37Å; Q336-K340 WeakPolarHBondContact O-CB 3.43Å; Q336-K340 WeakPolarHBondContact O-CD 3.42Å; Q336-K340 WeakPolarHBondContact O-CG 3.49Å; Q336-K340 PolarHBondContact O-N 3.07Å; K340-S342 VanDerWaalsContact C-N 3.34Å; K340-S342 PolarHBondContact O-N 2.89Å; K340-T343 PolarHBondContact O-N 2.97Å; K340-T343 PolarHBondContact O-OG1 2.96Å; K340-D344 WeakPolarHBondContact O-CB 3.21Å; K340-D344 PolarHBondContact O-N 3.5Å
341L92.6Very high87.4Confident111 Ų111105.1 Ų105.158%0.58152%0.518SS*.Hα-helixtrans-63.9-36.8178.6-177.262.2000112.5L337 V338 D339 M345L337-L341 VanDerWaalsContact O-CB 3.32Å; L337-L341 WeakPolarHBondContact O-CB 3.45Å; L337-L341 PolarHBondContact O-N 3.31Å; V338-L341 PolarHBondContact O-N 3.19Å; D339-L341 VanDerWaalsContact C-N 3.35Å; D339-L341 PolarHBondContact O-N 3.19Å; L341-M345 VanDerWaalsContact O-CB 3.27Å; L341-M345 WeakPolarHBondContact O-CB 3.4Å; L341-M345 PolarHBondContact O-N 3.08Å
342S90.1Very high85.9Confident58 Ų58108 Ų10841%0.40653%0.533SS..Hα-helixtrans-62.9-51173.8-158.10000110.4V338 D339 K340 D344 M345 E346V338-S342 PolarHBondContact O-N 3.12Å; D339-S342 PolarHBondContact O-N 3.19Å; K340-S342 VanDerWaalsContact C-N 3.34Å; K340-S342 PolarHBondContact O-N 2.89Å; S342-D344 PolarHBondContact O-N 3.43Å; S342-M345 WeakPolarHBondContact O-CB 3.5Å; S342-M345 PolarHBondContact O-N 3.15Å; S342-M345 VanDerWaalsContact O-N 3.12Å; S342-E346 WeakPolarHBondContact O-CB 3.36Å; S342-E346 VanDerWaalsContact O-CG 3.26Å; S342-E346 WeakPolarHBondContact O-CG 3.28Å; S342-E346 PolarHBondContact O-N 2.89Å; S342-E346 PolarHBondContact OG-OE1 2.88Å
343T88.9Confident84.5Confident71 Ų71107.9 Ų107.944%0.43653%0.533SS..Hα-helixtrans-61.8-40.7177.359.70000112.5D339 K340 M345 E346 C347D339-T343 WeakPolarHBondContact O-CG2 3.29Å; D339-T343 PolarHBondContact O-N 3.27Å; D339-T343 PolarHBondContact O-OG1 3.39Å; K340-T343 PolarHBondContact O-N 2.97Å; K340-T343 PolarHBondContact O-OG1 2.96Å; T343-M345 VanDerWaalsContact C-N 3.33Å; T343-M345 PolarHBondContact O-N 3.07Å; T343-E346 PolarHBondContact O-N 2.93Å; T343-C347 WeakPolarHBondContact O-CB 3.38Å; T343-C347 PolarHBondContact O-N 2.9Å; T343-C347 PolarHBondContact O-SG 3.04Å
344D87.4Confident83.3Confident79 Ų79108.9 Ų108.942%0.42254%0.538SS..Hα-helixtrans-62-40174.6-111.537.5000111.7K340 S342 K348K340-D344 WeakPolarHBondContact O-CB 3.21Å; K340-D344 PolarHBondContact O-N 3.5Å; S342-D344 PolarHBondContact O-N 3.43Å; D344-K348 WeakPolarHBondContact O-CB 3.3Å; D344-K348 WeakPolarHBondContact O-CD 3.27Å; D344-K348 WeakPolarHBondContact O-CG 3.47Å; D344-K348 PolarHBondContact O-N 2.82Å; D344-K348 IonicContact OD2-NZ 2.71Å; D344-K348 PolarHBondContact OD2-NZ 2.92Å
345M82.2Confident82.4Confident106 Ų106104.5 Ų104.552%0.52253%0.527SS..Hα-helixtrans-68.1-46176.1-173.168.468.600111L341 S342 T343 C347 K348 L349L341-M345 VanDerWaalsContact O-CB 3.27Å; L341-M345 WeakPolarHBondContact O-CB 3.4Å; L341-M345 PolarHBondContact O-N 3.08Å; S342-M345 WeakPolarHBondContact O-CB 3.5Å; S342-M345 PolarHBondContact O-N 3.15Å; S342-M345 VanDerWaalsContact O-N 3.12Å; T343-M345 VanDerWaalsContact C-N 3.33Å; T343-M345 PolarHBondContact O-N 3.07Å; M345-C347 VanDerWaalsContact C-N 3.31Å; M345-C347 PolarHBondContact O-N 3.46Å; M345-K348 PolarHBondContact O-N 3.2Å; M345-L349 HydrophobicContact CG-CD1 3.91Å; M345-L349 HydrophobicContact CG-CG 4.41Å; M345-L349 VanDerWaalsContact O-CB 3.24Å; M345-L349 WeakPolarHBondContact O-CB 3.32Å; M345-L349 VanDerWaalsContact O-CG 3.23Å; M345-L349 WeakPolarHBondContact O-CG 3.16Å; M345-L349 PolarHBondContact O-N 3.41Å; M345-L349 HydrophobicContact SD-CD1 4.23Å; M345-L349 HydrophobicContact SD-CG 4.33Å
346E81Confident81.6Confident124 Ų124101.9 Ų101.958%0.57952%0.521SS*.Hα-helixtrans-62.8-34.9177.5-71.5163.1-135.300112.3S342 T343S342-E346 WeakPolarHBondContact O-CB 3.36Å; S342-E346 VanDerWaalsContact O-CG 3.26Å; S342-E346 WeakPolarHBondContact O-CG 3.28Å; S342-E346 PolarHBondContact O-N 2.89Å; S342-E346 PolarHBondContact OG-OE1 2.88Å; T343-E346 PolarHBondContact O-N 2.93Å
347C78Confident80.7Confident93 Ų93101.8 Ų101.863%0.62853%0.526SS*.Hα-helixtrans-79.4-38.4174.3-69.60000113.4T343 M345 N350T343-C347 WeakPolarHBondContact O-CB 3.38Å; T343-C347 PolarHBondContact O-N 2.9Å; T343-C347 PolarHBondContact O-SG 3.04Å; M345-C347 VanDerWaalsContact C-N 3.31Å; M345-C347 PolarHBondContact O-N 3.46Å; C347-N350 PolarHBondContact O-OD1 2.84Å
348K78.2Confident80.2Confident150 Ų150102.8 Ų102.865%0.65253%0.527SS*.Hα-helixtrans-75.2-28.4178.4-74.9165.7180157.80112.7D344 M345 N350D344-K348 WeakPolarHBondContact O-CB 3.3Å; D344-K348 WeakPolarHBondContact O-CD 3.27Å; D344-K348 WeakPolarHBondContact O-CG 3.47Å; D344-K348 PolarHBondContact O-N 2.82Å; D344-K348 IonicContact OD2-NZ 2.71Å; D344-K348 PolarHBondContact OD2-NZ 2.92Å; M345-K348 PolarHBondContact O-N 3.2Å; K348-N350 PolarHBondContact O-N 3.17Å
349L68.1Low79.7Confident88 Ų88103.2 Ų103.246%0.46153%0.525SS..SBendtrans-72.975.9163.5-68.5172.7000108.6M345 R351 L354M345-L349 HydrophobicContact CG-CD1 3.91Å; M345-L349 HydrophobicContact CG-CG 4.41Å; M345-L349 VanDerWaalsContact O-CB 3.24Å; M345-L349 WeakPolarHBondContact O-CB 3.32Å; M345-L349 VanDerWaalsContact O-CG 3.23Å; M345-L349 WeakPolarHBondContact O-CG 3.16Å; M345-L349 PolarHBondContact O-N 3.41Å; M345-L349 HydrophobicContact SD-CD1 4.23Å; M345-L349 HydrophobicContact SD-CG 4.33Å; L349-R351 VanDerWaalsContact C-N 3.26Å; L349-R351 PolarHBondContact O-N 2.98Å; L349-L354 HydrophobicContact CD2-CD1 4.27Å
350N65.1Low79.2Confident76 Ų76104.1 Ų104.141%0.40653%0.526SS..  trans-55.990.2170.5-85.5-22.4000109C347 K348 M352 E353 L354C347-N350 PolarHBondContact O-OD1 2.84Å; K348-N350 PolarHBondContact O-N 3.17Å; N350-M352 PolarHBondContact O-N 2.84Å; N350-M352 VanDerWaalsContact O-N 3.13Å; N350-E353 HydrophobicContact CB-CB 3.85Å; N350-E353 HydrophobicContact CB-CG 3.79Å; N350-E353 PolarHBondContact ND2-OE1 3.12Å; N350-E353 WeakPolarHBondContact O-CA 3.43Å; N350-E353 WeakPolarHBondContact O-CB 3.47Å; N350-E353 PolarHBondContact O-N 3.08Å; N350-L354 PolarHBondContact O-N 3.27Å
351R65Low78.9Confident192 Ų192104.8 Ų104.873%0.72553%0.534SS*.Hα-helixtrans-53.9-36.2178.8-72.3-177.270.7124-2.1110.7L349 E353 L354 D355L349-R351 VanDerWaalsContact C-N 3.26Å; L349-R351 PolarHBondContact O-N 2.98Å; R351-E353 PolarHBondContact O-N 3.36Å; R351-L354 PolarHBondContact O-N 3.07Å; R351-D355 VanDerWaalsContact O-CB 3.3Å; R351-D355 WeakPolarHBondContact O-CB 3.38Å; R351-D355 PolarHBondContact O-N 3.14Å
352M63.6Low78.8Confident161 Ų161103.5 Ų103.579%0.79353%0.525SS*.Hα-helixtrans-56.4-41.6171.9-64.8-74.1-74.900113.8N350 S356N350-M352 PolarHBondContact O-N 2.84Å; N350-M352 VanDerWaalsContact O-N 3.13Å; M352-S356 VanDerWaalsContact O-CB 3.26Å; M352-S356 WeakPolarHBondContact O-CB 3.49Å; M352-S356 PolarHBondContact O-N 3.24Å
353E66.4Low78.9Confident120 Ų120105.8 Ų105.856%0.56153%0.529SS*.Hα-helixtrans-75.6-40.3177.6-72.1177.1-157.300111.4N350 R351 S356 V357N350-E353 HydrophobicContact CB-CB 3.85Å; N350-E353 HydrophobicContact CB-CG 3.79Å; N350-E353 PolarHBondContact ND2-OE1 3.12Å; N350-E353 WeakPolarHBondContact O-CA 3.43Å; N350-E353 WeakPolarHBondContact O-CB 3.47Å; N350-E353 PolarHBondContact O-N 3.08Å; R351-E353 PolarHBondContact O-N 3.36Å; E353-S356 PolarHBondContact O-N 3.3Å; E353-V357 WeakPolarHBondContact O-CB 3.3Å; E353-V357 WeakPolarHBondContact O-CG2 3.29Å; E353-V357 PolarHBondContact O-N 3.01Å
354L70.4Confident79Confident102 Ų102111.5 Ų111.553%0.53454%0.543SS..Hα-helixtrans-62.2-42.3173.7-80.3162.6000111.9L349 N350 R351 V357 K358L349-L354 HydrophobicContact CD2-CD1 4.27Å; N350-L354 PolarHBondContact O-N 3.27Å; R351-L354 PolarHBondContact O-N 3.07Å; L354-V357 PolarHBondContact O-N 3Å; L354-K358 WeakPolarHBondContact O-CB 3.22Å; L354-K358 PolarHBondContact O-N 3.49Å
355D77.7Confident79Confident77 Ų77115.3 Ų115.341%0.41255%0.551SS.*Hα-helixtrans-68.7-35.5175.4-76.3-38.5000111.7R351 K358 L359R351-D355 VanDerWaalsContact O-CB 3.3Å; R351-D355 WeakPolarHBondContact O-CB 3.38Å; R351-D355 PolarHBondContact O-N 3.14Å; D355-K358 PolarHBondContact O-N 2.93Å; D355-L359 WeakPolarHBondContact O-CB 3.37Å; D355-L359 WeakPolarHBondContact O-CG 3.26Å; D355-L359 PolarHBondContact O-N 3.38Å
356S79.6Confident79.4Confident57 Ų57116 Ų11640%0.39955%0.548SS..Hα-helixtrans-65.1-46.6172.3-174.40000112.1M352 E353 K358 L359 Q360M352-S356 VanDerWaalsContact O-CB 3.26Å; M352-S356 WeakPolarHBondContact O-CB 3.49Å; M352-S356 PolarHBondContact O-N 3.24Å; E353-S356 PolarHBondContact O-N 3.3Å; S356-K358 VanDerWaalsContact C-N 3.34Å; S356-K358 PolarHBondContact O-N 2.74Å; S356-L359 PolarHBondContact O-N 2.84Å; S356-Q360 WeakPolarHBondContact O-CG 3.37Å; S356-Q360 PolarHBondContact O-N 3.18Å
357V79.9Confident79.7Confident78 Ų78112.5 Ų112.547%0.47354%0.538SS..Hα-helixtrans-64.2-38.8175.3170.30000111.1E353 L354 Q360 L361E353-V357 WeakPolarHBondContact O-CB 3.3Å; E353-V357 WeakPolarHBondContact O-CG2 3.29Å; E353-V357 PolarHBondContact O-N 3.01Å; L354-V357 PolarHBondContact O-N 3Å; V357-Q360 PolarHBondContact O-N 3.44Å; V357-L361 HydrophobicContact CG1-CD1 4.09Å; V357-L361 PolarHBondContact O-N 2.82Å
