A0A024RBT8_HUMAN Loading...

Coiled-coil domain containing 62

AlphaFold DB , UniProt , Accession A0A024RBT8, Species HUMAN (Homo sapiens, Human), Gene CCDC62, Length 497 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
1M81.7Confident93.8Very high216 Ų216121.4 Ų121.4100%1.06461%0.613SS**  0-56.30-62.2-146.8-66.100112.3E3 H4 A5M1-E3 VanDerWaalsContact C-N 3.35Å; M1-E3 PolarHBondContact O-N 3.09Å; M1-H4 WeakPolarHBondContact O-CB 3.3Å; M1-H4 PolarHBondContact O-N 3.09Å; M1-A5 PolarHBondContact O-N 2.94Å
2L93.2Very high94.1Very high156 Ų156115.3 Ų115.382%0.81760%0.596SS**Hα-helixtrans-51.8-44.2-174.7-147.483.6000114.8H4 A5 L6L2-H4 VanDerWaalsContact C-N 3.3Å; L2-H4 PolarHBondContact O-N 3.22Å; L2-A5 PolarHBondContact O-N 3.47Å; L2-L6 WeakPolarHBondContact O-CB 3.25Å; L2-L6 PolarHBondContact O-N 3.07Å
3E92.9Very high94.3Very high153 Ų153116.1 Ų116.172%0.71560%0.595SS**Hα-helixtrans-66.3-27.6179.5-61.2176.8161.900114.2M1 R7M1-E3 VanDerWaalsContact C-N 3.35Å; M1-E3 PolarHBondContact O-N 3.09Å; E3-R7 WeakPolarHBondContact O-CG 3.4Å; E3-R7 PolarHBondContact O-N 3.19Å
4H93.7Very high94.4Very high110 Ų110112.6 Ų112.651%0.50958%0.582SS.*Hα-helixtrans-72-52.2174.8-167.4-10.1000109.2M1 L2 L6 R7 D8M1-H4 WeakPolarHBondContact O-CB 3.3Å; M1-H4 PolarHBondContact O-N 3.09Å; L2-H4 VanDerWaalsContact C-N 3.3Å; L2-H4 PolarHBondContact O-N 3.22Å; H4-L6 PolarHBondContact O-N 2.71Å; H4-R7 WeakPolarHBondContact O-CA 3.37Å; H4-R7 WeakPolarHBondContact O-CB 3.43Å; H4-R7 PolarHBondContact O-N 2.94Å; H4-D8 IonicContact CE1-OD1 2.85Å; H4-D8 PolarHBondContact CE1-OD1 2.79Å; H4-D8 IonicContact CE1-OD2 3.19Å; H4-D8 PolarHBondContact CE1-OD2 2.98Å; H4-D8 VanDerWaalsContact CE1-OD2 3.25Å; H4-D8 IonicContact CG-OD2 2.68Å; H4-D8 VanDerWaalsContact ND1-CG 3.28Å; H4-D8 IonicContact ND1-OD1 2.83Å; H4-D8 PolarHBondContact ND1-OD1 3.18Å; H4-D8 IonicContact ND1-OD2 3.62Å; H4-D8 PolarHBondContact ND1-OD2 2.86Å; H4-D8 PolarHBondContact O-N 3.19Å; H4-D8 VanDerWaalsContact O-OD2 3.12Å
5A94.7Very high94.6Very high59 Ų59109.3 Ų109.349%0.48857%0.572SS.*Hα-helixtrans-56.5-36.6176.100000112.6M1 L2 D8 A9M1-A5 PolarHBondContact O-N 2.94Å; L2-A5 PolarHBondContact O-N 3.47Å; A5-D8 PolarHBondContact O-N 3.44Å; A5-A9 VanDerWaalsContact O-CB 3.23Å; A5-A9 WeakPolarHBondContact O-CB 3.46Å; A5-A9 PolarHBondContact O-N 2.94Å
6L94.7Very high94.8Very high98 Ų98109.2 Ų109.251%0.51357%0.57SS.*Hα-helixtrans-66.9-38.1174.2-178.462.9000112.9L2 H4 K10L2-L6 WeakPolarHBondContact O-CB 3.25Å; L2-L6 PolarHBondContact O-N 3.07Å; H4-L6 PolarHBondContact O-N 2.71Å; L6-K10 VanDerWaalsContact O-CG 3.31Å; L6-K10 WeakPolarHBondContact O-CG 3.32Å; L6-K10 PolarHBondContact O-N 3.21Å; L6-K10 VanDerWaalsContact O-N 3.14Å
7R95.3Very high95Very high164 Ų164107.6 Ų107.662%0.61957%0.566SS**Hα-helixtrans-68.1-42.9174.4-76.5-174-68.4-179.21.8111.1E3 H4 K10 M11E3-R7 WeakPolarHBondContact O-CG 3.4Å; E3-R7 PolarHBondContact O-N 3.19Å; H4-R7 WeakPolarHBondContact O-CA 3.37Å; H4-R7 WeakPolarHBondContact O-CB 3.43Å; H4-R7 PolarHBondContact O-N 2.94Å; R7-K10 PolarHBondContact O-N 3.21Å; R7-M11 WeakPolarHBondContact O-CG 3.36Å; R7-M11 PolarHBondContact O-N 3.46Å
8D96.1Very high95.1Very high80 Ų80108.9 Ų108.943%0.42857%0.567SS.*Hα-helixtrans-65.8-42.1180-51.8-24.9000110.9H4 A5 K10 M11 A12H4-D8 IonicContact CE1-OD1 2.85Å; H4-D8 PolarHBondContact CE1-OD1 2.79Å; H4-D8 IonicContact CE1-OD2 3.19Å; H4-D8 PolarHBondContact CE1-OD2 2.98Å; H4-D8 VanDerWaalsContact CE1-OD2 3.25Å; H4-D8 IonicContact CG-OD2 2.68Å; H4-D8 VanDerWaalsContact ND1-CG 3.28Å; H4-D8 IonicContact ND1-OD1 2.83Å; H4-D8 PolarHBondContact ND1-OD1 3.18Å; H4-D8 IonicContact ND1-OD2 3.62Å; H4-D8 PolarHBondContact ND1-OD2 2.86Å; H4-D8 PolarHBondContact O-N 3.19Å; H4-D8 VanDerWaalsContact O-OD2 3.12Å; A5-D8 PolarHBondContact O-N 3.44Å; D8-K10 PolarHBondContact O-N 3.4Å; D8-M11 PolarHBondContact O-N 2.71Å; D8-A12 WeakPolarHBondContact O-CB 3.36Å; D8-A12 PolarHBondContact O-N 2.87Å
9A96.2Very high95.3Very high57 Ų57108.7 Ų108.747%0.47156%0.562SS.*Hα-helixtrans-60.3-42.9173.700000112.4A5 A12 E13A5-A9 VanDerWaalsContact O-CB 3.23Å; A5-A9 WeakPolarHBondContact O-CB 3.46Å; A5-A9 PolarHBondContact O-N 2.94Å; A9-A12 PolarHBondContact O-N 2.85Å; A9-E13 WeakPolarHBondContact O-CB 3.46Å; A9-E13 PolarHBondContact O-N 3.09Å
10K96.1Very high95.4Very high116 Ų116111.2 Ų111.250%0.50457%0.569SS.*Hα-helixtrans-65.8-36.2175.3-75.8176.8178.2-174.90112.9L6 R7 D8 T14L6-K10 VanDerWaalsContact O-CG 3.31Å; L6-K10 WeakPolarHBondContact O-CG 3.32Å; L6-K10 PolarHBondContact O-N 3.21Å; L6-K10 VanDerWaalsContact O-N 3.14Å; R7-K10 PolarHBondContact O-N 3.21Å; D8-K10 PolarHBondContact O-N 3.4Å; K10-T14 WeakPolarHBondContact O-CB 3.43Å; K10-T14 PolarHBondContact O-N 3.45Å; K10-T14 PolarHBondContact O-OG1 3.44Å
11M96.9Very high95.5Very high126 Ų126111.3 Ų111.362%0.62157%0.567SS**Hα-helixtrans-66.3-45173.9-72.3-62.5-64.900111R7 D8 T14 C15R7-M11 WeakPolarHBondContact O-CG 3.36Å; R7-M11 PolarHBondContact O-N 3.46Å; D8-M11 PolarHBondContact O-N 2.71Å; M11-T14 WeakPolarHBondContact O-CB 3.2Å; M11-T14 PolarHBondContact O-N 3.09Å; M11-C15 PolarHBondContact O-N 3.27Å; M11-C15 PolarHBondContact O-SG 2.84Å; M11-C15 VanDerWaalsContact O-SG 3.38Å