358K84.6Confident80Confident112 Ų112111.7 Ų111.749%0.48753%0.527SS..Hα-helixtrans-60.5-50173.2177.9-173.2168.5-168.90111.4L354 D355 S356 Q360 L361 E362L354-K358 WeakPolarHBondContact O-CB 3.22Å; L354-K358 PolarHBondContact O-N 3.49Å; D355-K358 PolarHBondContact O-N 2.93Å; S356-K358 VanDerWaalsContact C-N 3.34Å; S356-K358 PolarHBondContact O-N 2.74Å; K358-Q360 VanDerWaalsContact C-N 3.31Å; K358-Q360 PolarHBondContact O-N 3.31Å; K358-L361 WeakPolarHBondContact O-CB 3.19Å; K358-L361 PolarHBondContact O-N 2.78Å; K358-L361 VanDerWaalsContact O-N 3.11Å; K358-E362 WeakPolarHBondContact CE-OE1 3.47Å; K358-E362 WeakPolarHBondContact O-CG 3.27Å; K358-E362 PolarHBondContact O-N 3.09Å
359L85.9Confident80.1Confident103 Ų103108.7 Ų108.754%0.53952%0.517SS..Hα-helixtrans-59.5-40.8175.5-79.2166.9000111.8D355 S356 E362 E363D355-L359 WeakPolarHBondContact O-CB 3.37Å; D355-L359 WeakPolarHBondContact O-CG 3.26Å; D355-L359 PolarHBondContact O-N 3.38Å; S356-L359 PolarHBondContact O-N 2.84Å; L359-E362 PolarHBondContact O-N 2.9Å; L359-E363 WeakPolarHBondContact O-CB 3.26Å; L359-E363 PolarHBondContact O-N 3.28Å
360Q84.9Confident80.8Confident123 Ų123112.2 Ų112.258%0.57553%0.529SS*.Hα-helixtrans-64.2-39.2173.8-73.2-173.412.900112.6S356 V357 K358 R364S356-Q360 WeakPolarHBondContact O-CG 3.37Å; S356-Q360 PolarHBondContact O-N 3.18Å; V357-Q360 PolarHBondContact O-N 3.44Å; K358-Q360 VanDerWaalsContact C-N 3.31Å; K358-Q360 PolarHBondContact O-N 3.31Å; Q360-R364 VanDerWaalsContact O-CB 3.23Å; Q360-R364 WeakPolarHBondContact O-CB 3.38Å; Q360-R364 WeakPolarHBondContact O-CG 3.32Å; Q360-R364 PolarHBondContact O-N 3.24Å
361L86.9Confident81.5Confident119 Ų119114.9 Ų114.962%0.62354%0.537SS*.Hα-helixtrans-64.6-43.7173.6-109.278.2000111.5V357 K358 R364 W365V357-L361 HydrophobicContact CG1-CD1 4.09Å; V357-L361 PolarHBondContact O-N 2.82Å; K358-L361 WeakPolarHBondContact O-CB 3.19Å; K358-L361 PolarHBondContact O-N 2.78Å; K358-L361 VanDerWaalsContact O-N 3.11Å; L361-R364 PolarHBondContact O-N 2.61Å; L361-W365 WeakPolarHBondContact O-CB 3.45Å; L361-W365 PolarHBondContact O-N 2.98Å
362E91.8Very high81.8Confident85 Ų85111 Ų11140%0.39753%0.53SS..Hα-helixtrans-65.1-40.3177.9-72.7175.3-173.200111.8K358 L359 W365 R366K358-E362 WeakPolarHBondContact CE-OE1 3.47Å; K358-E362 WeakPolarHBondContact O-CG 3.27Å; K358-E362 PolarHBondContact O-N 3.09Å; L359-E362 PolarHBondContact O-N 2.9Å; E362-W365 PolarHBondContact O-N 3.36Å; E362-R366 WeakPolarHBondContact O-CB 3.48Å; E362-R366 VanDerWaalsContact O-CG 3.31Å; E362-R366 WeakPolarHBondContact O-CG 3.46Å; E362-R366 PolarHBondContact O-N 2.91Å; E362-R366 PolarHBondContact O-NE 2.88Å
363E92.3Very high82Confident106 Ų106111.3 Ų111.350%0.49553%0.529SS..Hα-helixtrans-66-45173.9-164.966.2-121.400111.6L359 W365 R366 S367L359-E363 WeakPolarHBondContact O-CB 3.26Å; L359-E363 PolarHBondContact O-N 3.28Å; E363-W365 PolarHBondContact O-N 3.34Å; E363-R366 PolarHBondContact O-N 2.93Å; E363-R366 IonicContact OE1-CZ 3.16Å; E363-R366 IonicContact OE1-NH1 2.65Å; E363-R366 PolarHBondContact OE1-NH1 3.04Å; E363-R366 IonicContact OE2-CZ 2.8Å; E363-R366 IonicContact OE2-NH1 2.86Å; E363-R366 PolarHBondContact OE2-NH1 3.11Å; E363-R366 IonicContact OE2-NH2 3.76Å; E363-R366 PolarHBondContact OE2-NH2 3.48Å; E363-S367 WeakPolarHBondContact O-CB 3.49Å; E363-S367 PolarHBondContact O-N 3.5Å
364R90.4Very high81.8Confident191 Ų191109.5 Ų109.572%0.72154%0.535SS*.Hα-helixtrans-61.5-42.6174.2-75.7-103.4176.9144.1-1.6111.4Q360 L361 S367 I368Q360-R364 VanDerWaalsContact O-CB 3.23Å; Q360-R364 WeakPolarHBondContact O-CB 3.38Å; Q360-R364 WeakPolarHBondContact O-CG 3.32Å; Q360-R364 PolarHBondContact O-N 3.24Å; L361-R364 PolarHBondContact O-N 2.61Å; R364-S367 WeakPolarHBondContact O-CB 3.46Å; R364-S367 PolarHBondContact O-N 3.44Å; R364-I368 WeakPolarHBondContact O-CB 3.48Å; R364-I368 VanDerWaalsContact O-CG1 3.25Å; R364-I368 WeakPolarHBondContact O-CG1 3.5Å; R364-I368 PolarHBondContact O-N 3.12Å
365W87.3Confident81.4Confident158 Ų158112 Ų11260%0.59854%0.544SS*.Hα-helixtrans-67.7-43.3178.7-172.5-113000111.6L361 E362 E363 S367 I368 L369L361-W365 WeakPolarHBondContact O-CB 3.45Å; L361-W365 PolarHBondContact O-N 2.98Å; E362-W365 PolarHBondContact O-N 3.36Å; E363-W365 PolarHBondContact O-N 3.34Å; W365-S367 VanDerWaalsContact C-N 3.3Å; W365-S367 PolarHBondContact O-N 3.3Å; W365-I368 PolarHBondContact O-N 2.83Å; W365-L369 HydrophobicContact CG-CD1 4.41Å; W365-L369 WeakPolarHBondContact O-CB 3.37Å; W365-L369 PolarHBondContact O-N 2.86Å
366R90.3Very high79.7Confident120 Ų120113.2 Ų113.245%0.45356%0.558SS.*Hα-helixtrans-58.2-40.6170.1-77.6-176.7-80.2112.8-3.5111.8E362 E363 K370E362-R366 WeakPolarHBondContact O-CB 3.48Å; E362-R366 VanDerWaalsContact O-CG 3.31Å; E362-R366 WeakPolarHBondContact O-CG 3.46Å; E362-R366 PolarHBondContact O-N 2.91Å; E362-R366 PolarHBondContact O-NE 2.88Å; E363-R366 PolarHBondContact O-N 2.93Å; E363-R366 IonicContact OE1-CZ 3.16Å; E363-R366 IonicContact OE1-NH1 2.65Å; E363-R366 PolarHBondContact OE1-NH1 3.04Å; E363-R366 IonicContact OE2-CZ 2.8Å; E363-R366 IonicContact OE2-NH1 2.86Å; E363-R366 PolarHBondContact OE2-NH1 3.11Å; E363-R366 IonicContact OE2-NH2 3.76Å; E363-R366 PolarHBondContact OE2-NH2 3.48Å; R366-K370 WeakPolarHBondContact O-CB 3.41Å; R366-K370 PolarHBondContact O-N 3.31Å
367S87.6Confident77.7Confident52 Ų52114.9 Ų114.936%0.36458%0.576SS.*Hα-helixtrans-67.3-40.6174.7-169.10000113.1E363 R364 W365 K370 K371E363-S367 WeakPolarHBondContact O-CB 3.49Å; E363-S367 PolarHBondContact O-N 3.5Å; R364-S367 WeakPolarHBondContact O-CB 3.46Å; R364-S367 PolarHBondContact O-N 3.44Å; W365-S367 VanDerWaalsContact C-N 3.3Å; W365-S367 PolarHBondContact O-N 3.3Å; S367-K370 PolarHBondContact O-N 2.93Å; S367-K371 WeakPolarHBondContact O-CB 3.2Å; S367-K371 WeakPolarHBondContact O-CG 3.36Å; S367-K371 PolarHBondContact O-N 3.41Å
368I84.8Confident76.2Confident76 Ų76117.1 Ų117.139%0.3959%0.592SS.*Hα-helixtrans-66.8-47177.3-72.3163.5000110.3R364 W365 K370 K371 L372R364-I368 WeakPolarHBondContact O-CB 3.48Å; R364-I368 VanDerWaalsContact O-CG1 3.25Å; R364-I368 WeakPolarHBondContact O-CG1 3.5Å; R364-I368 PolarHBondContact O-N 3.12Å; W365-I368 PolarHBondContact O-N 2.83Å; I368-K370 VanDerWaalsContact C-N 3.32Å; I368-K370 PolarHBondContact O-N 3.09Å; I368-K371 PolarHBondContact O-N 3.08Å; I368-K371 VanDerWaalsContact O-N 3.09Å; I368-L372 HydrophobicContact CG2-CD1 3.66Å; I368-L372 HydrophobicContact CG2-CG 4.13Å; I368-L372 WeakPolarHBondContact O-CB 3.48Å; I368-L372 WeakPolarHBondContact O-CG 3.44Å; I368-L372 PolarHBondContact O-N 3.42Å
369L79.3Confident74.7Confident87 Ų87119.7 Ų119.746%0.45561%0.61SS.*Hα-helixtrans-53.7-49172.2-84.9163.8000111.1W365 K371 L372 Q373W365-L369 HydrophobicContact CG-CD1 4.41Å; W365-L369 WeakPolarHBondContact O-CB 3.37Å; W365-L369 PolarHBondContact O-N 2.86Å; L369-K371 VanDerWaalsContact C-N 3.29Å; L369-K371 PolarHBondContact O-N 2.88Å; L369-L372 PolarHBondContact O-N 3.03Å; L369-Q373 WeakPolarHBondContact O-CB 3.39Å; L369-Q373 PolarHBondContact O-N 3.35Å
370K83.3Confident72.8Confident161 Ų161124.1 Ų124.170%0.763%0.628SS**Hα-helixtrans-63.4-30.9178.1-166.8171.6-175.6175.70113.3R366 S367 I368 A374R366-K370 WeakPolarHBondContact O-CB 3.41Å; R366-K370 PolarHBondContact O-N 3.31Å; S367-K370 PolarHBondContact O-N 2.93Å; I368-K370 VanDerWaalsContact C-N 3.32Å; I368-K370 PolarHBondContact O-N 3.09Å; K370-A374 WeakPolarHBondContact O-CB 3.47Å; K370-A374 PolarHBondContact O-N 2.92Å
371K79Confident71Confident133 Ų133125 Ų12558%0.57864%0.637SS**Hα-helixtrans-78.3-42.3175.3-75.7177.8-178.6-175.80112.8S367 I368 L369 Q373 A374 Q375S367-K371 WeakPolarHBondContact O-CB 3.2Å; S367-K371 WeakPolarHBondContact O-CG 3.36Å; S367-K371 PolarHBondContact O-N 3.41Å; I368-K371 PolarHBondContact O-N 3.08Å; I368-K371 VanDerWaalsContact O-N 3.09Å; L369-K371 VanDerWaalsContact C-N 3.29Å; L369-K371 PolarHBondContact O-N 2.88Å; K371-Q373 VanDerWaalsContact C-N 3.35Å; K371-A374 CarbonylContact O-C 3.5Å; K371-A374 WeakPolarHBondContact O-CA 3.33Å; K371-A374 PolarHBondContact O-N 3.1Å; K371-Q375 WeakPolarHBondContact O-CB 3.32Å; K371-Q375 PolarHBondContact O-N 2.93Å
372L71.6Confident69.3Low110 Ų110127.2 Ų127.258%0.57665%0.649SS**Hα-helixtrans-66.3-38.2175.7-69173.6000111.3I368 L369 A374 Q375 S376I368-L372 HydrophobicContact CG2-CD1 3.66Å; I368-L372 HydrophobicContact CG2-CG 4.13Å; I368-L372 WeakPolarHBondContact O-CB 3.48Å; I368-L372 WeakPolarHBondContact O-CG 3.44Å; I368-L372 PolarHBondContact O-N 3.42Å; L369-L372 PolarHBondContact O-N 3.03Å; L372-A374 PolarHBondContact O-N 3.36Å; L372-Q375 CarbonylContact O-C 3.57Å; L372-Q375 PolarHBondContact O-N 3.28Å; L372-S376 PolarHBondContact O-N 3.15Å
373Q69.3Low67.3Low167 Ų167127.4 Ų127.478%0.7867%0.665SS**THydrogen-bonded Turntrans-65.5-17.4171.5-168172.719.500113L369 K371L369-Q373 WeakPolarHBondContact O-CB 3.39Å; L369-Q373 PolarHBondContact O-N 3.35Å; K371-Q373 VanDerWaalsContact C-N 3.35Å