12A97.3Very high96.3Very high49 Ų49104.6 Ų104.641%0.40554%0.536SS..Hα-helixtrans-62-45175.300000112.3D8 A9 T14 C15 I16D8-A12 WeakPolarHBondContact O-CB 3.36Å; D8-A12 PolarHBondContact O-N 2.87Å; A9-A12 PolarHBondContact O-N 2.85Å; A12-T14 VanDerWaalsContact C-N 3.33Å; A12-T14 PolarHBondContact O-N 3.32Å; A12-C15 WeakPolarHBondContact O-CB 3.48Å; A12-C15 PolarHBondContact O-N 2.86Å; A12-I16 WeakPolarHBondContact O-CG1 3.44Å; A12-I16 PolarHBondContact O-N 2.79Å
13E96.6Very high96.6Very high125 Ų125104.3 Ų104.358%0.58453%0.525SS*.Hα-helixtrans-56.9-46.1173.4-177.8-179.5-165.300111.3A9 C15 I16 V17A9-E13 WeakPolarHBondContact O-CB 3.46Å; A9-E13 PolarHBondContact O-N 3.09Å; E13-C15 VanDerWaalsContact C-N 3.31Å; E13-C15 PolarHBondContact O-N 3.03Å; E13-I16 PolarHBondContact O-N 2.9Å; E13-V17 VanDerWaalsContact O-CG2 3.31Å; E13-V17 WeakPolarHBondContact O-CG2 3.49Å; E13-V17 PolarHBondContact O-N 3.47Å
14T96.8Very high96.8Very high68 Ų68103.7 Ų103.742%0.41752%0.519SS..Hα-helixtrans-61.6-37.7177.3-58.20000112.1K10 M11 A12 K18K10-T14 WeakPolarHBondContact O-CB 3.43Å; K10-T14 PolarHBondContact O-N 3.45Å; K10-T14 PolarHBondContact O-OG1 3.44Å; M11-T14 WeakPolarHBondContact O-CB 3.2Å; M11-T14 PolarHBondContact O-N 3.09Å; A12-T14 VanDerWaalsContact C-N 3.33Å; A12-T14 PolarHBondContact O-N 3.32Å; T14-K18 WeakPolarHBondContact O-CG 3.28Å; T14-K18 PolarHBondContact O-N 2.87Å
15C97.3Very high97Very high62 Ų62103.8 Ų103.842%0.41952%0.52SS..Hα-helixtrans-66-49.4173.8-710000111.8M11 A12 E13 V17 K18 E19M11-C15 PolarHBondContact O-N 3.27Å; M11-C15 PolarHBondContact O-SG 2.84Å; M11-C15 VanDerWaalsContact O-SG 3.38Å; A12-C15 WeakPolarHBondContact O-CB 3.48Å; A12-C15 PolarHBondContact O-N 2.86Å; E13-C15 VanDerWaalsContact C-N 3.31Å; E13-C15 PolarHBondContact O-N 3.03Å; C15-V17 VanDerWaalsContact C-N 3.28Å; C15-V17 PolarHBondContact O-N 2.86Å; C15-K18 WeakPolarHBondContact O-CB 3.42Å; C15-K18 PolarHBondContact O-N 3.39Å; C15-K18 VanDerWaalsContact O-N 3.08Å; C15-E19 PolarHBondContact O-N 3.34Å
16I97.7Very high97.2Very high108 Ų108106.8 Ų106.855%0.55452%0.522SS*.Hα-helixtrans-59.3-38.8178.5-67.3163.8000111.3A12 E13 K20A12-I16 WeakPolarHBondContact O-CG1 3.44Å; A12-I16 PolarHBondContact O-N 2.79Å; E13-I16 PolarHBondContact O-N 2.9Å; I16-K20 VanDerWaalsContact O-CB 3.22Å; I16-K20 WeakPolarHBondContact O-CB 3.43Å; I16-K20 PolarHBondContact O-N 2.94Å
17V97.8Very high97.4Very high82 Ų82108 Ų10850%0.49753%0.529SS..Hα-helixtrans-64.9-40.2176.3169.40000111.8E13 C15 Q21E13-V17 VanDerWaalsContact O-CG2 3.31Å; E13-V17 WeakPolarHBondContact O-CG2 3.49Å; E13-V17 PolarHBondContact O-N 3.47Å; C15-V17 VanDerWaalsContact C-N 3.28Å; C15-V17 PolarHBondContact O-N 2.86Å; V17-Q21 PolarHBondContact O-N 3.03Å; V17-Q21 VanDerWaalsContact O-N 3.1Å
18K97.7Very high97.5Very high132 Ų132106.7 Ų106.757%0.57453%0.527SS*.Hα-helixtrans-65.2-50.7174.5-72.2172.4-179.6179.40111.4T14 C15 K20 Q21 D22T14-K18 WeakPolarHBondContact O-CG 3.28Å; T14-K18 PolarHBondContact O-N 2.87Å; C15-K18 WeakPolarHBondContact O-CB 3.42Å; C15-K18 PolarHBondContact O-N 3.39Å; C15-K18 VanDerWaalsContact O-N 3.08Å; K18-K20 VanDerWaalsContact C-N 3.3Å; K18-K20 PolarHBondContact O-N 2.79Å; K18-Q21 WeakPolarHBondContact O-CA 3.26Å; K18-Q21 WeakPolarHBondContact O-CB 3.48Å; K18-Q21 PolarHBondContact O-N 3.16Å; K18-D22 PolarHBondContact O-N 2.93Å
19E97.9Very high97.7Very high104 Ų104105.6 Ų105.649%0.48653%0.529SS..Hα-helixtrans-56-45177.2-71.6177.3-178.300111.6C15 Q21 D22 Y23C15-E19 PolarHBondContact O-N 3.34Å; E19-Q21 VanDerWaalsContact C-N 3.28Å; E19-Q21 PolarHBondContact O-N 2.73Å; E19-D22 PolarHBondContact O-N 2.85Å; E19-D22 VanDerWaalsContact O-N 3.16Å; E19-Y23 HydrophobicContact CB-CD2 4.35Å; E19-Y23 HydrophobicContact CB-CE2 4.16Å; E19-Y23 WeakPolarHBondContact O-CD2 3.5Å; E19-Y23 PolarHBondContact O-N 3.08Å
20K97.6Very high97.8Very high158 Ų158107.5 Ų107.569%0.68753%0.531SS*.Hα-helixtrans-58-38.6174.4179.3-179.6178.8178.70112.6I16 K18 K24I16-K20 VanDerWaalsContact O-CB 3.22Å; I16-K20 WeakPolarHBondContact O-CB 3.43Å; I16-K20 PolarHBondContact O-N 2.94Å; K18-K20 VanDerWaalsContact C-N 3.3Å; K18-K20 PolarHBondContact O-N 2.79Å; K20-K24 WeakPolarHBondContact O-CB 3.29Å; K20-K24 PolarHBondContact O-N 3.29Å; K20-K24 VanDerWaalsContact O-N 3.08Å
21Q98.3Very high97.9Very high114 Ų114108.7 Ų108.753%0.53354%0.536SS..Hα-helixtrans-69.1-42.6175.2177.7168-33.600111.6V17 K18 E19 K24 Q25V17-Q21 PolarHBondContact O-N 3.03Å; V17-Q21 VanDerWaalsContact O-N 3.1Å; K18-Q21 WeakPolarHBondContact O-CA 3.26Å; K18-Q21 WeakPolarHBondContact O-CB 3.48Å; K18-Q21 PolarHBondContact O-N 3.16Å; E19-Q21 VanDerWaalsContact C-N 3.28Å; E19-Q21 PolarHBondContact O-N 2.73Å; Q21-K24 WeakPolarHBondContact O-CB 3.28Å; Q21-K24 PolarHBondContact O-N 3.45Å; Q21-Q25 WeakPolarHBondContact O-CG 3.35Å; Q21-Q25 PolarHBondContact O-N 3.06Å
22D98.2Very high98Very high76 Ų76108.4 Ų108.441%0.40654%0.536SS..Hα-helixtrans-64.7-44.3178.1-65.8-14.3000111.4K18 E19 K24 Q25 K26K18-D22 PolarHBondContact O-N 2.93Å; E19-D22 PolarHBondContact O-N 2.85Å; E19-D22 VanDerWaalsContact O-N 3.16Å; D22-K24 VanDerWaalsContact C-N 3.31Å; D22-K24 PolarHBondContact O-N 2.93Å; D22-Q25 PolarHBondContact O-N 3.14Å; D22-Q25 VanDerWaalsContact O-N 3.14Å; D22-K26 WeakPolarHBondContact O-CG 3.16Å; D22-K26 PolarHBondContact O-N 3.22Å