374A62.1Low65.4Low82 Ų82127.7 Ų127.768%0.67869%0.686SS**THydrogen-bonded Turntrans-104.8-3.6174.700000114.1K370 K371 L372K370-A374 WeakPolarHBondContact O-CB 3.47Å; K370-A374 PolarHBondContact O-N 2.92Å; K371-A374 CarbonylContact O-C 3.5Å; K371-A374 WeakPolarHBondContact O-CA 3.33Å; K371-A374 PolarHBondContact O-N 3.1Å; L372-A374 PolarHBondContact O-N 3.36Å
375Q60.5Low63.4Low155 Ų155122.2 Ų122.272%0.72469%0.689SS**  trans-130.640.6-177.9-69.3-168.3-9.400112.1K371 L372 A377K371-Q375 WeakPolarHBondContact O-CB 3.32Å; K371-Q375 PolarHBondContact O-N 2.93Å; L372-Q375 CarbonylContact O-C 3.57Å; L372-Q375 PolarHBondContact O-N 3.28Å; Q375-A377 PolarHBondContact O-N 2.99Å
376S43.5Very low61.3Low102 Ų102121.3 Ų121.371%0.71369%0.694SS**  trans-72.4107.9170.756.20000111.2L372L372-S376 PolarHBondContact O-N 3.15Å
377A36.8Very low59.3Low93 Ų93127.4 Ų127.477%0.76972%0.717SS**  trans80.5155.1165.300000118.1Q375Q375-A377 PolarHBondContact O-N 2.99Å
378P48.8Very low57.5Low125 Ų125132.1 Ų132.181%0.81273%0.731SS**  cis-121.6173.66.230-9.2000116.9
379L53.1Low55.8Low165 Ų165135.1 Ų135.186%0.86474%0.741SS**  trans-56140.5177.2-78.167.6000113.8
380E44.6Very low54.4Low196 Ų196138.8 Ų138.892%0.91676%0.761SS**  -163.1154106.8-106.7177.8-168.200111.8
381D48.8Very low52.8Low143 Ų143133.8 Ų133.877%0.76574%0.741SS**  trans-121.684.9-164175.836.8000110.5
382D49.3Very low51.9Low164 Ų164133.9 Ų133.988%0.87774%0.744SS**  trans-147.294.1175.5-140.8-4000113.9
383A51Low51.3Low90 Ų90137.3 Ų137.374%0.74475%0.749SS**  trans-136109.7169.200000110.1G385A383-G385 PolarHBondContact O-N 3.42Å
384A52.3Low50.9Low112 Ų112134.4 Ų134.493%0.92673%0.734SS**THydrogen-bonded Turntrans-67.7119-178.600000111.6
385G48.6Very low51.5Low76 Ų76135.8 Ų135.878%0.78473%0.726SS**THydrogen-bonded Turntrans171.3-19.4178.100000116.6A383A383-G385 PolarHBondContact O-N 3.42Å
386I43.3Very low51.9Low138 Ų138130.2 Ų130.271%0.70870%0.704SS**  trans-85.1126.7174.8-60.1178.5000109.3K388I386-K388 HydrophobicContact CG2-CG 4.05Å; I386-K388 PolarHBondContact O-N 3.35Å
387R47.6Very low53.3Low248 Ų248133.5 Ų133.594%0.93671%0.713SS**  trans-67.264163.9-67.1-177.2179.7-1740110.3K389R387-K389 VanDerWaalsContact C-N 3.32Å; R387-K389 PolarHBondContact O-N 3.17Å
388K50.4Low54.6Low151 Ų151134.6 Ų134.666%0.65771%0.714SS**  trans-59102.6159.3-75.2175.6179.6166.90104.4I386 L390I386-K388 HydrophobicContact CG2-CG 4.05Å; I386-K388 PolarHBondContact O-N 3.35Å; K388-L390 PolarHBondContact O-N 3.04Å; K388-L390 VanDerWaalsContact O-N 3.09Å
389K48.3Very low55.9Low139 Ų139132.7 Ų132.760%0.60470%0.703SS**  trans-45.4123.4156.6-76.7178.8170.5176.90104.8R387 L391 Q406R387-K389 VanDerWaalsContact C-N 3.32Å; R387-K389 PolarHBondContact O-N 3.17Å; K389-L391 WeakPolarHBondContact O-CD1 3.33Å; K389-L391 WeakPolarHBondContact O-CG 3.36Å; K389-L391 PolarHBondContact O-N 3.02Å; K389-Q406 HydrophobicContact CD-CG 4.31Å
390L49.4Very low56.7Low165 Ų165130.3 Ų130.386%0.86469%0.691SS**  trans-62.887.4-177.6-80.3160.1000108.4K388 E392K388-L390 PolarHBondContact O-N 3.04Å; K388-L390 VanDerWaalsContact O-N 3.09Å; L390-E392 PolarHBondContact O-N 3.21Å
391L51.1Low57.9Low56 Ų56130.4 Ų130.429%0.29368%0.683SS.*  trans-80.279.5173-74.6140.9000105K389 R393 M404 Q406K389-L391 WeakPolarHBondContact O-CD1 3.33Å; K389-L391 WeakPolarHBondContact O-CG 3.36Å; K389-L391 PolarHBondContact O-N 3.02Å; L391-R393 PolarHBondContact O-N 3.02Å; L391-M404 HydrophobicContact CB-CB 4.13Å; L391-M404 HydrophobicContact CB-CE 3.42Å; L391-M404 VanDerWaalsContact CB-CE 3.42Å; L391-M404 HydrophobicContact CB-SD 3.91Å; L391-M404 HydrophobicContact CD1-CE 4.16Å; L391-M404 HydrophobicContact CD2-CB 3.88Å; L391-M404 HydrophobicContact CG-CE 4.3Å; L391-M404 VanDerWaalsContact O-SD 3.39Å; L391-Q406 HydrophobicContact CD2-CG 3.62Å; L391-Q406 HydrophobicContact CG-CG 4.33Å
392E58.6Low58.9Low134 Ų134127.1 Ų127.163%0.62667%0.668SS**  trans-61.6131.5179.7-164.6158.5-135.600108.8L390 F394L390-E392 PolarHBondContact O-N 3.21Å; E392-F394 HydrophobicContact CB-CE2 3.72Å; E392-F394 HydrophobicContact CB-CZ 3.85Å; E392-F394 HydrophobicContact CG-CE1 4.37Å; E392-F394 HydrophobicContact CG-CE2 4.15Å; E392-F394 HydrophobicContact CG-CZ 3.8Å; E392-F394 WeakPolarHBondContact O-CD2 3.41Å; E392-F394 WeakPolarHBondContact O-CE2 3.37Å; E392-F394 PolarHBondContact O-N 3.44Å
393R60.1Low59.8Low182 Ų182123.2 Ų123.269%0.68765%0.646SS**EExtended strand (participates in β ladder)trans-86.590.5-165.7-80.7179.4-177.1172.93.1110.5L391 V402 M404L391-R393 PolarHBondContact O-N 3.02Å; R393-V402 HydrophobicContact CB-CG1 3.59Å; R393-V402 HydrophobicContact CG-CG1 3.79Å; R393-M404 HydrophobicContact CG-SD 3.49Å; R393-M404 WeakPolarHBondContact CG-SD 3.43Å
394F61.1Low60.3Low106 Ų106123.3 Ų123.347%0.46563%0.633SS.*EExtended strand (participates in β ladder)trans-86.9130.5176.2-59.5-74.7000110.4E392 I403E392-F394 HydrophobicContact CB-CE2 3.72Å; E392-F394 HydrophobicContact CB-CZ 3.85Å; E392-F394 HydrophobicContact CG-CE1 4.37Å; E392-F394 HydrophobicContact CG-CE2 4.15Å; E392-F394 HydrophobicContact CG-CZ 3.8Å; E392-F394 WeakPolarHBondContact O-CD2 3.41Å; E392-F394 WeakPolarHBondContact O-CE2 3.37Å; E392-F394 PolarHBondContact O-N 3.44Å; F394-I403 PolarHBondContact N-O 2.93Å; F394-I403 PolarHBondContact O-N 3.06Å
395H73.9Confident60.6Low111 Ų111125 Ų12551%0.51462%0.619SS.*EExtended strand (participates in β ladder)trans-85133.9175.1-64.665.1000109L397 D400H395-L397 PolarHBondContact O-N 3Å; H395-L397 VanDerWaalsContact O-N 3.15Å; H395-D400 PolarHBondContact CD2-O 3.49Å
396C69.2Low61Low38 Ų38126.8 Ų126.826%0.25761%0.607SS.*  trans-71.4106.5178.4-176.20000109.7S398 C399 D400 R401 I403C396-S398 PolarHBondContact O-N 2.89Å; C396-C399 PolarHBondContact O-N 3.23Å; C396-D400 WeakPolarHBondContact O-CA 3.17Å; C396-D400 PolarHBondContact O-N 3.08Å; C396-R401 VanDerWaalsContact CB-O 3.3Å; C396-R401 WeakPolarHBondContact CB-O 3.27Å; C396-R401 PolarHBondContact N-O 3.39Å; C396-I403 HydrophobicContact CB-CD1 3.86Å; C396-I403 HydrophobicContact CB-CG1 4.39Å
397L72.1Confident61.5Low172 Ų172126 Ų12690%0.90161%0.609SS**THydrogen-bonded Turntrans-52.8-11.5-176.8-71.7161.5000115.9H395H395-L397 PolarHBondContact O-N 3Å; H395-L397 VanDerWaalsContact O-N 3.15Å
398S65.8Low61.8Low115 Ų115120.3 Ų120.380%0.80460%0.604SS**THydrogen-bonded Turntrans-102.2-10.1178.3-49.10000114.7C396C396-S398 PolarHBondContact O-N 2.89Å
399C75.6Confident62Low85 Ų85115.6 Ų115.657%0.57460%0.598SS**THydrogen-bonded Turntrans-157.111.2-179.562.70000115.1C396 R401C396-C399 PolarHBondContact O-N 3.23Å; C399-R401 PolarHBondContact O-N 3.43Å
400D69.9Low62.1Low116 Ų116115.2 Ų115.262%0.6261%0.61SS**  trans46.210.4-175.5-78.6-29.6000117.7H395 C396 V402H395-D400 PolarHBondContact CD2-O 3.49Å; C396-D400 WeakPolarHBondContact O-CA 3.17Å; C396-D400 PolarHBondContact O-N 3.08Å; D400-V402 PolarHBondContact O-N 3.37Å
401R70.2Confident62.3Low198 Ų198114.4 Ų114.475%0.74761%0.605SS**  trans-65130171.4-85.6-173.6168.1-164.6-3110.9C396 C399 I403C396-R401 VanDerWaalsContact CB-O 3.3Å; C396-R401 WeakPolarHBondContact CB-O 3.27Å; C396-R401 PolarHBondContact N-O 3.39Å; C399-R401 PolarHBondContact O-N 3.43Å; R401-I403 PolarHBondContact O-N 3.28Å
402V69.5Low62.3Low74 Ų74117.5 Ų117.545%0.44863%0.626SS.*EExtended strand (participates in β ladder)trans-70.4123.8177.3-161.10000110.3R393 D400R393-V402 HydrophobicContact CB-CG1 3.59Å; R393-V402 HydrophobicContact CG-CG1 3.79Å; D400-V402 PolarHBondContact O-N 3.37Å
403I67.3Low61.9Low81 Ų81118.4 Ų118.442%0.41563%0.634SS.*EExtended strand (participates in β ladder)trans-117137.2177.7-56.4178.7000109.1F394 C396 R401F394-I403 PolarHBondContact N-O 2.93Å; F394-I403 PolarHBondContact O-N 3.06Å; C396-I403 HydrophobicContact CB-CD1 3.86Å; C396-I403 HydrophobicContact CB-CG1 4.39Å; R401-I403 PolarHBondContact O-N 3.28Å
404M61.9Low61.5Low93 Ų93116 Ų11646%0.45864%0.64SS.*EExtended strand (participates in β ladder)trans-105.4111.5-176.1-63.4-83.7-82.500108.8L391 R393L391-M404 HydrophobicContact CB-CB 4.13Å; L391-M404 HydrophobicContact CB-CE 3.42Å; L391-M404 VanDerWaalsContact CB-CE 3.42Å; L391-M404 HydrophobicContact CB-SD 3.91Å; L391-M404 HydrophobicContact CD1-CE 4.16Å; L391-M404 HydrophobicContact CD2-CB 3.88Å; L391-M404 HydrophobicContact CG-CE 4.3Å; L391-M404 VanDerWaalsContact O-SD 3.39Å; R393-M404 HydrophobicContact CG-SD 3.49Å; R393-M404 WeakPolarHBondContact CG-SD 3.43Å
405K58.9Low60.9Low147 Ų147118.2 Ų118.264%0.63966%0.656SS**  trans-113.2151.6178.2-80.7-167.3174.8-176.70112.5
406Q57.5Low59.6Low114 Ų114117.9 Ų117.953%0.53366%0.663SS.*  trans-105.9120.5174-59.9-179.431.900109.4K389 L391K389-Q406 HydrophobicContact CD-CG 4.31Å; L391-Q406 HydrophobicContact CD2-CG 3.62Å; L391-Q406 HydrophobicContact CG-CG 4.33Å
407T53.5Low58.8Low122 Ų122122.8 Ų122.875%0.74869%0.692SS**  trans-84.8125.9177-47.50000110.2G409T407-G409 PolarHBondContact O-N 3.37Å; T407-G409 VanDerWaalsContact O-N 3.12Å
408P53.6Low57.8Low127 Ų127123 Ų12383%0.82569%0.686SS**  trans-76.898.4179.6-11.928.3000111.8
409G55.1Low57.9Low52 Ų52122.7 Ų122.754%0.53668%0.681SS.*  trans-75.9159.3161.400000111.6T407 I411T407-G409 PolarHBondContact O-N 3.37Å; T407-G409 VanDerWaalsContact O-N 3.12Å; G409-I411 PolarHBondContact O-N 2.89Å