23Y98.3Very high98Very high150 Ų150111.3 Ų111.359%0.58854%0.541SS*.Hα-helixtrans-61.6-38.1173-72.8-59.9000112.1E19 Q25 K26 L27E19-Y23 HydrophobicContact CB-CD2 4.35Å; E19-Y23 HydrophobicContact CB-CE2 4.16Å; E19-Y23 WeakPolarHBondContact O-CD2 3.5Å; E19-Y23 PolarHBondContact O-N 3.08Å; Y23-Q25 VanDerWaalsContact C-N 3.31Å; Y23-Q25 PolarHBondContact O-N 3.36Å; Y23-K26 HydrophobicContact CD1-CD 4.41Å; Y23-K26 PolarHBondContact O-N 3.46Å; Y23-L27 VanDerWaalsContact O-CB 3.32Å; Y23-L27 WeakPolarHBondContact O-CB 3.47Å; Y23-L27 PolarHBondContact O-N 3.01Å
24K98.3Very high98.1Very high139 Ų139109.9 Ų109.960%0.60454%0.541SS*.Hα-helixtrans-64.5-33.9173.9-175.1179.9-177.7-179.70112.3K20 Q21 D22 K28K20-K24 WeakPolarHBondContact O-CB 3.29Å; K20-K24 PolarHBondContact O-N 3.29Å; K20-K24 VanDerWaalsContact O-N 3.08Å; Q21-K24 WeakPolarHBondContact O-CB 3.28Å; Q21-K24 PolarHBondContact O-N 3.45Å; D22-K24 VanDerWaalsContact C-N 3.31Å; D22-K24 PolarHBondContact O-N 2.93Å; K24-K28 WeakPolarHBondContact O-CG 3.16Å; K24-K28 PolarHBondContact O-N 2.95Å
25Q98.5Very high98.2Very high112 Ų112110.5 Ų110.552%0.52354%0.542SS..Hα-helixtrans-74-46.1174-69.8-1791.800111.7Q21 D22 Y23 L27 K28 A29Q21-Q25 WeakPolarHBondContact O-CG 3.35Å; Q21-Q25 PolarHBondContact O-N 3.06Å; D22-Q25 PolarHBondContact O-N 3.14Å; D22-Q25 VanDerWaalsContact O-N 3.14Å; Y23-Q25 VanDerWaalsContact C-N 3.31Å; Y23-Q25 PolarHBondContact O-N 3.36Å; Q25-L27 VanDerWaalsContact C-N 3.32Å; Q25-L27 PolarHBondContact O-N 3.48Å; Q25-K28 WeakPolarHBondContact O-CB 3.42Å; Q25-K28 PolarHBondContact O-N 3.27Å; Q25-A29 PolarHBondContact O-N 3.28Å
26K98.4Very high98.3Very high123 Ų123113.4 Ų113.454%0.53555%0.547SS..Hα-helixtrans-56.5-43.4174.8-71.5170.4-178173.70112D22 Y23 K28 A29 L30D22-K26 WeakPolarHBondContact O-CG 3.16Å; D22-K26 PolarHBondContact O-N 3.22Å; Y23-K26 HydrophobicContact CD1-CD 4.41Å; Y23-K26 PolarHBondContact O-N 3.46Å; K26-K28 VanDerWaalsContact C-N 3.32Å; K26-K28 PolarHBondContact O-N 2.96Å; K26-A29 PolarHBondContact O-N 3.47Å; K26-L30 WeakPolarHBondContact O-CG 3.49Å; K26-L30 PolarHBondContact O-N 2.88Å
27L98.3Very high98.4Very high124 Ų124113.1 Ų113.165%0.64955%0.546SS*.Hα-helixtrans-62.4-36.5175.9-178.462.7000112.7Y23 Q25 K31Y23-L27 VanDerWaalsContact O-CB 3.32Å; Y23-L27 WeakPolarHBondContact O-CB 3.47Å; Y23-L27 PolarHBondContact O-N 3.01Å; Q25-L27 VanDerWaalsContact C-N 3.32Å; Q25-L27 PolarHBondContact O-N 3.48Å; L27-K31 WeakPolarHBondContact O-CB 3.42Å; L27-K31 PolarHBondContact O-N 2.99Å
28K98.6Very high98.4Very high135 Ų135116.6 Ų116.659%0.58756%0.555SS**Hα-helixtrans-66.8-43.7173.8-73.9176.6173.9-167.30111.7K24 Q25 K26 K31 I32K24-K28 WeakPolarHBondContact O-CG 3.16Å; K24-K28 PolarHBondContact O-N 2.95Å; Q25-K28 WeakPolarHBondContact O-CB 3.42Å; Q25-K28 PolarHBondContact O-N 3.27Å; K26-K28 VanDerWaalsContact C-N 3.32Å; K26-K28 PolarHBondContact O-N 2.96Å; K28-K31 PolarHBondContact O-N 3.31Å; K28-I32 WeakPolarHBondContact O-CG1 3.39Å; K28-I32 PolarHBondContact O-N 2.86Å; K28-I32 VanDerWaalsContact O-N 3.14Å
29A98.6Very high98.4Very high57 Ų57116.6 Ų116.647%0.47156%0.557SS.*Hα-helixtrans-61.4-50.8177.500000111.2Q25 K26 K31 I32 E33Q25-A29 PolarHBondContact O-N 3.28Å; K26-A29 PolarHBondContact O-N 3.47Å; A29-K31 VanDerWaalsContact C-N 3.28Å; A29-K31 PolarHBondContact O-N 3.02Å; A29-I32 WeakPolarHBondContact O-CB 3.42Å; A29-I32 PolarHBondContact O-N 3.07Å; A29-E33 PolarHBondContact O-N 3.04Å
30L98.6Very high98.5Very high97 Ų97114.4 Ų114.451%0.50855%0.548SS..Hα-helixtrans-58.6-37.1175.9-71.8170.8000112.5K26 I32 E33 V34K26-L30 WeakPolarHBondContact O-CG 3.49Å; K26-L30 PolarHBondContact O-N 2.88Å; L30-I32 VanDerWaalsContact C-N 3.35Å; L30-I32 PolarHBondContact O-N 3.27Å; L30-E33 PolarHBondContact O-N 3.3Å; L30-V34 WeakPolarHBondContact O-CB 3.36Å; L30-V34 VanDerWaalsContact O-CG2 3.29Å; L30-V34 WeakPolarHBondContact O-CG2 3.43Å; L30-V34 PolarHBondContact O-N 3.46Å
31K98.6Very high98.5Very high142 Ų142112.4 Ų112.462%0.61754%0.544SS*.Hα-helixtrans-65.1-37.2175.7-174.5174.3-179.6178.30112.6L27 K28 A29 N35L27-K31 WeakPolarHBondContact O-CB 3.42Å; L27-K31 PolarHBondContact O-N 2.99Å; K28-K31 PolarHBondContact O-N 3.31Å; A29-K31 VanDerWaalsContact C-N 3.28Å; A29-K31 PolarHBondContact O-N 3.02Å; K31-N35 VanDerWaalsContact O-CG 3.31Å; K31-N35 PolarHBondContact O-N 2.91Å; K31-N35 VanDerWaalsContact O-N 3.15Å
32I98.6Very high98.5Very high119 Ų119112 Ų11261%0.6155%0.546SS*.Hα-helixtrans-68.7-43.9175.2-65.7163.6000109.9K28 A29 L30 N35 K36K28-I32 WeakPolarHBondContact O-CG1 3.39Å; K28-I32 PolarHBondContact O-N 2.86Å; K28-I32 VanDerWaalsContact O-N 3.14Å; A29-I32 WeakPolarHBondContact O-CB 3.42Å; A29-I32 PolarHBondContact O-N 3.07Å; L30-I32 VanDerWaalsContact C-N 3.35Å; L30-I32 PolarHBondContact O-N 3.27Å; I32-N35 PolarHBondContact O-N 3.26Å; I32-K36 PolarHBondContact O-N 3.4Å
33E98.6Very high98.6Very high111 Ų111114 Ų11452%0.51955%0.553SS.*Hα-helixtrans-62-44.2177.6-173.5172-157.400112.3A29 L30 N35 K36 L37A29-E33 PolarHBondContact O-N 3.04Å; L30-E33 PolarHBondContact O-N 3.3Å; E33-N35 VanDerWaalsContact C-N 3.34Å; E33-N35 PolarHBondContact O-N 2.99Å; E33-K36 PolarHBondContact O-N 3.4Å; E33-L37 HydrophobicContact CG-CD1 4.19Å; E33-L37 WeakPolarHBondContact O-CB 3.3Å; E33-L37 WeakPolarHBondContact O-CG 3.44Å; E33-L37 PolarHBondContact O-N 2.93Å