410P50.5Low56.9Low131 Ų131124.5 Ų124.585%0.85169%0.692SS**  trans-61.4128.9-176.424.3-33.5000112.1V412P410-V412 PolarHBondContact O-N 3.44Å
411I51.9Low56Low148 Ų148128.4 Ų128.476%0.75970%0.704SS**  trans-79108.1-178.4-59.3171.3000108.9G409 L413G409-I411 PolarHBondContact O-N 2.89Å; I411-L413 HydrophobicContact CG2-CD2 4Å; I411-L413 HydrophobicContact CG2-CG 4.33Å; I411-L413 PolarHBondContact O-N 3.32Å
412V51.7Low55.5Low122 Ų122124.3 Ų124.374%0.73970%0.703SS**  trans-78.6102.5170.9-177.70000108.7P410 T414P410-V412 PolarHBondContact O-N 3.44Å; V412-T414 PolarHBondContact O-N 2.95Å; V412-T414 PolarHBondContact O-OG1 3.31Å
413L50.1Low54.9Low152 Ų152126.2 Ų126.280%0.79672%0.717SS**  trans-75.5111.6175.7-66.5171000110I411I411-L413 HydrophobicContact CG2-CD2 4Å; I411-L413 HydrophobicContact CG2-CG 4.33Å; I411-L413 PolarHBondContact O-N 3.32Å
414T53.3Low54Low131 Ų131127.6 Ų127.680%0.80473%0.732SS**  trans-97.621.2-171.8-11.40000114.9V412V412-T414 PolarHBondContact O-N 2.95Å; V412-T414 PolarHBondContact O-OG1 3.31Å
415L47.2Very low53.8Low154 Ų154133.6 Ų133.681%0.80676%0.755SS**SBendtrans-123132.2-178.8-74169.1000111.3
416P46Very low53.3Low103 Ų103131.1 Ų131.167%0.66976%0.756SS**PPolyproline II helixtrans-76.3136.3179.630.8-34.1000111.9
417T52.4Low52.8Low141 Ų141130.4 Ų130.487%0.86577%0.77SS**PPolyproline II helixtrans-82.9121.5179.1-45.10000111.1
418F52.7Low53.1Low177 Ų177136 Ų13678%0.77678%0.777SS**PPolyproline II helixtrans-81.8147.5171.1-69.5-84.9000111.5
419P66.3Low53Low108 Ų108135.5 Ų135.570%0.70177%0.774SS**PPolyproline II helixtrans-68.5145.8173.128.6-33000111.1
420P55.6Low53.1Low124 Ų124141.4 Ų141.481%0.80578%0.78SS**PPolyproline II helixtrans-69.3141.8-17928.3-34.4000112
421F50.7Low53.8Low197 Ų197139.1 Ų139.186%0.86476%0.764SS**PPolyproline II helixtrans-63.2148.6173.6-75.7-85.2000111.7
422P59.7Low54.1Low112 Ų112138.4 Ų138.473%0.72776%0.759SS**PPolyproline II helixtrans-63.414217626.9-34.4000111.2
423P56.6Low54.7Low115 Ų115137.3 Ų137.375%0.74775%0.746SS**PPolyproline II helixtrans-68.4144.6-173.126.7-34.7000112.6
424P49.7Very low55.7Low110 Ų110134.5 Ų134.571%0.71473%0.729SS**PPolyproline II helixtrans-68.7139.5-179.628.4-34.5000111.9S426P424-S426 PolarHBondContact O-N 2.95Å; P424-S426 VanDerWaalsContact O-N 3.11Å
425K57.3Low56.2Low219 Ų219132 Ų13295%0.95271%0.709SS**  trans-8376.2175-66.3178.3-178.4174.30110.9
426S48.4Very low57.2Low95 Ų95132 Ų13266%0.66470%0.699SS**  trans-141.7138.1171.855.50000111.9P424P424-S426 PolarHBondContact O-N 2.95Å; P424-S426 VanDerWaalsContact O-N 3.11Å
427A46.4Very low58.2Low99 Ų99132.3 Ų132.382%0.81869%0.691SS**  trans57.780178.300000115.9
428R59.5Low58.8Low238 Ų238130.6 Ų130.690%0.89867%0.673SS**PPolyproline II helixtrans-72.6134.5146.5-75-173.6178.7-120.50.5107.9W430R428-W430 PolarHBondContact O-N 3.48Å
429P51.6Low58.9Low118 Ų118130.1 Ų130.177%0.76667%0.668SS**PPolyproline II helixtrans-57.3134.2161.8-20.932.9000109.2T431P429-T431 PolarHBondContact O-N 3.35Å
430W56.9Low58.4Low176 Ų176131.8 Ų131.867%0.66767%0.666SS**PPolyproline II helixtrans-56.8134.4176.1-64.789.3000110.1R428 Q434 I435R428-W430 PolarHBondContact O-N 3.48Å; W430-Q434 HydrophobicContact CE3-CB 3.92Å; W430-I435 HydrophobicContact CB-CD1 4.08Å; W430-I435 HydrophobicContact CB-CG1 3.89Å
431T65.8Low58.5Low83 Ų83130.1 Ų130.151%0.50966%0.657SS.*PPolyproline II helixtrans-72.5145.2169.858.20000109.1P429 E433 Q434 I435P429-T431 PolarHBondContact O-N 3.35Å; T431-E433 PolarHBondContact O-N 2.93Å; T431-Q434 WeakPolarHBondContact O-CB 3.18Å; T431-Q434 PolarHBondContact O-N 3.11Å; T431-Q434 WeakPolarHBondContact OG1-CG 3.26Å; T431-Q434 PolarHBondContact OG1-OE1 2.98Å; T431-I435 PolarHBondContact O-N 2.9Å
432M58Low58.7Low132 Ų132126.6 Ų126.665%0.6565%0.646SS**Hα-helixtrans-54.8-25.7-178.7-72.7-60.5-62.800113.5I435 R436M432-I435 HydrophobicContact SD-CD1 4.03Å; M432-R436 WeakPolarHBondContact O-CG 3.23Å; M432-R436 PolarHBondContact O-N 3.44Å
433E65.6Low58.3Low100 Ų100124.2 Ų124.247%0.46763%0.63SS.*Hα-helixtrans-70.9-37.6175.8-171.351.8-147.200112.7T431 R436 Q437T431-E433 PolarHBondContact O-N 2.93Å; E433-R436 PolarHBondContact O-N 2.97Å; E433-Q437 VanDerWaalsContact O-CG 3.32Å; E433-Q437 WeakPolarHBondContact O-CG 3.24Å; E433-Q437 PolarHBondContact O-N 2.91Å; E433-Q437 PolarHBondContact OE1-NE2 3.22Å
434Q69.3Low58.1Low92 Ų92122.1 Ų122.143%0.4362%0.616SS.*Hα-helixtrans-68-36.8173.7-67.6173.4-36.800111.6W430 T431 Q437 H438W430-Q434 HydrophobicContact CE3-CB 3.92Å; T431-Q434 WeakPolarHBondContact O-CB 3.18Å; T431-Q434 PolarHBondContact O-N 3.11Å; T431-Q434 WeakPolarHBondContact OG1-CG 3.26Å; T431-Q434 PolarHBondContact OG1-OE1 2.98Å; Q434-Q437 PolarHBondContact O-N 3.45Å; Q434-H438 WeakPolarHBondContact O-CB 3.26Å; Q434-H438 PolarHBondContact O-N 3.37Å
435I65.5Low58.5Low78 Ų78118.1 Ų118.140%0.460%0.595SS.*Hα-helixtrans-63.3-43.9174.5-61.2174.7000110.4W430 T431 M432 H438 Y439W430-I435 HydrophobicContact CB-CD1 4.08Å; W430-I435 HydrophobicContact CB-CG1 3.89Å; T431-I435 PolarHBondContact O-N 2.9Å; M432-I435 HydrophobicContact SD-CD1 4.03Å; I435-H438 PolarHBondContact O-N 2.85Å; I435-Y439 PolarHBondContact O-N 2.92Å
436R67.6Low58.5Low154 Ų154113.1 Ų113.158%0.58159%0.585SS**Hα-helixtrans-59.5-47.1174.7-76.4174.2172.9-162.1-3.8112.1M432 E433 H438 Y439 H440M432-R436 WeakPolarHBondContact O-CG 3.23Å; M432-R436 PolarHBondContact O-N 3.44Å; E433-R436 PolarHBondContact O-N 2.97Å; R436-H438 VanDerWaalsContact C-N 3.32Å; R436-H438 PolarHBondContact O-N 3.17Å; R436-Y439 PolarHBondContact O-N 3.11Å; R436-Y439 VanDerWaalsContact O-N 3.17Å; R436-H440 PolarHBondContact O-CD2 2.84Å; R436-H440 PolarHBondContact O-N 3.43Å
437Q66.9Low58.9Low110 Ų110112.8 Ų112.851%0.51458%0.583SS.*Hα-helixtrans-63.2-37.7179.4-70171.616.200112.2E433 Q434 H440 S441E433-Q437 VanDerWaalsContact O-CG 3.32Å; E433-Q437 WeakPolarHBondContact O-CG 3.24Å; E433-Q437 PolarHBondContact O-N 2.91Å; E433-Q437 PolarHBondContact OE1-NE2 3.22Å; Q434-Q437 PolarHBondContact O-N 3.45Å; Q437-H440 PolarHBondContact O-N 2.66Å; Q437-S441 PolarHBondContact O-N 3.39Å; Q437-S441 VanDerWaalsContact O-N 3.12Å
438H65.7Low59.5Low105 Ų105114.1 Ų114.149%0.48657%0.572SS.*Hα-helixtrans-69-31.3174.9-152.8-69.7000113.1Q434 I435 R436 S441 L442Q434-H438 WeakPolarHBondContact O-CB 3.26Å; Q434-H438 PolarHBondContact O-N 3.37Å; I435-H438 PolarHBondContact O-N 2.85Å; R436-H438 VanDerWaalsContact C-N 3.32Å; R436-H438 PolarHBondContact O-N 3.17Å; H438-S441 PolarHBondContact O-OG 2.84Å; H438-L442 WeakPolarHBondContact O-CG 3.5Å; H438-L442 PolarHBondContact O-N 3.3Å
439Y54Low59.5Low168 Ų168110.3 Ų110.366%0.65956%0.558SS**Hα-helixtrans-71.6-34.7174.1-136.1-91.9000112.2I435 R436 T443I435-Y439 PolarHBondContact O-N 2.92Å; R436-Y439 PolarHBondContact O-N 3.11Å; R436-Y439 VanDerWaalsContact O-N 3.17Å; Y439-T443 PolarHBondContact O-N 3.45Å; Y439-T443 PolarHBondContact O-OG1 2.88Å
440H55.4Low60Low143 Ų143113.3 Ų113.366%0.66255%0.554SS**Hα-helixtrans-71.8-24.9174.5-72.1-54.7000113.7R436 Q437R436-H440 PolarHBondContact O-CD2 2.84Å; R436-H440 PolarHBondContact O-N 3.43Å; Q437-H440 PolarHBondContact O-N 2.66Å
441S58.5Low60.6Low88 Ų88109.4 Ų109.462%0.61555%0.549SS*.Hα-helixtrans-79.1-27.6174.766.90000113.5Q437 H438Q437-S441 PolarHBondContact O-N 3.39Å; Q437-S441 VanDerWaalsContact O-N 3.12Å; H438-S441 PolarHBondContact O-OG 2.84Å
442L55.3Low61Low123 Ų123111 Ų11164%0.64455%0.551SS**SBendtrans-88.5-6.5-179-68.5171.6000114.3H438H438-L442 WeakPolarHBondContact O-CG 3.5Å; H438-L442 PolarHBondContact O-N 3.3Å
443T50.5Low61.7Low62 Ų62110.6 Ų110.638%0.3855%0.551SS.*SBendtrans-123.3115.8-177.252.10000112.2Y439 G445Y439-T443 PolarHBondContact O-N 3.45Å; Y439-T443 PolarHBondContact O-OG1 2.88Å; T443-G445 PolarHBondContact O-N 3.32Å; T443-G445 VanDerWaalsContact O-N 3.11Å
444P52.1Low62.2Low71 Ų71112 Ų11246%0.46156%0.557SS.*  trans-62.4117.6173-21.932.6000109.9R449P444-R449 HydrophobicContact CB-CG 4.45Å; P444-R449 PolarHBondContact O-NE 2.66Å
445G57.4Low62.7Low27 Ų27113.8 Ų113.828%0.27856%0.564SS.*  trans-59.9156.7-175.100000112.9T443 S447 Q448 R449T443-G445 PolarHBondContact O-N 3.32Å; T443-G445 VanDerWaalsContact O-N 3.11Å; G445-S447 PolarHBondContact O-N 3.18Å; G445-S447 VanDerWaalsContact O-N 3.09Å; G445-Q448 PolarHBondContact O-N 3.42Å; G445-R449 PolarHBondContact O-N 3.23Å
446P57.2Low63.4Low114 Ų114114.1 Ų114.174%0.7457%0.566SS**Hα-helixtrans-60.3-25.1-17623.2-33.4000113.6R450P446-R450 WeakPolarHBondContact O-CB 3.48Å; P446-R450 PolarHBondContact O-N 2.82Å
447S56.8Low64Low88 Ų88111.8 Ų111.862%0.61556%0.562SS**Hα-helixtrans-65.4-49.5170.848.80000112.4G445 R450 V451G445-S447 PolarHBondContact O-N 3.18Å; G445-S447 VanDerWaalsContact O-N 3.09Å; S447-R450 PolarHBondContact O-N 3.3Å; S447-V451 WeakPolarHBondContact O-CG2 3.38Å; S447-V451 PolarHBondContact O-N 2.85Å; S447-V451 VanDerWaalsContact O-N 3.08Å
448Q60.1Low64.7Low127 Ų127109 Ų10959%0.59356%0.557SS**Hα-helixtrans-64.1-42175.9-76.5-179.4-12.700111.6G445 R450 V451 Q452G445-Q448 PolarHBondContact O-N 3.42Å; Q448-R450 VanDerWaalsContact C-N 3.3Å; Q448-R450 PolarHBondContact O-N 3.42Å; Q448-V451 PolarHBondContact O-N 2.87Å; Q448-Q452 WeakPolarHBondContact O-CB 3.3Å; Q448-Q452 PolarHBondContact O-N 3.37Å