34V98.7Very high98.6Very high94 Ų94112.5 Ų112.557%0.5755%0.549SS*.Hα-helixtrans-61.7-39.7174.3167.40000112L30 K38L30-V34 WeakPolarHBondContact O-CB 3.36Å; L30-V34 VanDerWaalsContact O-CG2 3.29Å; L30-V34 WeakPolarHBondContact O-CG2 3.43Å; L30-V34 PolarHBondContact O-N 3.46Å; V34-K38 WeakPolarHBondContact O-CB 3.45Å; V34-K38 PolarHBondContact O-N 2.93Å; V34-K38 VanDerWaalsContact O-N 3.09Å
35N98.6Very high98.6Very high82 Ų82109.2 Ų109.244%0.43954%0.541SS..Hα-helixtrans-64.5-46.3175-76.4-4.3000111.2K31 I32 E33 K38 E39K31-N35 VanDerWaalsContact O-CG 3.31Å; K31-N35 PolarHBondContact O-N 2.91Å; K31-N35 VanDerWaalsContact O-N 3.15Å; I32-N35 PolarHBondContact O-N 3.26Å; E33-N35 VanDerWaalsContact C-N 3.34Å; E33-N35 PolarHBondContact O-N 2.99Å; N35-K38 WeakPolarHBondContact O-CB 3.37Å; N35-K38 PolarHBondContact O-N 3.4Å; N35-K38 VanDerWaalsContact O-N 3.16Å; N35-E39 PolarHBondContact O-N 3Å
36K98.8Very high98.6Very high123 Ų123106.9 Ų106.954%0.53553%0.534SS..Hα-helixtrans-58.8-50176.6-172.3-166.3170-170.70111.4I32 E33 K38 E39 D40I32-K36 PolarHBondContact O-N 3.4Å; E33-K36 PolarHBondContact O-N 3.4Å; K36-K38 PolarHBondContact O-N 3.37Å; K36-E39 WeakPolarHBondContact O-CA 3.38Å; K36-E39 WeakPolarHBondContact O-CB 3.44Å; K36-E39 PolarHBondContact O-N 3.42Å; K36-D40 WeakPolarHBondContact CE-OD2 3.32Å; K36-D40 VanDerWaalsContact O-CG 3.28Å; K36-D40 PolarHBondContact O-N 3.21Å
37L98.8Very high98.6Very high102 Ų102104.1 Ų104.153%0.53452%0.523SS..Hα-helixtrans-61-28.5178.9-70.2172.7000112.7E33 L41E33-L37 HydrophobicContact CG-CD1 4.19Å; E33-L37 WeakPolarHBondContact O-CB 3.3Å; E33-L37 WeakPolarHBondContact O-CG 3.44Å; E33-L37 PolarHBondContact O-N 2.93Å; L37-L41 WeakPolarHBondContact O-CB 3.34Å; L37-L41 PolarHBondContact O-N 2.87Å
38K98.8Very high98.7Very high155 Ų155101.1 Ų101.167%0.67451%0.508SS*.Hα-helixtrans-72.7-39.1173-174.1-172.6175.3-169.60112.1V34 N35 K36 N42V34-K38 WeakPolarHBondContact O-CB 3.45Å; V34-K38 PolarHBondContact O-N 2.93Å; V34-K38 VanDerWaalsContact O-N 3.09Å; N35-K38 WeakPolarHBondContact O-CB 3.37Å; N35-K38 PolarHBondContact O-N 3.4Å; N35-K38 VanDerWaalsContact O-N 3.16Å; K36-K38 PolarHBondContact O-N 3.37Å; K38-N42 WeakPolarHBondContact O-CB 3.38Å; K38-N42 PolarHBondContact O-N 2.96Å
39E98.6Very high98.7Very high132 Ų13298.7 Ų98.762%0.61750%0.502SS*.Hα-helixtrans-65.8-50.5174.1-71.3163.3-167.900110.5N35 K36 L41 N42 E43N35-E39 PolarHBondContact O-N 3Å; K36-E39 WeakPolarHBondContact O-CA 3.38Å; K36-E39 WeakPolarHBondContact O-CB 3.44Å; K36-E39 PolarHBondContact O-N 3.42Å; E39-L41 VanDerWaalsContact C-N 3.31Å; E39-L41 PolarHBondContact O-N 3.46Å; E39-N42 WeakPolarHBondContact O-CB 3.46Å; E39-N42 PolarHBondContact O-N 3.5Å; E39-E43 PolarHBondContact O-N 2.95Å
40D98.8Very high98.7Very high58 Ų58101.6 Ų101.631%0.3151%0.505SS..Hα-helixtrans-54.9-43.9175.1-63.5-14.9000111.2K36 K44K36-D40 WeakPolarHBondContact CE-OD2 3.32Å; K36-D40 VanDerWaalsContact O-CG 3.28Å; K36-D40 PolarHBondContact O-N 3.21Å; D40-K44 WeakPolarHBondContact O-CB 3.49Å; D40-K44 VanDerWaalsContact O-CG 3.3Å; D40-K44 WeakPolarHBondContact O-CG 3.14Å; D40-K44 PolarHBondContact O-N 3.4Å
41L98.6Very high98.7Very high115 Ų115101.2 Ų101.260%0.60250%0.501SS*.Hα-helixtrans-65.9-38.4176.9177.862.9000112.5L37 E39 T45L37-L41 WeakPolarHBondContact O-CB 3.34Å; L37-L41 PolarHBondContact O-N 2.87Å; E39-L41 VanDerWaalsContact C-N 3.31Å; E39-L41 PolarHBondContact O-N 3.46Å; L41-T45 WeakPolarHBondContact O-CB 3.45Å; L41-T45 PolarHBondContact O-N 3.21Å; L41-T45 PolarHBondContact O-OG1 3.4Å
42N98.6Very high98.7Very high107 Ų107101.4 Ų101.457%0.57250%0.498SS*.Hα-helixtrans-67.5-45.4177.7-176.290.2000111K38 E39 T45 T46K38-N42 WeakPolarHBondContact O-CB 3.38Å; K38-N42 PolarHBondContact O-N 2.96Å; E39-N42 WeakPolarHBondContact O-CB 3.46Å; E39-N42 PolarHBondContact O-N 3.5Å; N42-T45 WeakPolarHBondContact O-CB 3.46Å; N42-T45 PolarHBondContact O-N 3.03Å; N42-T45 VanDerWaalsContact O-N 3.1Å; N42-T46 PolarHBondContact O-N 2.77Å; N42-T46 PolarHBondContact O-OG1 3.28Å
43E98.7Very high98.7Very high117 Ų117101 Ų10155%0.54749%0.493SS..Hα-helixtrans-58.4-46.5174.5-176.4-176.1-160.500111.6E39 T45 T46 E47E39-E43 PolarHBondContact O-N 2.95Å; E43-T45 PolarHBondContact O-N 3.39Å; E43-T46 PolarHBondContact O-N 2.95Å; E43-T46 PolarHBondContact O-OG1 3.46Å; E43-E47 WeakPolarHBondContact O-CB 3.41Å; E43-E47 PolarHBondContact O-N 3.45Å
44K98.8Very high98.7Very high118 Ų11899.3 Ų99.351%0.51349%0.486SS..Hα-helixtrans-65.8-25.8176.1-67-68.3154-157.60113.1D40 E47 N48D40-K44 WeakPolarHBondContact O-CB 3.49Å; D40-K44 VanDerWaalsContact O-CG 3.3Å; D40-K44 WeakPolarHBondContact O-CG 3.14Å; D40-K44 PolarHBondContact O-N 3.4Å; K44-E47 WeakPolarHBondContact CD-OE2 3.34Å; K44-E47 IonicContact NZ-OE2 2.7Å; K44-E47 PolarHBondContact NZ-OE2 2.93Å; K44-N48 WeakPolarHBondContact O-CB 3.48Å; K44-N48 PolarHBondContact O-N 3.31Å; K44-N48 VanDerWaalsContact O-N 3.1Å