449R58.4Low65.7Low158 Ų158107.5 Ų107.560%0.59655%0.553SS**Hα-helixtrans-59.4-39.4174.8-66.7-170.1-171.9-140.72.3112.3P444 G445 L453P444-R449 HydrophobicContact CB-CG 4.45Å; P444-R449 PolarHBondContact O-NE 2.66Å; G445-R449 PolarHBondContact O-N 3.23Å; R449-L453 VanDerWaalsContact O-CB 3.29Å; R449-L453 WeakPolarHBondContact O-CB 3.34Å; R449-L453 PolarHBondContact O-N 2.9Å
450R62.2Low67.3Low181 Ų181103.3 Ų103.368%0.68354%0.54SS*.Hα-helixtrans-65.3-43.6176.4-172.9179.9-67.2-178.1-2.1112.1P446 S447 Q448 L453 Q454P446-R450 WeakPolarHBondContact O-CB 3.48Å; P446-R450 PolarHBondContact O-N 2.82Å; S447-R450 PolarHBondContact O-N 3.3Å; Q448-R450 VanDerWaalsContact C-N 3.3Å; Q448-R450 PolarHBondContact O-N 3.42Å; R450-L453 PolarHBondContact O-N 3.12Å; R450-Q454 WeakPolarHBondContact O-CB 3.47Å; R450-Q454 WeakPolarHBondContact O-CG 3.42Å; R450-Q454 PolarHBondContact O-N 2.81Å
451V70.8Confident68.8Low93 Ų93100.9 Ų100.956%0.56453%0.532SS*.Hα-helixtrans-66.4-42.3176.8174.60000111.2S447 Q448 L453 Q454 K455S447-V451 WeakPolarHBondContact O-CG2 3.38Å; S447-V451 PolarHBondContact O-N 2.85Å; S447-V451 VanDerWaalsContact O-N 3.08Å; Q448-V451 PolarHBondContact O-N 2.87Å; V451-L453 PolarHBondContact O-N 3.34Å; V451-Q454 PolarHBondContact O-N 2.77Å; V451-K455 WeakPolarHBondContact O-CB 3.21Å; V451-K455 PolarHBondContact O-N 3.43Å
452Q73.3Confident70.1Confident116 Ų116103.2 Ų103.254%0.54253%0.533SS..Hα-helixtrans-61.4-44.5175.4-158.48023.800111.2Q448 K455 N456Q448-Q452 WeakPolarHBondContact O-CB 3.3Å; Q448-Q452 PolarHBondContact O-N 3.37Å; Q452-K455 PolarHBondContact O-N 3.44Å; Q452-N456 WeakPolarHBondContact O-CB 3.38Å; Q452-N456 PolarHBondContact O-N 2.7Å; Q452-N456 PolarHBondContact O-OD1 2.84Å; Q452-N456 VanDerWaalsContact O-OD1 3.12Å
453L73.4Confident71.4Confident124 Ų124103.8 Ų103.865%0.64953%0.532SS*.Hα-helixtrans-66.8-39.1179.2-162.873.1000112.1R449 R450 V451 H457R449-L453 VanDerWaalsContact O-CB 3.29Å; R449-L453 WeakPolarHBondContact O-CB 3.34Å; R449-L453 PolarHBondContact O-N 2.9Å; R450-L453 PolarHBondContact O-N 3.12Å; V451-L453 PolarHBondContact O-N 3.34Å; L453-H457 VanDerWaalsContact O-CB 3.28Å; L453-H457 WeakPolarHBondContact O-CB 3.37Å; L453-H457 PolarHBondContact O-N 2.98Å
454Q75.7Confident72.9Confident131 Ų131105.6 Ų105.661%0.61254%0.539SS*.Hα-helixtrans-64.3-39172.8-78.4-179-27.400112.3R450 V451 H457 A458R450-Q454 WeakPolarHBondContact O-CB 3.47Å; R450-Q454 WeakPolarHBondContact O-CG 3.42Å; R450-Q454 PolarHBondContact O-N 2.81Å; V451-Q454 PolarHBondContact O-N 2.77Å; Q454-H457 PolarHBondContact O-N 3.13Å; Q454-A458 PolarHBondContact O-N 3.32Å
455K79.3Confident74.5Confident129 Ų129105.7 Ų105.756%0.56154%0.536SS*.Hα-helixtrans-65.7-49.6176-166.1174.7-177.7-178.80111.4V451 Q452 H457 A458 D459V451-K455 WeakPolarHBondContact O-CB 3.21Å; V451-K455 PolarHBondContact O-N 3.43Å; Q452-K455 PolarHBondContact O-N 3.44Å; K455-H457 PolarHBondContact O-N 3.03Å; K455-A458 WeakPolarHBondContact O-CB 3.02Å; K455-A458 PolarHBondContact O-N 2.91Å; K455-D459 PolarHBondContact O-N 2.84Å
456N81.4Confident75.7Confident84 Ų84107.8 Ų107.845%0.44955%0.546SS..Hα-helixtrans-57.9-36.9175.1-64.2-0.3000112.1Q452 M460Q452-N456 WeakPolarHBondContact O-CB 3.38Å; Q452-N456 PolarHBondContact O-N 2.7Å; Q452-N456 PolarHBondContact O-OD1 2.84Å; Q452-N456 VanDerWaalsContact O-OD1 3.12Å; N456-M460 WeakPolarHBondContact O-CB 3.43Å; N456-M460 PolarHBondContact O-N 3.44Å
457H78.6Confident76.9Confident106 Ų106106.1 Ų106.149%0.49153%0.53SS..Hα-helixtrans-68.7-38.8175.8-174.3-95.3000112.4L453 Q454 K455 L461L453-H457 VanDerWaalsContact O-CB 3.28Å; L453-H457 WeakPolarHBondContact O-CB 3.37Å; L453-H457 PolarHBondContact O-N 2.98Å; Q454-H457 PolarHBondContact O-N 3.13Å; K455-H457 PolarHBondContact O-N 3.03Å; H457-L461 WeakPolarHBondContact O-CG 3.45Å; H457-L461 PolarHBondContact O-N 3.29Å; H457-L461 VanDerWaalsContact O-N 3.1Å
458A83.2Confident78Confident50 Ų50105.3 Ų105.341%0.41352%0.516SS..Hα-helixtrans-66-42.7174.200000112.2Q454 K455 M460 L461 Q462Q454-A458 PolarHBondContact O-N 3.32Å; K455-A458 WeakPolarHBondContact O-CB 3.02Å; K455-A458 PolarHBondContact O-N 2.91Å; A458-M460 VanDerWaalsContact C-N 3.34Å; A458-M460 PolarHBondContact O-N 2.78Å; A458-L461 PolarHBondContact O-N 2.89Å; A458-Q462 PolarHBondContact O-N 3.46Å
459D86.9Confident78.8Confident75 Ų75106.7 Ų106.740%0.40152%0.516SS..Hα-helixtrans-63.7-39.9177.2-63.7-22.4000111.2K455 Q462 Q463K455-D459 PolarHBondContact O-N 2.84Å; D459-Q462 PolarHBondContact O-N 2.84Å; D459-Q463 PolarHBondContact O-N 3.47Å
460M86.4Confident79.6Confident80 Ų80105.1 Ų105.139%0.39452%0.516SS..Hα-helixtrans-64.2-40.3175.3-179.1-98.3-71.800112.7N456 A458 Q463 L464N456-M460 WeakPolarHBondContact O-CB 3.43Å; N456-M460 PolarHBondContact O-N 3.44Å; A458-M460 VanDerWaalsContact C-N 3.34Å; A458-M460 PolarHBondContact O-N 2.78Å; M460-Q463 PolarHBondContact O-N 2.84Å; M460-L464 WeakPolarHBondContact O-CG 3.12Å; M460-L464 PolarHBondContact O-N 2.9Å; M460-L464 HydrophobicContact SD-CD1 3.64Å; M460-L464 HydrophobicContact SD-CG 4.42Å
461L86.9Confident80.2Confident92 Ų92103.7 Ų103.748%0.48251%0.51SS..Hα-helixtrans-64.9-37.9173.6-70.9173.3000112.3H457 A458 L464 D465H457-L461 WeakPolarHBondContact O-CG 3.45Å; H457-L461 PolarHBondContact O-N 3.29Å; H457-L461 VanDerWaalsContact O-N 3.1Å; A458-L461 PolarHBondContact O-N 2.89Å; L461-L464 PolarHBondContact O-N 3.4Å; L461-D465 PolarHBondContact O-N 3.34Å; L461-D465 VanDerWaalsContact O-N 3.09Å
462Q86.6Confident80.4Confident137 Ų137107.4 Ų107.464%0.6451%0.514SS*.Hα-helixtrans-65.7-36.3173.1-79.2-169.2-1400112.9A458 D459 S466A458-Q462 PolarHBondContact O-N 3.46Å; D459-Q462 PolarHBondContact O-N 2.84Å; Q462-S466 WeakPolarHBondContact O-CB 3.23Å; Q462-S466 PolarHBondContact O-N 2.89Å; Q462-S466 PolarHBondContact O-OG 3.11Å
463Q82.3Confident80.1Confident135 Ų135108.2 Ų108.263%0.63152%0.522SS*.Hα-helixtrans-65.2-44.6173.4-76.2-169.7-40.400111.9D459 M460 D465 S466 I467D459-Q463 PolarHBondContact O-N 3.47Å; M460-Q463 PolarHBondContact O-N 2.84Å; Q463-D465 PolarHBondContact O-N 3.33Å; Q463-S466 WeakPolarHBondContact O-CB 3.19Å; Q463-S466 PolarHBondContact O-N 3.48Å; Q463-I467 VanDerWaalsContact O-CG1 3.29Å; Q463-I467 WeakPolarHBondContact O-CG1 3.31Å; Q463-I467 PolarHBondContact O-N 2.84Å
464L82.3Confident79.6Confident99 Ų99112.7 Ų112.752%0.51853%0.53SS..Hα-helixtrans-60.7-45.5177.9-73.6172.5000112.2M460 L461 S466 I467 E468M460-L464 WeakPolarHBondContact O-CG 3.12Å; M460-L464 PolarHBondContact O-N 2.9Å; M460-L464 HydrophobicContact SD-CD1 3.64Å; M460-L464 HydrophobicContact SD-CG 4.42Å; L461-L464 PolarHBondContact O-N 3.4Å; L464-S466 VanDerWaalsContact C-N 3.32Å; L464-S466 PolarHBondContact O-N 3.36Å; L464-I467 PolarHBondContact O-N 2.85Å; L464-E468 WeakPolarHBondContact O-CB 3.34Å; L464-E468 PolarHBondContact O-N 2.71Å
465D84.7Confident78.7Confident74 Ų74113.8 Ų113.840%0.39654%0.535SS..Hα-helixtrans-65.8-34.4176.2-174.454.2000112.2L461 Q463 E468 R469L461-D465 PolarHBondContact O-N 3.34Å; L461-D465 VanDerWaalsContact O-N 3.09Å; Q463-D465 PolarHBondContact O-N 3.33Å; D465-E468 PolarHBondContact O-N 2.8Å; D465-R469 WeakPolarHBondContact O-CB 3.25Å; D465-R469 VanDerWaalsContact O-CG 3.23Å; D465-R469 WeakPolarHBondContact O-CG 3.47Å; D465-R469 PolarHBondContact O-N 3.4Å; D465-R469 IonicContact OD1-NE 3.29Å; D465-R469 IonicContact OD2-CZ 3.78Å; D465-R469 IonicContact OD2-NE 2.69Å; D465-R469 PolarHBondContact OD2-NE 2.89Å; D465-R469 IonicContact OD2-NH2 2.61Å; D465-R469 PolarHBondContact OD2-NH2 2.76Å
466S83.9Confident77.2Confident70 Ų70117.5 Ų117.549%0.4955%0.545SS..Hα-helixtrans-64.8-42.5173.3-60.60000112.3Q462 Q463 L464 R469 Q470Q462-S466 WeakPolarHBondContact O-CB 3.23Å; Q462-S466 PolarHBondContact O-N 2.89Å; Q462-S466 PolarHBondContact O-OG 3.11Å; Q463-S466 WeakPolarHBondContact O-CB 3.19Å; Q463-S466 PolarHBondContact O-N 3.48Å; L464-S466 VanDerWaalsContact C-N 3.32Å; L464-S466 PolarHBondContact O-N 3.36Å; S466-R469 PolarHBondContact O-N 3.39Å; S466-Q470 PolarHBondContact O-N 2.88Å
467I81.9Confident75.5Confident80 Ų80118.7 Ų118.741%0.4156%0.558SS.*Hα-helixtrans-65.2-42.3176.1-68.4163000110.6Q463 L464 Q470 R471Q463-I467 VanDerWaalsContact O-CG1 3.29Å; Q463-I467 WeakPolarHBondContact O-CG1 3.31Å; Q463-I467 PolarHBondContact O-N 2.84Å; L464-I467 PolarHBondContact O-N 2.85Å; I467-Q470 CarbonylContact O-C 3.57Å; I467-Q470 WeakPolarHBondContact O-CB 3.41Å; I467-Q470 PolarHBondContact O-N 3.48Å; I467-Q470 VanDerWaalsContact O-N 3.16Å; I467-R471 WeakPolarHBondContact O-CG 3.41Å; I467-R471 PolarHBondContact O-N 3.38Å
468E79.5Confident74.1Confident70 Ų70121.4 Ų121.433%0.32758%0.576SS.*Hα-helixtrans-65.1-41.7178177.555.9-162.700111.8L464 D465 Q470 R471 R472L464-E468 WeakPolarHBondContact O-CB 3.34Å; L464-E468 PolarHBondContact O-N 2.71Å; D465-E468 PolarHBondContact O-N 2.8Å; E468-Q470 VanDerWaalsContact C-N 3.32Å; E468-Q470 PolarHBondContact O-N 2.86Å; E468-R471 PolarHBondContact O-N 3.25Å; E468-R472 WeakPolarHBondContact O-CG 3.45Å; E468-R472 PolarHBondContact O-N 2.88Å; E468-R472 IonicContact OE1-CZ 3.07Å; E468-R472 VanDerWaalsContact OE1-CZ 3.28Å; E468-R472 IonicContact OE1-NE 3.69Å; E468-R472 PolarHBondContact OE1-NE 3.44Å; E468-R472 IonicContact OE1-NH2 2.72Å; E468-R472 PolarHBondContact OE1-NH2 2.81Å