45T98.7Very high98.7Very high71 Ų7199.1 Ų99.144%0.43648%0.48SS..Hα-helixtrans-72.3-42.6173.1-57.50000111.2L41 N42 E43 N48 N49L41-T45 WeakPolarHBondContact O-CB 3.45Å; L41-T45 PolarHBondContact O-N 3.21Å; L41-T45 PolarHBondContact O-OG1 3.4Å; N42-T45 WeakPolarHBondContact O-CB 3.46Å; N42-T45 PolarHBondContact O-N 3.03Å; N42-T45 VanDerWaalsContact O-N 3.1Å; E43-T45 PolarHBondContact O-N 3.39Å; T45-N48 PolarHBondContact O-N 3.39Å; T45-N49 PolarHBondContact O-N 2.83Å; T45-N49 PolarHBondContact O-ND2 3.17Å
46T98.6Very high98.7Very high62 Ų6299.7 Ų99.738%0.3848%0.482SS..Hα-helixtrans-67.9-44.9176.149.10000111.8N42 E43 N48 N49 E50N42-T46 PolarHBondContact O-N 2.77Å; N42-T46 PolarHBondContact O-OG1 3.28Å; E43-T46 PolarHBondContact O-N 2.95Å; E43-T46 PolarHBondContact O-OG1 3.46Å; T46-N48 VanDerWaalsContact C-N 3.3Å; T46-N48 PolarHBondContact O-N 2.84Å; T46-N49 WeakPolarHBondContact O-CB 3.38Å; T46-N49 PolarHBondContact O-N 2.94Å; T46-E50 PolarHBondContact O-N 2.89Å
47E98.7Very high98.7Very high65 Ų6599.5 Ų99.530%0.30448%0.478SS..Hα-helixtrans-58.9-40.4175.8-169.6-166.6162.700111.6E43 K44 N49 E50 Q51E43-E47 WeakPolarHBondContact O-CB 3.41Å; E43-E47 PolarHBondContact O-N 3.45Å; K44-E47 WeakPolarHBondContact CD-OE2 3.34Å; K44-E47 IonicContact NZ-OE2 2.7Å; K44-E47 PolarHBondContact NZ-OE2 2.93Å; E47-N49 VanDerWaalsContact C-N 3.29Å; E47-N49 PolarHBondContact O-N 3.12Å; E47-E50 PolarHBondContact O-N 3.37Å; E47-Q51 WeakPolarHBondContact O-CB 3.35Å; E47-Q51 VanDerWaalsContact O-CG 3.23Å; E47-Q51 WeakPolarHBondContact O-CG 3.48Å; E47-Q51 PolarHBondContact O-N 3.08Å; E47-Q51 PolarHBondContact OE1-NE2 3.47Å
48N98.7Very high98.7Very high62 Ų6298.6 Ų98.633%0.33247%0.474SS..Hα-helixtrans-65.5-32.1177.1-167.1-112.7000112.9K44 T45 T46 R52K44-N48 WeakPolarHBondContact O-CB 3.48Å; K44-N48 PolarHBondContact O-N 3.31Å; K44-N48 VanDerWaalsContact O-N 3.1Å; T45-N48 PolarHBondContact O-N 3.39Å; T46-N48 VanDerWaalsContact C-N 3.3Å; T46-N48 PolarHBondContact O-N 2.84Å; N48-R52 WeakPolarHBondContact O-CD 3.38Å; N48-R52 VanDerWaalsContact O-CG 3.23Å; N48-R52 WeakPolarHBondContact O-CG 3.42Å; N48-R52 PolarHBondContact O-N 3.46Å; N48-R52 VanDerWaalsContact O-N 3.17Å; N48-R52 PolarHBondContact OD1-NE 3.38Å; N48-R52 PolarHBondContact OD1-NH2 3.44Å; N48-R52 VanDerWaalsContact OD1-NH2 3.09Å
49N98.6Very high98.7Very high83 Ų8398 Ų9844%0.44447%0.471SS..Hα-helixtrans-71-46.3175.5-67.3-28.9000110.9T45 T46 E47 Q51 R52 E53T45-N49 PolarHBondContact O-N 2.83Å; T45-N49 PolarHBondContact O-ND2 3.17Å; T46-N49 WeakPolarHBondContact O-CB 3.38Å; T46-N49 PolarHBondContact O-N 2.94Å; E47-N49 VanDerWaalsContact C-N 3.29Å; E47-N49 PolarHBondContact O-N 3.12Å; N49-Q51 VanDerWaalsContact C-N 3.33Å; N49-Q51 PolarHBondContact O-N 2.93Å; N49-R52 WeakPolarHBondContact O-CB 3.44Å; N49-R52 PolarHBondContact O-N 2.89Å; N49-E53 PolarHBondContact O-N 3.15Å
50E98.7Very high98.7Very high118 Ų11897.9 Ų97.955%0.55147%0.471SS*.Hα-helixtrans-58-43.5175.5-68.9170.2-168.300112T46 E47 R52 E53 E54T46-E50 PolarHBondContact O-N 2.89Å; E47-E50 PolarHBondContact O-N 3.37Å; E50-R52 VanDerWaalsContact C-N 3.32Å; E50-R52 PolarHBondContact O-N 3.23Å; E50-E53 PolarHBondContact O-N 3.38Å; E50-E54 PolarHBondContact O-N 2.97Å
51Q98.8Very high98.7Very high89 Ų89100.3 Ų100.342%0.41648%0.48SS..Hα-helixtrans-61.1-38174.4-73171.12.200112.5E47 N49 I55E47-Q51 WeakPolarHBondContact O-CB 3.35Å; E47-Q51 VanDerWaalsContact O-CG 3.23Å; E47-Q51 WeakPolarHBondContact O-CG 3.48Å; E47-Q51 PolarHBondContact O-N 3.08Å; E47-Q51 PolarHBondContact OE1-NE2 3.47Å; N49-Q51 VanDerWaalsContact C-N 3.33Å; N49-Q51 PolarHBondContact O-N 2.93Å; Q51-I55 WeakPolarHBondContact O-CB 3.37Å; Q51-I55 WeakPolarHBondContact O-CD1 3.41Å; Q51-I55 VanDerWaalsContact O-CG1 3.23Å; Q51-I55 WeakPolarHBondContact O-CG1 3.3Å; Q51-I55 PolarHBondContact O-N 3.32Å
52R98.8Very high98.7Very high147 Ų147102.5 Ų102.556%0.55549%0.485SS*.Hα-helixtrans-67.1-42.1175.8-73.5165.4-173-85.9-1.9111.7N48 N49 E50 I55 I56N48-R52 WeakPolarHBondContact O-CD 3.38Å; N48-R52 VanDerWaalsContact O-CG 3.23Å; N48-R52 WeakPolarHBondContact O-CG 3.42Å; N48-R52 PolarHBondContact O-N 3.46Å; N48-R52 VanDerWaalsContact O-N 3.17Å; N48-R52 PolarHBondContact OD1-NE 3.38Å; N48-R52 PolarHBondContact OD1-NH2 3.44Å; N48-R52 VanDerWaalsContact OD1-NH2 3.09Å; N49-R52 WeakPolarHBondContact O-CB 3.44Å; N49-R52 PolarHBondContact O-N 2.89Å; E50-R52 VanDerWaalsContact C-N 3.32Å; E50-R52 PolarHBondContact O-N 3.23Å; R52-I55 PolarHBondContact O-N 3.33Å; R52-I56 VanDerWaalsContact O-CG1 3.29Å; R52-I56 WeakPolarHBondContact O-CG1 3.26Å; R52-I56 PolarHBondContact O-N 3.13Å
53E98.6Very high98.7Very high109 Ų109100.5 Ų100.551%0.50948%0.479SS..Hα-helixtrans-63.4-42.7175.9-68.4-176.3177.700111.8N49 E50 I56 R57N49-E53 PolarHBondContact O-N 3.15Å; E50-E53 PolarHBondContact O-N 3.38Å; E53-I56 WeakPolarHBondContact O-CB 3.5Å; E53-I56 PolarHBondContact O-N 2.97Å; E53-I56 VanDerWaalsContact O-N 3.1Å; E53-R57 PolarHBondContact O-N 2.99Å; E53-R57 IonicContact OE2-NH1 3.53Å
54E98.7Very high98.7Very high77 Ų7798.8 Ų98.836%0.3648%0.479SS..Hα-helixtrans-63-43.2176.2-175.658.5-163.800111.8E50 I56 R57 L58E50-E54 PolarHBondContact O-N 2.97Å; E54-I56 PolarHBondContact O-N 3.15Å; E54-R57 PolarHBondContact O-N 3.36Å; E54-R57 IonicContact OE2-CZ 2.97Å; E54-R57 IonicContact OE2-NE 3.71Å; E54-R57 PolarHBondContact OE2-NE 3.4Å; E54-R57 IonicContact OE2-NH2 2.71Å; E54-R57 PolarHBondContact OE2-NH2 3.38Å; E54-L58 HydrophobicContact CG-CD1 3.91Å; E54-L58 HydrophobicContact CG-CG 4.31Å; E54-L58 WeakPolarHBondContact O-CB 3.36Å; E54-L58 WeakPolarHBondContact O-CG 3.46Å; E54-L58 PolarHBondContact O-N 3.47Å; E54-L58 WeakPolarHBondContact OE1-CG 3.35Å