469R76.9Confident72.1Confident156 Ų156129.9 Ų129.959%0.58960%0.597SS**Hα-helixtrans-59.1-42.1169.5-69.3171.4-162.2-145.812.2111.7D465 S466 R472 L473D465-R469 WeakPolarHBondContact O-CB 3.25Å; D465-R469 VanDerWaalsContact O-CG 3.23Å; D465-R469 WeakPolarHBondContact O-CG 3.47Å; D465-R469 PolarHBondContact O-N 3.4Å; D465-R469 IonicContact OD1-NE 3.29Å; D465-R469 IonicContact OD2-CZ 3.78Å; D465-R469 IonicContact OD2-NE 2.69Å; D465-R469 PolarHBondContact OD2-NE 2.89Å; D465-R469 IonicContact OD2-NH2 2.61Å; D465-R469 PolarHBondContact OD2-NH2 2.76Å; S466-R469 PolarHBondContact O-N 3.39Å; R469-R472 PolarHBondContact O-N 3.49Å; R469-L473 WeakPolarHBondContact O-CG 3.33Å; R469-L473 PolarHBondContact O-N 3.22Å
470Q76.1Confident69.9Low125 Ų125132.5 Ų132.558%0.58462%0.616SS**Hα-helixtrans-65.1-38177.1-125179.17.500112.5S466 I467 E468 L473 R474S466-Q470 PolarHBondContact O-N 2.88Å; I467-Q470 CarbonylContact O-C 3.57Å; I467-Q470 WeakPolarHBondContact O-CB 3.41Å; I467-Q470 PolarHBondContact O-N 3.48Å; I467-Q470 VanDerWaalsContact O-N 3.16Å; E468-Q470 VanDerWaalsContact C-N 3.32Å; E468-Q470 PolarHBondContact O-N 2.86Å; Q470-L473 PolarHBondContact O-N 3.41Å; Q470-R474 WeakPolarHBondContact O-CG 3.34Å; Q470-R474 PolarHBondContact O-N 3.4Å
471R74.9Confident67.6Low152 Ų152134.5 Ų134.557%0.57463%0.632SS**Hα-helixtrans-63.9-45.3172.9-74.5177.8175.7-165.6-1.9111.5I467 E468 L473 R474 Q475I467-R471 WeakPolarHBondContact O-CG 3.41Å; I467-R471 PolarHBondContact O-N 3.38Å; E468-R471 PolarHBondContact O-N 3.25Å; R471-L473 VanDerWaalsContact C-N 3.32Å; R471-L473 PolarHBondContact O-N 3.27Å; R471-R474 CarbonylContact O-C 3.4Å; R471-R474 PolarHBondContact O-N 3.02Å; R471-R474 VanDerWaalsContact O-N 3.11Å; R471-Q475 WeakPolarHBondContact O-CB 3.47Å; R471-Q475 WeakPolarHBondContact O-CG 3.15Å; R471-Q475 PolarHBondContact O-N 3.3Å
472R74.4Confident65.2Low171 Ų171139.2 Ų139.265%0.64565%0.652SS**Hα-helixtrans-62-36.8176-70175.5-171.2-1571.5113.1E468 R469E468-R472 WeakPolarHBondContact O-CG 3.45Å; E468-R472 PolarHBondContact O-N 2.88Å; E468-R472 IonicContact OE1-CZ 3.07Å; E468-R472 VanDerWaalsContact OE1-CZ 3.28Å; E468-R472 IonicContact OE1-NE 3.69Å; E468-R472 PolarHBondContact OE1-NE 3.44Å; E468-R472 IonicContact OE1-NH2 2.72Å; E468-R472 PolarHBondContact OE1-NH2 2.81Å; R469-R472 PolarHBondContact O-N 3.49Å
473L67.7Low62.7Low133 Ų133137.1 Ų137.170%0.69666%0.658SS**Hα-helixtrans-67.8-37.2173-71169.6000112.3R469 Q470 R471R469-L473 WeakPolarHBondContact O-CG 3.33Å; R469-L473 PolarHBondContact O-N 3.22Å; Q470-L473 PolarHBondContact O-N 3.41Å; R471-L473 VanDerWaalsContact C-N 3.32Å; R471-L473 PolarHBondContact O-N 3.27Å
474R61.9Low60.7Low218 Ų218136.9 Ų136.982%0.82367%0.668SS**Hα-helixtrans-75.3-26.8176-77.3-174.9171.3-164.2-1.4114.5Q470 R471 R476Q470-R474 WeakPolarHBondContact O-CG 3.34Å; Q470-R474 PolarHBondContact O-N 3.4Å; R471-R474 CarbonylContact O-C 3.4Å; R471-R474 PolarHBondContact O-N 3.02Å; R471-R474 VanDerWaalsContact O-N 3.11Å; R474-R476 VanDerWaalsContact C-N 3.28Å; R474-R476 PolarHBondContact O-N 2.83Å
475Q56.2Low58.6Low153 Ų153136.9 Ų136.972%0.71568%0.683SS**THydrogen-bonded Turntrans-82.40.1178.2-74.4-177.17.100113.8R471 P477R471-Q475 WeakPolarHBondContact O-CB 3.47Å; R471-Q475 WeakPolarHBondContact O-CG 3.15Å; R471-Q475 PolarHBondContact O-N 3.3Å; Q475-P477 WeakPolarHBondContact O-CD 3.37Å
476R47.8Very low56.2Low208 Ų208144.9 Ų144.979%0.78571%0.707SS**SBendtrans-72.6113.3173.7-144.5-178.4-174.2-157.4-1108.9R474 N478R474-R476 VanDerWaalsContact C-N 3.28Å; R474-R476 PolarHBondContact O-N 2.83Å; R476-N478 PolarHBondContact O-N 3.36Å
477P47.4Very low53.9Low109 Ų109150.9 Ų150.971%0.70873%0.727SS**  trans-73.1132.9-175.9-11.927.8000110.4Q475 R479Q475-P477 WeakPolarHBondContact O-CD 3.37Å; P477-R479 VanDerWaalsContact C-N 3.33Å; P477-R479 PolarHBondContact O-N 2.94Å
478N48.3Very low51.7Low162 Ų162151.6 Ų151.687%0.86675%0.746SS**  trans-66.392.6164.4-90.8-12.7000109.2R476 V480R476-N478 PolarHBondContact O-N 3.36Å; N478-V480 PolarHBondContact O-N 3.33Å
479R40.9Very low49.7Very low228 Ų228159.9 Ų159.986%0.8677%0.774SS**  trans-79.393.1158.1-81.1-169172.8179.1-2108.7P477 T481P477-R479 VanDerWaalsContact C-N 3.33Å; P477-R479 PolarHBondContact O-N 2.94Å; R479-T481 PolarHBondContact O-N 3.09Å
480V41.8Very low48.4Very low131 Ų131157.9 Ų157.979%0.79478%0.781SS**  trans-71.9109.9154.6178.40000106.5N478N478-V480 PolarHBondContact O-N 3.33Å
481T36.5Very low46.5Very low122 Ų122159 Ų15975%0.74880%0.796SS**  trans-147.9127.3163.1-46.70000107.1R479R479-T481 PolarHBondContact O-N 3.09Å
482E36.3Very low44.4Very low191 Ų191155 Ų15589%0.89380%0.802SS**  trans-65.5141.3-176.8-57.7172.5128.300111.2
483A34.8Very low42.3Very low92 Ų92150.5 Ų150.576%0.7681%0.808SS**  trans-151139.1158.500000109
484P39.9Very low41.7Very low130 Ų130149 Ų14984%0.84481%0.807SS**  trans-77.6158.6-166.330.7-36.3000113.8
485A39.4Very low40.3Very low100 Ų100147.2 Ų147.283%0.82681%0.807SS**  trans-61.1131.1-17600000114.3
486R33.4Very low39.2Very low242 Ų242144.9 Ų144.991%0.91381%0.814SS**  trans-141.3110.3147.1-78.3-157.4170.9-162.5-2.8112.6
487Q35.2Very low38.5Very low195 Ų195140.2 Ų140.291%0.91181%0.813SS**  trans28.3131.2143.3-63.7177.4-100120.8
488A36.3Very low37.8Very low96 Ų96141.6 Ų141.679%0.79382%0.82SS**  trans-74.1159175.100000114.6
489R37.3Very low37Very low244 Ų244139 Ų13992%0.92181%0.814SS**  trans-154.3150.7136.9-106.7170.7-167.9-163.82.7111
490P50.9Low36.6Very low113 Ų113133.2 Ų133.273%0.73482%0.816SS**  trans-107.5-163.8-17141.9-34.1000113.5
491V35.3Very low36.1Very low150 Ų150130.6 Ų130.691%0.90982%0.815SS**  trans83.8133.8-176.5-170.80000112.6
492G31.5Very low36Very low68 Ų68132.7 Ų132.770%0.70182%0.816SS**  cis-177.4163.5-4.200000109.4
493G29Very low35.9Very low75 Ų75134.4 Ų134.477%0.77382%0.815SS**  trans-89.2-156.7171.200000112.1
494P55.3Low35.9Very low103 Ų103141.6 Ų141.667%0.66982%0.822SS**  cis-134-170.8-28.218.57.1000112.4
495H33.8Very low35.5Very low179 Ų179141 Ų14183%0.82982%0.821SS**  trans75127.1166.6-43.5-77000119.2
496A31.7Very low35.2Very low104 Ų104139.6 Ų139.686%0.8682%0.816SS**  -175.1130.6111.100000111.1
497S34.1Very low35.8Very low110 Ų110133.7 Ų133.777%0.76981%0.809SS**  trans-93.8138.2174.9510000111.8
498T31.6Very low35.6Very low139 Ų139132 Ų13285%0.85380%0.801SS**  trans160.6151.4154.138.50000107.5
499S33.3Very low35.4Very low106 Ų106134.4 Ų134.474%0.74180%0.796SS**  cis-160.8155.1-10.641.20000108
500A30.9Very low35.1Very low108 Ų108131.8 Ų131.889%0.89379%0.794SS**  trans-65.5144173.500000111.8
501G31.9Very low34.2Very low75 Ų75137 Ų13777%0.77380%0.798SS**  trans-173.536.5-171.500000118.3
502Q34.8Very low34Very low167 Ų167138.3 Ų138.378%0.7880%0.799SS**  trans26.5115.2144.6-161-171.82.700119.7
503R33.4Very low34Very low227 Ų227140.1 Ų140.186%0.85780%0.797SS**  -177.6162.3115.2-98169.1-163.8-106.3-1.5114.2
504R35Very low33.9Very low243 Ų243143.4 Ų143.492%0.91780%0.802SS**  trans-64.3163.6175.6-58.7165.7178.9-125.2-0.1109.9
505S31.7Very low32.6Very low117 Ų117150.6 Ų150.682%0.81882%0.816SS**  cis-159.1167.53447.20000112.7
506G32.7Very low32.7Very low70 Ų70146.3 Ų146.372%0.72281%0.812SS**  trans-76.1-156.1168.100000112.9
507P47.1Very low32.8Very low118 Ų118150.1 Ų150.177%0.76681%0.812SS**  cis-132.9-171.66.537.3-17.1000114.5
508Q31.2Very low32.9Very low159 Ų159152.6 Ų152.674%0.74382%0.816SS**  trans140.7121.9137.9-73.6-160.316.600116.1
509H31.5Very low33.2Very low148 Ų148154.8 Ų154.869%0.68582%0.817SS**  trans32.1131.6145.9-50.5-72.3000121.8
510H29.9Very low33.9Very low189 Ų189154.9 Ų154.988%0.87581%0.808SS**  -166.7150.590.5-97.773.4000113
511R33.3Very low34.7Very low221 Ų221156.5 Ų156.583%0.83480%0.801SS**  trans-68.7152.1175.5-80.2174.4165176.7-5.2112
512L30Very low35.6Very low178 Ų178158.1 Ų158.193%0.93279%0.79SS**  -144.6150.2120.9-85-172.2000110.3
513T32.1Very low36.6Very low107 Ų107156.4 Ų156.466%0.65678%0.782SS**  trans-108.2144.2-166.845.10000112.8
514T27Very low38.1Very low143 Ų143150.4 Ų150.488%0.87776%0.763SS**  trans-160.413414336.90000113.6
515R28Very low39.6Very low254 Ų254140.5 Ų140.596%0.95873%0.734SS**  trans75.8128153.9-145.4163.1-171132.51.6117.6
516A36.8Very low41.8Very low89 Ų89139.1 Ų139.174%0.73672%0.717SS**  trans-98.9141.7-173.400000111.8
517E33.6Very low44.1Very low185 Ų185139.9 Ų139.986%0.86470%0.704SS**  trans-132.5138.1155.5-67-178.1164.500105.4E519E517-E519 PolarHBondContact O-N 3.4Å
518D34.8Very low45.4Very low161 Ų161139.1 Ų139.186%0.86169%0.692SS**  trans-74.998.5-171.2-70.6-51.8000111.8I520D518-I520 PolarHBondContact O-N 3.4Å
519E39Very low47.5Very low186 Ų186132.7 Ų132.787%0.86967%0.668SS**  trans-69.895.1168.6-75.3-167.414600110.6E517 L521E517-E519 PolarHBondContact O-N 3.4Å; E519-L521 PolarHBondContact O-N 2.85Å
520I46.9Very low49.1Very low107 Ų107133.4 Ų133.455%0.54967%0.665SS.*  trans-63.9103.4166.6-58.9174.1000108.4D518 M522D518-I520 PolarHBondContact O-N 3.4Å; I520-M522 PolarHBondContact O-N 3.36Å