55I98.8Very high98.7Very high90 Ų9097.5 Ų97.546%0.46248%0.477SS..Hα-helixtrans-59.4-34.5173-71.5165000111.7Q51 R52 K59Q51-I55 WeakPolarHBondContact O-CB 3.37Å; Q51-I55 WeakPolarHBondContact O-CD1 3.41Å; Q51-I55 VanDerWaalsContact O-CG1 3.23Å; Q51-I55 WeakPolarHBondContact O-CG1 3.3Å; Q51-I55 PolarHBondContact O-N 3.32Å; R52-I55 PolarHBondContact O-N 3.33Å; I55-K59 HydrophobicContact CG2-CD 4.15Å; I55-K59 WeakPolarHBondContact O-CB 3.32Å; I55-K59 WeakPolarHBondContact O-CD 3.47Å; I55-K59 WeakPolarHBondContact O-CG 3.43Å; I55-K59 PolarHBondContact O-N 3.31Å
56I98.8Very high98.7Very high93 Ų9399.8 Ų99.848%0.47748%0.483SS..Hα-helixtrans-70.8-46.7175.9-69162.9000110.7R52 E53 E54 K59 Q60R52-I56 VanDerWaalsContact O-CG1 3.29Å; R52-I56 WeakPolarHBondContact O-CG1 3.26Å; R52-I56 PolarHBondContact O-N 3.13Å; E53-I56 WeakPolarHBondContact O-CB 3.5Å; E53-I56 PolarHBondContact O-N 2.97Å; E53-I56 VanDerWaalsContact O-N 3.1Å; E54-I56 PolarHBondContact O-N 3.15Å; I56-K59 PolarHBondContact O-N 2.94Å; I56-Q60 WeakPolarHBondContact O-CG 3.28Å; I56-Q60 PolarHBondContact O-N 2.88Å; I56-Q60 VanDerWaalsContact O-N 3.08Å
57R98.9Very high98.7Very high119 Ų119100.3 Ų100.345%0.44948%0.483SS..Hα-helixtrans-57.6-52.5176.3-72.2-172.2-68.9-98.25.3111.6E53 E54 K59 Q60 E61E53-R57 PolarHBondContact O-N 2.99Å; E53-R57 IonicContact OE2-NH1 3.53Å; E54-R57 PolarHBondContact O-N 3.36Å; E54-R57 IonicContact OE2-CZ 2.97Å; E54-R57 IonicContact OE2-NE 3.71Å; E54-R57 PolarHBondContact OE2-NE 3.4Å; E54-R57 IonicContact OE2-NH2 2.71Å; E54-R57 PolarHBondContact OE2-NH2 3.38Å; R57-K59 VanDerWaalsContact C-N 3.27Å; R57-K59 PolarHBondContact O-N 3.33Å; R57-Q60 WeakPolarHBondContact O-CB 3.48Å; R57-Q60 PolarHBondContact O-N 3.49Å; R57-E61 PolarHBondContact O-N 3.27Å
58L98.8Very high98.7Very high84 Ų84102.7 Ų102.744%0.4450%0.495SS..Hα-helixtrans-61.6-32.8179.5-68.2172.3000112.8E54 K62E54-L58 HydrophobicContact CG-CD1 3.91Å; E54-L58 HydrophobicContact CG-CG 4.31Å; E54-L58 WeakPolarHBondContact O-CB 3.36Å; E54-L58 WeakPolarHBondContact O-CG 3.46Å; E54-L58 PolarHBondContact O-N 3.47Å; E54-L58 WeakPolarHBondContact OE1-CG 3.35Å; L58-K62 WeakPolarHBondContact O-CB 3.44Å; L58-K62 PolarHBondContact O-N 2.91Å
59K98.8Very high98.7Very high143 Ų143104.9 Ų104.962%0.62251%0.506SS*.Hα-helixtrans-67.5-40173-80.7172.4179.9178.70112.4I55 I56 R57 S63I55-K59 HydrophobicContact CG2-CD 4.15Å; I55-K59 WeakPolarHBondContact O-CB 3.32Å; I55-K59 WeakPolarHBondContact O-CD 3.47Å; I55-K59 WeakPolarHBondContact O-CG 3.43Å; I55-K59 PolarHBondContact O-N 3.31Å; I56-K59 PolarHBondContact O-N 2.94Å; R57-K59 VanDerWaalsContact C-N 3.27Å; R57-K59 PolarHBondContact O-N 3.33Å; K59-S63 PolarHBondContact O-N 3.01Å; K59-S63 VanDerWaalsContact O-N 3.15Å
60Q98.8Very high98.7Very high129 Ų129105.8 Ų105.860%0.60351%0.51SS*.Hα-helixtrans-67.9-46.1177-69.3169.2-10.900111.1I56 R57 S63 C64I56-Q60 WeakPolarHBondContact O-CG 3.28Å; I56-Q60 PolarHBondContact O-N 2.88Å; I56-Q60 VanDerWaalsContact O-N 3.08Å; R57-Q60 WeakPolarHBondContact O-CB 3.48Å; R57-Q60 PolarHBondContact O-N 3.49Å; Q60-S63 WeakPolarHBondContact O-CB 3.46Å; Q60-S63 PolarHBondContact O-N 2.83Å; Q60-S63 VanDerWaalsContact O-N 3.15Å; Q60-C64 PolarHBondContact O-N 2.9Å
61E98.6Very high98.7Very high109 Ų109106.8 Ų106.851%0.50951%0.513SS..Hα-helixtrans-59.5-47.9175.5-175.2-179.3-17900111.5R57 S63 C64 L65R57-E61 PolarHBondContact O-N 3.27Å; E61-S63 PolarHBondContact O-N 3.35Å; E61-C64 WeakPolarHBondContact O-CB 3.46Å; E61-C64 PolarHBondContact O-N 3.33Å; E61-C64 VanDerWaalsContact O-N 3.08Å; E61-L65 HydrophobicContact CG-CD1 3.96Å; E61-L65 HydrophobicContact CG-CG 4.34Å; E61-L65 WeakPolarHBondContact O-CG 3.42Å; E61-L65 PolarHBondContact O-N 3.2Å
62K98.6Very high98.7Very high161 Ų161105.1 Ų105.170%0.751%0.508SS*.Hα-helixtrans-55.2-39.5174.6-179.7-176.9174.9-176.30112.4L58 H66L58-K62 WeakPolarHBondContact O-CB 3.44Å; L58-K62 PolarHBondContact O-N 2.91Å; K62-H66 WeakPolarHBondContact O-CB 3.21Å; K62-H66 PolarHBondContact O-N 2.85Å; K62-H66 VanDerWaalsContact O-N 3.08Å
63S98.7Very high98.7Very high65 Ų65102.6 Ų102.646%0.45551%0.509SS..Hα-helixtrans-65.9-46.3176.3-161.60000111.2K59 Q60 E61 L65 H66 D67K59-S63 PolarHBondContact O-N 3.01Å; K59-S63 VanDerWaalsContact O-N 3.15Å; Q60-S63 WeakPolarHBondContact O-CB 3.46Å; Q60-S63 PolarHBondContact O-N 2.83Å; Q60-S63 VanDerWaalsContact O-N 3.15Å; E61-S63 PolarHBondContact O-N 3.35Å; S63-L65 PolarHBondContact O-N 2.98Å; S63-H66 WeakPolarHBondContact O-CB 3.48Å; S63-H66 PolarHBondContact O-N 3.05Å; S63-D67 PolarHBondContact O-N 2.95Å
64C98.6Very high98.7Very high81 Ų81100.2 Ų100.255%0.54750%0.498SS..Hα-helixtrans-61.3-45.5179.6-171.60000112.2Q60 E61 H66 D67 E68Q60-C64 PolarHBondContact O-N 2.9Å; E61-C64 WeakPolarHBondContact O-CB 3.46Å; E61-C64 PolarHBondContact O-N 3.33Å; E61-C64 VanDerWaalsContact O-N 3.08Å; C64-H66 VanDerWaalsContact C-N 3.29Å; C64-H66 PolarHBondContact O-N 2.87Å; C64-D67 PolarHBondContact O-N 3.49Å; C64-E68 PolarHBondContact O-N 3.24Å