521L48.6Very low51.1Low143 Ų143128.4 Ų128.475%0.74965%0.645SS**  trans-61.3104.3174.5-99.5150.1000110.3E519 V541E519-L521 PolarHBondContact O-N 2.85Å; L521-V541 WeakPolarHBondContact O-CG2 3.47Å
522M50.3Low52.9Low108 Ų108120.6 Ų120.653%0.53263%0.633SS.*EExtended strand (participates in β ladder)trans-89.6124.5176.6-73.6-85.1-113.100110.2I520I520-M522 PolarHBondContact O-N 3.36Å
523Q56.4Low54.9Low132 Ų132120.3 Ų120.362%0.61762%0.62SS**EExtended strand (participates in β ladder)trans-111.6141.8179.2-163.8142.325.900112R538 F539Q523-R538 WeakPolarHBondContact O-CA 3.33Å; Q523-F539 PolarHBondContact N-O 3.19Å; Q523-F539 VanDerWaalsContact N-O 3.09Å; Q523-F539 PolarHBondContact O-N 3.03Å; Q523-F539 VanDerWaalsContact O-N 3.16Å
524E63.4Low57Low100 Ų100120.5 Ų120.547%0.46762%0.616SS.*EExtended strand (participates in β ladder)trans-86.9133177.8-76.9-177.1179.800111.8G537 R538E524-G537 WeakPolarHBondContact CA-O 3.3Å; E524-R538 HydrophobicContact CG-CG 3.5Å; E524-R538 IonicContact OE1-CZ 2.89Å; E524-R538 IonicContact OE1-NE 3.81Å; E524-R538 PolarHBondContact OE1-NE 2.74Å; E524-R538 IonicContact OE1-NH2 3.6Å; E524-R538 PolarHBondContact OE1-NH2 3.09Å
525A67.5Low59.2Low36 Ų36119.4 Ų119.430%0.29860%0.596SS.*EExtended strand (participates in β ladder)trans-143.7172.6165.200000112.3G537 F539A525-G537 PolarHBondContact N-O 3.31Å; A525-G537 PolarHBondContact O-N 3.26Å; A525-F539 HydrophobicContact CB-CE1 3.65Å; A525-F539 HydrophobicContact CB-CZ 4.15Å
526D78.3Confident61.6Low88 Ų88114.2 Ų114.247%0.47158%0.581SS.*EExtended strand (participates in β ladder)trans-100.4121.5-170.6-72.52.8000110.1I534 K536D526-I534 HydrophobicContact CB-CG2 3.6Å; D526-K536 WeakPolarHBondContact OD1-CD 3.43Å; D526-K536 WeakPolarHBondContact OD1-CE 3.16Å; D526-K536 IonicContact OD1-NZ 3.28Å; D526-K536 PolarHBondContact OD1-NZ 3.4Å; D526-K536 IonicContact OD2-NZ 2.76Å
527I79.6Confident63.2Low85 Ų85110.8 Ų110.844%0.43655%0.554SS.*EExtended strand (participates in β ladder)trans-116.4134.4-172.9-48177.7000109.4I534 Y535I527-I534 CarbonylContact O-C 3.53Å; I527-I534 WeakPolarHBondContact O-CA 3.48Å; I527-Y535 PolarHBondContact N-O 3.06Å; I527-Y535 PolarHBondContact O-N 2.94Å
528I74.3Confident64.8Low102 Ų102110.1 Ų110.152%0.52354%0.543SS..EExtended strand (participates in β ladder)trans-87.2121.2177.7-63.9161.7000109.9R533 I534I528-R533 CarbonylContact C-O 3.59Å; I528-R533 WeakPolarHBondContact CA-O 3.4Å; I528-I534 HydrophobicContact CG1-CG1 3.79Å
529G76.9Confident66.3Low24 Ų24106 Ų10625%0.24752%0.518CS..  trans-72.8163.917200000112.8D531 G532 R533G529-D531 PolarHBondContact O-N 2.93Å; G529-D531 VanDerWaalsContact O-N 3.07Å; G529-G532 PolarHBondContact O-N 2.8Å; G529-R533 PolarHBondContact N-O 3.12Å
530R64.6Low66.8Low163 Ų16398.6 Ų98.662%0.61549%0.487SS*.THydrogen-bonded Turntrans-62.6-12.8177.5-74.5178.4170.3167-7.2114.1G532 I554 A555R530-G532 VanDerWaalsContact C-N 3.33Å; R530-I554 VanDerWaalsContact NH2-C 3.34Å; R530-I554 PolarHBondContact NH2-O 2.82Å; R530-A555 PolarHBondContact NH2-O 3.15Å
531D72.4Confident67.1Low85 Ų8597.2 Ų97.246%0.45548%0.483SS..THydrogen-bonded Turntrans-88.21.9172.569.5-26.2000113.5G529 R533 Y535G529-D531 PolarHBondContact O-N 2.93Å; G529-D531 VanDerWaalsContact O-N 3.07Å; D531-R533 VanDerWaalsContact C-N 3.32Å; D531-R533 PolarHBondContact OD1-N 2.68Å; D531-R533 VanDerWaalsContact OD1-N 3.15Å; D531-R533 WeakPolarHBondContact OD2-CD 3.41Å; D531-R533 VanDerWaalsContact OD2-CG 3.3Å; D531-R533 WeakPolarHBondContact OD2-CG 3.48Å; D531-R533 IonicContact OD2-NE 3.18Å; D531-Y535 PolarHBondContact OD2-OH 3.19Å; D531-Y535 VanDerWaalsContact OD2-OH 3.08Å
532G71Confident67.3Low57 Ų5796.4 Ų96.459%0.58848%0.48SS*.SBendtrans797.1-178.200000114.6G529 R530G529-G532 PolarHBondContact O-N 2.8Å; R530-G532 VanDerWaalsContact C-N 3.33Å
533R70.5Confident67.3Low172 Ų17298.7 Ų98.765%0.64949%0.489SS*.  trans-94.4149.9179.5-62.8-173.2179.4-179.7-2111.8I528 G529 D531 Y535I528-R533 CarbonylContact C-O 3.59Å; I528-R533 WeakPolarHBondContact CA-O 3.4Å; G529-R533 PolarHBondContact N-O 3.12Å; D531-R533 VanDerWaalsContact C-N 3.32Å; D531-R533 PolarHBondContact OD1-N 2.68Å; D531-R533 VanDerWaalsContact OD1-N 3.15Å; D531-R533 WeakPolarHBondContact OD2-CD 3.41Å; D531-R533 VanDerWaalsContact OD2-CG 3.3Å; D531-R533 WeakPolarHBondContact OD2-CG 3.48Å; D531-R533 IonicContact OD2-NE 3.18Å; R533-Y535 HydrophobicContact CB-CE2 3.73Å; R533-Y535 VanDerWaalsContact O-CD2 3.28Å; R533-Y535 WeakPolarHBondContact O-CD2 3.49Å; R533-Y535 WeakPolarHBondContact O-CE2 3.46Å
534I76.9Confident66.8Low111 Ų11198.8 Ų98.857%0.56949%0.493SS*.EExtended strand (participates in β ladder)trans-93.5132.4-179.5-64.9169.7000110D526 I527 I528D526-I534 HydrophobicContact CB-CG2 3.6Å; I527-I534 CarbonylContact O-C 3.53Å; I527-I534 WeakPolarHBondContact O-CA 3.48Å; I528-I534 HydrophobicContact CG1-CG1 3.79Å
535Y73.6Confident65.8Low119 Ų119103.1 Ų103.147%0.46751%0.51SS..EExtended strand (participates in β ladder)trans-127141.2-179-62.9-87.9000110.8I527 D531 R533 G537I527-Y535 PolarHBondContact N-O 3.06Å; I527-Y535 PolarHBondContact O-N 2.94Å; D531-Y535 PolarHBondContact OD2-OH 3.19Å; D531-Y535 VanDerWaalsContact OD2-OH 3.08Å; R533-Y535 HydrophobicContact CB-CE2 3.73Å; R533-Y535 VanDerWaalsContact O-CD2 3.28Å; R533-Y535 WeakPolarHBondContact O-CD2 3.49Å; R533-Y535 WeakPolarHBondContact O-CE2 3.46Å; Y535-G537 PolarHBondContact O-N 3.45Å
536K78.4Confident64.2Low145 Ų145106 Ų10663%0.6353%0.529SS*.EExtended strand (participates in β ladder)trans-76114.2173.9-76.4-87.8174.3-153.80110.2D526D526-K536 WeakPolarHBondContact OD1-CD 3.43Å; D526-K536 WeakPolarHBondContact OD1-CE 3.16Å; D526-K536 IonicContact OD1-NZ 3.28Å; D526-K536 PolarHBondContact OD1-NZ 3.4Å; D526-K536 IonicContact OD2-NZ 2.76Å
537G70.3Confident62.5Low17 Ų17108.1 Ų108.118%0.17555%0.547CS..EExtended strand (participates in β ladder)trans-113.5159.8173.400000112.3E524 A525 Y535E524-G537 WeakPolarHBondContact CA-O 3.3Å; A525-G537 PolarHBondContact N-O 3.31Å; A525-G537 PolarHBondContact O-N 3.26Å; Y535-G537 PolarHBondContact O-N 3.45Å
538R67.6Low60.2Low171 Ų171113.1 Ų113.165%0.64557%0.568SS**EExtended strand (participates in β ladder)trans-118.9138.6173.3-72.7-179.7179-161.20.4109.8Q523 E524Q523-R538 WeakPolarHBondContact O-CA 3.33Å; E524-R538 HydrophobicContact CG-CG 3.5Å; E524-R538 IonicContact OE1-CZ 2.89Å; E524-R538 IonicContact OE1-NE 3.81Å; E524-R538 PolarHBondContact OE1-NE 2.74Å; E524-R538 IonicContact OE1-NH2 3.6Å; E524-R538 PolarHBondContact OE1-NH2 3.09Å
539F66.3Low58.9Low74 Ų74114.4 Ų114.433%0.32558%0.582SS.*EExtended strand (participates in β ladder)trans-140.9158.2174.955.6-97.3000112.3Q523 A525Q523-F539 PolarHBondContact N-O 3.19Å; Q523-F539 VanDerWaalsContact N-O 3.09Å; Q523-F539 PolarHBondContact O-N 3.03Å; Q523-F539 VanDerWaalsContact O-N 3.16Å; A525-F539 HydrophobicContact CB-CE1 3.65Å; A525-F539 HydrophobicContact CB-CZ 4.15Å
540S47.9Very low57.1Low32 Ų32123 Ų12322%0.22461%0.612CS.*EExtended strand (participates in β ladder)trans-81.4137.5176.3-48.30000110.8D542 Q543S540-D542 PolarHBondContact O-N 2.78Å; S540-Q543 PolarHBondContact O-N 3.44Å
541V54Low55.9Low77 Ų77121.6 Ų121.647%0.46762%0.616SS.*G310 helixtrans-62.3-26.4-173.7173.30000113.6L521 Q543 L544L521-V541 WeakPolarHBondContact O-CG2 3.47Å; V541-Q543 PolarHBondContact O-N 3.37Å; V541-L544 PolarHBondContact O-N 3.17Å
542D52.3Low54.1Low127 Ų127123.2 Ų123.268%0.67963%0.631SS**G310 helixtrans-67.4-14.7-177.7-64.1-55000115.1S540 L544S540-D542 PolarHBondContact O-N 2.78Å; D542-L544 PolarHBondContact O-N 3.45Å
543Q50.3Low52.7Low156 Ų156127.1 Ų127.173%0.72964%0.638SS**G310 helixtrans-79.7-0.6176.4-65.9-1747.200113.9S540 V541S540-Q543 PolarHBondContact O-N 3.44Å; V541-Q543 PolarHBondContact O-N 3.37Å
544L46.4Very low51.2Low134 Ų134124.7 Ų124.770%0.70264%0.637SS**  trans-117.747.6-173.6-143.679.5000114.4V541 D542V541-L544 PolarHBondContact O-N 3.17Å; D542-L544 PolarHBondContact O-N 3.45Å
545K42.8Very low49.2Very low190 Ų190123.6 Ų123.683%0.82665%0.645SS**  trans-114.757.8167.5-77.6-178.4-179.6165.20112.8
546S34Very low47.3Very low97 Ų97122.9 Ų122.968%0.67866%0.657SS**  trans-145.3122.5159.954.50000109.7E548S546-E548 PolarHBondContact O-N 2.87Å
547P42.1Very low45.1Very low132 Ų132127.8 Ų127.886%0.85767%0.672SS**  trans-89.784.8-17634.6-32.9000110.9
548E31.7Very low43.4Very low190 Ų190134.9 Ų134.989%0.88871%0.706SS**  trans-156.7141.2155.1-118.8167.6-137.100113.1S546 K550S546-E548 PolarHBondContact O-N 2.87Å; E548-K550 PolarHBondContact O-N 3.19Å
549T46.3Very low41.7Very low130 Ų130130.1 Ų130.180%0.79871%0.709SS**  trans-78.7115.6-167.549.80000113.3
550K40.4Very low40Very low203 Ų203137 Ų13788%0.88374%0.739SS**  trans-171.9140.6141.5-98.3141.8-169.2174.40110.9E548E548-K550 PolarHBondContact O-N 3.19Å
551L37.9Very low39.1Very low135 Ų135143.4 Ų143.471%0.70777%0.77SS**  trans-66.7143.3174.2-67.7167.5000110.5N553L551-N553 PolarHBondContact O-N 3.47Å; L551-N553 VanDerWaalsContact O-N 3.16Å
552P36.3Very low38Very low119 Ų119149.3 Ų149.377%0.77379%0.789SS**  trans-71.7112-17817.6-16.2000111.2
553N40.6Very low36.8Very low138 Ų138152.2 Ų152.274%0.73880%0.799SS**PPolyproline II helixtrans-85.6123.8168.4-169.8-2.5000108.9L551 A555L551-N553 PolarHBondContact O-N 3.47Å; L551-N553 VanDerWaalsContact O-N 3.16Å; N553-A555 PolarHBondContact O-N 2.75Å
554I39.9Very low35.6Very low122 Ų122156.2 Ų156.263%0.62681%0.807SS**PPolyproline II helixtrans-62.9123.7-178.7-54170.7000108.4R530R530-I554 VanDerWaalsContact NH2-C 3.34Å; R530-I554 PolarHBondContact NH2-O 2.82Å
555A34.5Very low34.8Very low88 Ų88155.6 Ų155.673%0.72781%0.809SS**PPolyproline II helixtrans-78.1162.7176.800000112.6R530 N553R530-A555 PolarHBondContact NH2-O 3.15Å; N553-A555 PolarHBondContact O-N 2.75Å
556S33.3Very low34.1Very low103 Ų103157 Ų15772%0.7281%0.81SS**PPolyproline II helixtrans-91.9146.4178.4-64.10000111.5
557R32.3Very low33.7Very low249 Ų249159.6 Ų159.694%0.9482%0.816SS**  trans-121.2117.7166.8-162.1178.6-170-175.93.7108.1
558D35.3Very low33.3Very low166 Ų166158.5 Ų158.589%0.88881%0.807SS**  trans-68.4136.7-175.3-80.1-65.6000112.9
559G31.3Very low33.6Very low70 Ų70155.6 Ų155.672%0.72280%0.804SS**  trans-146.699.4-178.300000110.7L561G559-L561 PolarHBondContact O-N 2.92Å; G559-L561 VanDerWaalsContact O-N 3.14Å
560K30.9Very low32.8Very low219 Ų219158.4 Ų158.495%0.95281%0.806SS**  trans-62.1102.9-169.3-170.3176.6-171171.80113.4
561L28.9Very low32.3Very low167 Ų167154.7 Ų154.787%0.87480%0.8SS**PPolyproline II helixtrans-87.9126.5171.7-172.466.1000110.9G559G559-L561 PolarHBondContact O-N 2.92Å; G559-L561 VanDerWaalsContact O-N 3.14Å
562K29.7Very low32.2Very low201 Ų201153.9 Ų153.987%0.87480%0.803SS**PPolyproline II helixtrans-86.1124.8175-121.5179.6-179.41790110.1
563E27.2Very low31.7Very low188 Ų188153.2 Ų153.288%0.87981%0.807SS**PPolyproline II helixtrans-81.8137.9-176.6-165.1177.5-156.100112.2
564R25.4Very low31.1Very low239 Ų239153.4 Ų153.490%0.90281%0.813SS**  trans-149.893.2158.5-169.3162.8173.4157.4-3.7111.9
565T30.3Very low30.5Very low122 Ų122152.7 Ų152.775%0.74882%0.819SS**  trans14.9132.4153.910.70000121.1
566R28.6Very low30.9Very low220 Ų220154.2 Ų154.283%0.8382%0.821SS**  trans-112.6118.7177.3171.3-163.1-175.7174.14.8111
567N25.9Very low30.6Very low151 Ų151158.1 Ų158.181%0.80783%0.828SS**  trans-125.8129.5167.1-62.224.8000109.7
568T31.7Very low30.3Very low108 Ų108150.9 Ų150.966%0.66382%0.822SS**  trans-120.4155.1177.255.70000109.9
569P38.6Very low29.9Very low130 Ų130151.7 Ų151.784%0.84482%0.82SS**  -151.6172.896.636.3-16.5000118
570K29.7Very low31Very low189 Ų189152.9 Ų152.982%0.82282%0.815SS**  trans-55.1165.8168.5-71170.2177.7177.10113.4
571T29.8Very low30.9Very low125 Ų125147.4 Ų147.477%0.76780%0.804SS**  cis-164.7-154.214.69.20000109.4
572P35.6Very low31.8Very low118 Ų118144.6 Ų144.677%0.76680%0.796SS**  -106.1174.7-98.937.3-17.8000115.1
573A25.4Very low31.9Very low105 Ų105142.8 Ų142.887%0.86880%0.795SS**  trans-109.9147.3172.200000112.6
574V28.1Very low32Very low141 Ų141138 Ų13886%0.85579%0.787SS**  trans-118.2138.8-176.9159.60000109.3
575S29Very low32.2Very low107 Ų107132.8 Ų132.875%0.74878%0.783SS**  trans-75.1171.5173-540000112.2
576P40.9Very low33.1Very low120 Ų120132.1 Ų132.178%0.77978%0.781SS**  -141.5172.5106.532-15.2000116.4
577E26.9Very low33.9Very low186 Ų186126.5 Ų126.587%0.86977%0.773SS**  trans-39.2167.3170.2-65.7153.393.900116.5
578A26.1Very low34Very low97 Ų97123.6 Ų123.680%0.80276%0.764SS**  cis-156.6166.533.100000116.2
579E28Very low33.9Very low183 Ų183126.2 Ų126.286%0.85577%0.773SS**  trans-106.2-165.7171-75-147139.500111.8
580P54.7Low33.3Very low94 Ų94124.6 Ų124.661%0.6177%0.765SS**  -140.3-166.6-78.544.6-26.9000115.3
581S28.5Very low33.3Very low104 Ų104120.5 Ų120.573%0.72776%0.756SS**  trans77.3168.3148.8-69.30000120.2
582P47Very low33.3Very low108 Ų108123.9 Ų123.970%0.70176%0.76SS**  cis-135168.2-6.219.66.2000118.3
583L31.5Very low32.9Very low163 Ų163122.9 Ų122.985%0.85376%0.756SS**  trans17.4143.1145.1-65.979.5000121
584A30.1Very low33.2Very low87 Ų87125.7 Ų125.772%0.71976%0.755SS**  -177.3147.258.100000115.8
585T30Very low33.6Very low131 Ų131127.3 Ų127.380%0.80475%0.754SS**  trans-3.8165148.946.30000122.8
586P48.4Very low33.8Very low108 Ų108128 Ų12870%0.70176%0.755SS**  cis-134.8-138.5-24.339.7-17.8000109.7
587P45.7Very low33.2Very low102 Ų102127.2 Ų127.266%0.66275%0.753SS**  cis-136178.5-23.337.6-17.4000117.6
588S29.1Very low33.6Very low89 Ų89127 Ų12762%0.62275%0.752SS**  trans71117.8141.262.90000125.3
589L29Very low34.4Very low163 Ų163128 Ų12885%0.85375%0.75SS**  83.5101.7126-69.4172.5000122.5
590S26.4Very low34.5Very low97 Ų97123.6 Ų123.668%0.67875%0.745SS**  110.8144.7105.6-155.80000120.8
591T28.2Very low33.3Very low103 Ų103124 Ų12463%0.63275%0.75SS**  trans79.3115.4161.154.50000122
592K30.1Very low33.4Very low196 Ų196124.7 Ų124.785%0.85276%0.755SS**  60.3136.7125.5-60.2170.6-175.8176.90117.1
593S27.5Very low32.6Very low97 Ų97123.2 Ų123.268%0.67876%0.759SS**  cis158.1137.28.31630000103.7
594L31.8Very low32.7Very low163 Ų163121.4 Ų121.485%0.85376%0.76SS**  trans174.9106.8133.2-94160.2000110.6
595Q36.5Very low32.7Very low176 Ų176120.5 Ų120.582%0.82276%0.76SS**  trans-68.8151.4150-91.3-173-32.500109
596P32.4Very low33.3Very low120 Ų120120 Ų12078%0.77976%0.758SS**  -145.2171.981.336.8-18.6000113.5
597S30Very low32.6Very low105 Ų105122.9 Ų122.973%0.73477%0.768SS**  cis-167.7146.5-17.545.10000108.8
598Q35.1Very low31.8Very low181 Ų181129.9 Ų129.985%0.84678%0.781SS**  trans-75.3165.8167.1-100.9-177.23.700111.5
599P41.3Very low32Very low118 Ų118130.3 Ų130.377%0.76679%0.79SS**  -139.9156.958.426.1-0.6000116.2
600A31Very low32.1Very low91 Ų91129.2 Ų129.275%0.75279%0.79SS**  64.4142.381.800000114.8
601S30.1Very low32.5Very low102 Ų102129.9 Ų129.971%0.71379%0.794SS**  cis-166174.81.565.20000111.4
602S31.2Very low33.1Very low119 Ų119130.6 Ų130.683%0.83280%0.801SS**  trans69.4151158.3-52.50000118.4
603G29.6Very low33.2Very low76 Ų76129 Ų12978%0.78480%0.801SS**  cis140.1103-9.300000114.3
604S33.6Very low33.4Very low125 Ų125128.2 Ų128.287%0.87481%0.808SS**  trans-173.2142.5159.6580000111.4
605G30Very low33.3Very low69 Ų69125.9 Ų125.971%0.71181%0.805SS**  trans-97.3175168.300000112.6
606P42.9Very low33.1Very low119 Ų119125.3 Ų125.377%0.77381%0.806SS**  trans-105.6119.6175.317.82.2000112.7
607D32.1Very low33.1Very low169 Ų169125.1 Ų125.190%0.90481%0.808SS**PPolyproline II helixtrans-76.2146.8162-73.6-50.8000110.7
608W30.5Very low33.4Very low250 Ų250125.5 Ų125.595%0.94781%0.807SS**PPolyproline II helixtrans-96.8125.9170.4-79.669.4000110.1
609A33Very low33.3Very low97 Ų97123.1 Ų123.180%0.80281%0.808SS**PPolyproline II helixtrans-103.8148.7179.600000112.4
610V30.8Very low32.8Very low140 Ų140123.1 Ų123.185%0.84881%0.811SS**PPolyproline II helixtrans-85.1135.6179.8177.10000110.5
611S35.4Very low32.8Very low111 Ų111123.3 Ų123.378%0.77681%0.812SS**PPolyproline II helixtrans-85.8132.5173.5-60.20000111.9
612P40.7Very low32.9Very low119 Ų119123.4 Ų123.477%0.77382%0.819SS**PPolyproline II helixtrans-89.5165.4172.335.4-33.4000113.2
613L32.5Very low32.9Very low163 Ų163126.4 Ų126.485%0.85382%0.82SS**PPolyproline II helixtrans-57.1143.9-174.9-74.263.4000114.1
614G30Very low33.1Very low80 Ų80128.2 Ų128.283%0.82582%0.82SS**PPolyproline II helixtrans-93.9120.9155.900000110.3
615S31.5Very low33Very low114 Ų114131.3 Ų131.380%0.79782%0.821SS**PPolyproline II helixtrans-95.3135.7177.8-54.60000111.2
616I32.1Very low33.9Very low164 Ų164132.3 Ų132.384%0.84182%0.815SS**  trans-130.1119.1174.5-61.7175.1000109.2
617S30.9Very low33.6Very low116 Ų116135 Ų13581%0.81182%0.822SS**  trans178.6159.7165.1-79.20000108.7
618P36.6Very low33.9Very low112 Ų112130.5 Ų130.573%0.72782%0.816SS**  -127.8171.3-50.738-24.1000111S620P618-S620 PolarHBondContact O-N 2.79Å
619P34.2Very low34.3Very low132 Ų132130.9 Ų130.986%0.85784%0.835SS**PPolyproline II helixtrans-79.5116.1168.231.2-30.4000110.6
620S30.3Very low34.4Very low118 Ų118132.6 Ų132.683%0.82584%0.836SS**PPolyproline II helixtrans-84.6136169.8-171.60000110.2P618P618-S620 PolarHBondContact O-N 2.79Å
621A30Very low34.6Very low94 Ų94132.2 Ų132.278%0.77784%0.836SS**PPolyproline II helixtrans-67.9148.9171.100000111
622A33Very low34.5Very low104 Ų104133.3 Ų133.386%0.8684%0.839SS**  trans-120.4116.2166.400000108.2
623E31.4Very low34.2Very low183 Ų183134.2 Ų134.286%0.85584%0.843SS**  trans-87.3159.7171.4-87.7-173.3123.200111.9
624S34.2Very low34.3Very low113 Ų113132.4 Ų132.479%0.7984%0.842SS**  trans61115.3154.159.20000120.8
625E31.3Very low34.5Very low190 Ų190135.9 Ų135.989%0.88884%0.843SS**  -159163.1104-95.6-123.5113.400111.3
626P48.3Very low34.8Very low91 Ų91137.4 Ų137.459%0.59185%0.847SS**  trans-124.9-176.5-153.644.1-31.6000116.2
627L37.5Very low35Very low176 Ų176135.4 Ų135.492%0.92185%0.847SS**  trans71.7129.9160.9-61.8169.5000119.4
628G38.2Very low35.3Very low74 Ų74137 Ų13776%0.76385%0.85SS**  trans155.485.4152.200000117.9
629L38.7Very low35.2Very low257 Ų257139.3 Ų139.3100%1.34686%0.861SS**  trans72.40166.6-64.3168.2000118.3

Retrieved 629 of 629 residues in 471.8 ms (Link to these results)

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