65L98.7Very high98.7Very high91 Ų91102.7 Ų102.748%0.47650%0.504SS..Hα-helixtrans-65.1-31.8176-67.4173.5000112.6E61 S63 L69E61-L65 HydrophobicContact CG-CD1 3.96Å; E61-L65 HydrophobicContact CG-CG 4.34Å; E61-L65 WeakPolarHBondContact O-CG 3.42Å; E61-L65 PolarHBondContact O-N 3.2Å; S63-L65 PolarHBondContact O-N 2.98Å; L65-L69 WeakPolarHBondContact O-CB 3.37Å; L65-L69 PolarHBondContact O-N 3.28Å
66H98.7Very high98.6Very high118 Ų118102.5 Ų102.555%0.54650%0.501SS..Hα-helixtrans-67-43.7174.4-17664.5000111.7K62 S63 C64 L69 L70K62-H66 WeakPolarHBondContact O-CB 3.21Å; K62-H66 PolarHBondContact O-N 2.85Å; K62-H66 VanDerWaalsContact O-N 3.08Å; S63-H66 WeakPolarHBondContact O-CB 3.48Å; S63-H66 PolarHBondContact O-N 3.05Å; C64-H66 VanDerWaalsContact C-N 3.29Å; C64-H66 PolarHBondContact O-N 2.87Å; H66-L69 PolarHBondContact O-N 3.45Å; H66-L70 WeakPolarHBondContact O-CB 3.37Å; H66-L70 PolarHBondContact O-N 3.07Å
67D98.5Very high98.6Very high73 Ų73102.8 Ų102.839%0.3950%0.499SS..Hα-helixtrans-65-41.8176.1-63.9-29.7000111.3S63 C64 L69 L70 F71S63-D67 PolarHBondContact O-N 2.95Å; C64-D67 PolarHBondContact O-N 3.49Å; D67-L69 PolarHBondContact O-N 3.29Å; D67-L70 WeakPolarHBondContact O-CB 3.34Å; D67-L70 PolarHBondContact O-N 2.65Å; D67-F71 HydrophobicContact CB-CE2 4.26Å; D67-F71 WeakPolarHBondContact O-CD2 3.2Å; D67-F71 WeakPolarHBondContact O-CG 3.35Å; D67-F71 PolarHBondContact O-N 2.9Å
68E98.4Very high98.6Very high116 Ų116103.5 Ų103.554%0.54250%0.502SS..Hα-helixtrans-61.7-41175.4-177173.1-170.800112.7C64 F71 T72C64-E68 PolarHBondContact O-N 3.24Å; E68-F71 PolarHBondContact O-N 3.47Å; E68-T72 WeakPolarHBondContact O-CB 3.21Å; E68-T72 PolarHBondContact O-N 2.78Å; E68-T72 PolarHBondContact O-OG1 3.26Å
69L98.6Very high98.6Very high108 Ų108104.4 Ų104.457%0.56550%0.502SS*.Hα-helixtrans-63.9-44.4174.3-178.762.2000111.1L65 H66 D67 F71 T72 V73L65-L69 WeakPolarHBondContact O-CB 3.37Å; L65-L69 PolarHBondContact O-N 3.28Å; H66-L69 PolarHBondContact O-N 3.45Å; D67-L69 PolarHBondContact O-N 3.29Å; L69-F71 PolarHBondContact O-N 3.14Å; L69-T72 PolarHBondContact O-N 3.33Å; L69-T72 VanDerWaalsContact O-N 3.12Å; L69-V73 WeakPolarHBondContact O-CG2 3.2Å; L69-V73 PolarHBondContact O-N 3.39Å
70L98.6Very high98.6Very high101 Ų101101.6 Ų101.653%0.52949%0.494SS..Hα-helixtrans-59-47.4176.7-177.867.6000111.5H66 D67 T72 V73 E74H66-L70 WeakPolarHBondContact O-CB 3.37Å; H66-L70 PolarHBondContact O-N 3.07Å; D67-L70 WeakPolarHBondContact O-CB 3.34Å; D67-L70 PolarHBondContact O-N 2.65Å; L70-T72 VanDerWaalsContact C-N 3.26Å; L70-T72 PolarHBondContact O-N 3.42Å; L70-V73 PolarHBondContact O-N 2.94Å; L70-E74 PolarHBondContact O-N 3.29Å
71F98.6Very high98.6Very high140 Ų14099.9 Ų99.961%0.61449%0.486SS*.Hα-helixtrans-63.7-31.3175.4-69.1-52.9000112.7D67 E68 L69 R75D67-F71 HydrophobicContact CB-CE2 4.26Å; D67-F71 WeakPolarHBondContact O-CD2 3.2Å; D67-F71 WeakPolarHBondContact O-CG 3.35Å; D67-F71 PolarHBondContact O-N 2.9Å; E68-F71 PolarHBondContact O-N 3.47Å; L69-F71 PolarHBondContact O-N 3.14Å; F71-R75 WeakPolarHBondContact O-CB 3.38Å; F71-R75 PolarHBondContact O-N 3.03Å
72T98.5Very high98.6Very high53 Ų53100.3 Ų100.333%0.32549%0.491SS..Hα-helixtrans-73-41.2178-64.50000112.1E68 L69 L70 R75 E76E68-T72 WeakPolarHBondContact O-CB 3.21Å; E68-T72 PolarHBondContact O-N 2.78Å; E68-T72 PolarHBondContact O-OG1 3.26Å; L69-T72 PolarHBondContact O-N 3.33Å; L69-T72 VanDerWaalsContact O-N 3.12Å; L70-T72 VanDerWaalsContact C-N 3.26Å; L70-T72 PolarHBondContact O-N 3.42Å; T72-R75 WeakPolarHBondContact O-CB 3.38Å; T72-R75 PolarHBondContact O-N 3.4Å; T72-R75 PolarHBondContact OG1-NH1 3.14Å; T72-E76 PolarHBondContact O-N 2.92Å
73V98.7Very high98.6Very high94 Ų9496.7 Ų96.757%0.5748%0.479SS*.Hα-helixtrans-61.1-48.2172.71720000111.1L69 L70 R75 E76 K77L69-V73 WeakPolarHBondContact O-CG2 3.2Å; L69-V73 PolarHBondContact O-N 3.39Å; L70-V73 PolarHBondContact O-N 2.94Å; V73-R75 VanDerWaalsContact C-N 3.3Å; V73-R75 PolarHBondContact O-N 3.41Å; V73-E76 PolarHBondContact O-N 3.25Å; V73-K77 PolarHBondContact O-N 2.89Å
74E98.6Very high98.6Very high59 Ų5998 Ų9828%0.27648%0.481SS..Hα-helixtrans-68.9-28.4179.2-178.965.6-165.800112.2L70 K77 R78L70-E74 PolarHBondContact O-N 3.29Å; E74-K77 IonicContact OE1-NZ 3.69Å; E74-K77 WeakPolarHBondContact OE2-CD 3.4Å; E74-K77 IonicContact OE2-NZ 3.14Å; E74-K77 PolarHBondContact OE2-NZ 3.42Å; E74-K77 VanDerWaalsContact OE2-NZ 3.14Å; E74-R78 VanDerWaalsContact CG-CZ 3.48Å; E74-R78 WeakPolarHBondContact O-CG 3.44Å; E74-R78 PolarHBondContact O-N 3.06Å; E74-R78 IonicContact OE1-CZ 2.62Å; E74-R78 VanDerWaalsContact OE1-CZ 3.28Å; E74-R78 IonicContact OE1-NE 3.22Å; E74-R78 IonicContact OE1-NH2 3.25Å; E74-R78 PolarHBondContact OE1-NH2 3.18Å
75R98.6Very high98.6Very high130 Ų13098.5 Ų98.549%0.49148%0.477SS..Hα-helixtrans-64.8-42.8170.1-173.8-167.6-59.5118.7-0.1111.3F71 T72 V73 R78 K79F71-R75 WeakPolarHBondContact O-CB 3.38Å; F71-R75 PolarHBondContact O-N 3.03Å; T72-R75 WeakPolarHBondContact O-CB 3.38Å; T72-R75 PolarHBondContact O-N 3.4Å; T72-R75 PolarHBondContact OG1-NH1 3.14Å; V73-R75 VanDerWaalsContact C-N 3.3Å; V73-R75 PolarHBondContact O-N 3.41Å; R75-R78 PolarHBondContact O-N 3.32Å; R75-K79 PolarHBondContact O-N 3.18Å
76E98.4Very high98.7Very high86 Ų8696.7 Ų96.740%0.40248%0.475SS..Hα-helixtrans-66.6-46.7-179.8-155.461.3-149.500111.4T72 V73 R78 K79 D80T72-E76 PolarHBondContact O-N 2.92Å; V73-E76 PolarHBondContact O-N 3.25Å; E76-R78 PolarHBondContact O-N 2.93Å; E76-K79 WeakPolarHBondContact O-CA 3.33Å; E76-K79 VanDerWaalsContact O-CB 3.3Å; E76-K79 WeakPolarHBondContact O-CB 3.44Å; E76-K79 PolarHBondContact O-N 3.04Å; E76-K79 WeakPolarHBondContact OE1-CD 3.41Å; E76-K79 IonicContact OE1-NZ 3.29Å; E76-K79 PolarHBondContact OE1-NZ 2.69Å; E76-K79 WeakPolarHBondContact OE2-CE 3.46Å; E76-K79 IonicContact OE2-NZ 2.65Å; E76-K79 PolarHBondContact OE2-NZ 3.44Å; E76-D80 PolarHBondContact O-N 3.49Å
77K98.7Very high98.7Very high98 Ų9896.8 Ų96.843%0.42647%0.474SS..Hα-helixtrans-51.7-42.2173.8179.1-174.8158.5-151.10112.7V73 E74 K79 D80 E81V73-K77 PolarHBondContact O-N 2.89Å; E74-K77 IonicContact OE1-NZ 3.69Å; E74-K77 WeakPolarHBondContact OE2-CD 3.4Å; E74-K77 IonicContact OE2-NZ 3.14Å; E74-K77 PolarHBondContact OE2-NZ 3.42Å; E74-K77 VanDerWaalsContact OE2-NZ 3.14Å; K77-K79 VanDerWaalsContact C-N 3.34Å; K77-K79 PolarHBondContact O-N 3.26Å; K77-D80 PolarHBondContact O-N 3.11Å; K77-E81 WeakPolarHBondContact CE-OE1 3.46Å; K77-E81 WeakPolarHBondContact O-CG 3.02Å; K77-E81 PolarHBondContact O-N 2.71Å
78R98.7Very high98.7Very high134 Ų13496.1 Ų96.151%0.50648%0.475SS..Hα-helixtrans-66.3-30.7175.4-72.6-179.3-171.5120.711.6113.5E74 R75 E76 L82E74-R78 VanDerWaalsContact CG-CZ 3.48Å; E74-R78 WeakPolarHBondContact O-CG 3.44Å; E74-R78 PolarHBondContact O-N 3.06Å; E74-R78 IonicContact OE1-CZ 2.62Å; E74-R78 VanDerWaalsContact OE1-CZ 3.28Å; E74-R78 IonicContact OE1-NE 3.22Å; E74-R78 IonicContact OE1-NH2 3.25Å; E74-R78 PolarHBondContact OE1-NH2 3.18Å; R75-R78 PolarHBondContact O-N 3.32Å; E76-R78 PolarHBondContact O-N 2.93Å; R78-L82 WeakPolarHBondContact O-CB 3.35Å; R78-L82 VanDerWaalsContact O-CG 3.26Å; R78-L82 WeakPolarHBondContact O-CG 3.48Å; R78-L82 PolarHBondContact O-N 2.88Å; R78-L82 VanDerWaalsContact O-N 3.07Å
79K98.8Very high98.7Very high104 Ų10496.2 Ų96.245%0.45247%0.474SS..Hα-helixtrans-67.9-42.4171.8-61.1177.6-165.4162.70111R75 E76 K77 L82 L83R75-K79 PolarHBondContact O-N 3.18Å; E76-K79 WeakPolarHBondContact O-CA 3.33Å; E76-K79 VanDerWaalsContact O-CB 3.3Å; E76-K79 WeakPolarHBondContact O-CB 3.44Å; E76-K79 PolarHBondContact O-N 3.04Å; E76-K79 WeakPolarHBondContact OE1-CD 3.41Å; E76-K79 IonicContact OE1-NZ 3.29Å; E76-K79 PolarHBondContact OE1-NZ 2.69Å; E76-K79 WeakPolarHBondContact OE2-CE 3.46Å; E76-K79 IonicContact OE2-NZ 2.65Å; E76-K79 PolarHBondContact OE2-NZ 3.44Å; K77-K79 VanDerWaalsContact C-N 3.34Å; K77-K79 PolarHBondContact O-N 3.26Å; K79-L82 PolarHBondContact O-N 2.93Å; K79-L83 WeakPolarHBondContact O-CB 3.42Å; K79-L83 PolarHBondContact O-N 3.36Å
80D98.7Very high98.7Very high84 Ų8496.2 Ų96.245%0.44947%0.471SS..Hα-helixtrans-62.7-43.2176.8-72.7-33.8000111.7E76 K77 L82 L83 N84E76-D80 PolarHBondContact O-N 3.49Å; K77-D80 PolarHBondContact O-N 3.11Å; D80-L82 PolarHBondContact O-N 3.4Å; D80-L83 PolarHBondContact O-N 3.12Å; D80-N84 WeakPolarHBondContact O-CB 3.38Å; D80-N84 PolarHBondContact O-N 3.49Å; D80-N84 PolarHBondContact O-ND2 3.25Å; D80-N84 VanDerWaalsContact O-ND2 3.15Å
81E98.8Very high98.7Very high92 Ų9297.6 Ų97.643%0.4348%0.475SS..Hα-helixtrans-57.7-47.3172.9-72.9169.8-175.800111.7K77 L83 N84 I85K77-E81 WeakPolarHBondContact CE-OE1 3.46Å; K77-E81 WeakPolarHBondContact O-CG 3.02Å; K77-E81 PolarHBondContact O-N 2.71Å; E81-L83 PolarHBondContact O-N 2.98Å; E81-N84 PolarHBondContact O-N 2.92Å; E81-I85 WeakPolarHBondContact O-CG1 3.21Å; E81-I85 PolarHBondContact O-N 2.96Å
82L98.9Very high98.7Very high118 Ų11897 Ų9762%0.61847%0.468SS*.Hα-helixtrans-62.8-40.8175.7-73.6170.4000112.7R78 K79 D80 I85 A86R78-L82 WeakPolarHBondContact O-CB 3.35Å; R78-L82 VanDerWaalsContact O-CG 3.26Å; R78-L82 WeakPolarHBondContact O-CG 3.48Å; R78-L82 PolarHBondContact O-N 2.88Å; R78-L82 VanDerWaalsContact O-N 3.07Å; K79-L82 PolarHBondContact O-N 2.93Å; D80-L82 PolarHBondContact O-N 3.4Å; L82-I85 PolarHBondContact O-N 3.46Å; L82-A86 WeakPolarHBondContact O-CB 3.37Å; L82-A86 PolarHBondContact O-N 3.38Å
83L98.8Very high98.7Very high86 Ų8697.7 Ų97.745%0.4547%0.473SS..Hα-helixtrans-64.7-39.9177.1-179.262.2000111.4K79 D80 E81 A86 K87K79-L83 WeakPolarHBondContact O-CB 3.42Å; K79-L83 PolarHBondContact O-N 3.36Å; D80-L83 PolarHBondContact O-N 3.12Å; E81-L83 PolarHBondContact O-N 2.98Å; L83-A86 PolarHBondContact O-N 3.03Å; L83-K87 HydrophobicContact CG-CD 4.44Å; L83-K87 WeakPolarHBondContact O-CG 3.35Å; L83-K87 PolarHBondContact O-N 3.02Å
84N98.7Very high98.7Very high93 Ų9397.3 Ų97.350%0.49747%0.468SS..Hα-helixtrans-67.2-40175.9-70.5-29.2000111.9D80 E81 A86 K87 S88D80-N84 WeakPolarHBondContact O-CB 3.38Å; D80-N84 PolarHBondContact O-N 3.49Å; D80-N84 PolarHBondContact O-ND2 3.25Å; D80-N84 VanDerWaalsContact O-ND2 3.15Å; E81-N84 PolarHBondContact O-N 2.92Å; N84-A86 VanDerWaalsContact C-N 3.33Å; N84-A86 PolarHBondContact O-N 3.49Å; N84-K87 PolarHBondContact O-N 3.07Å; N84-S88 WeakPolarHBondContact O-CB 3.25Å; N84-S88 PolarHBondContact O-N 3.28Å
85I98.8Very high98.7Very high91 Ų9197.4 Ų97.447%0.46747%0.474SS..Hα-helixtrans-61.6-41.5172-68.5164.8000111E81 L82 K89E81-I85 WeakPolarHBondContact O-CG1 3.21Å; E81-I85 PolarHBondContact O-N 2.96Å; L82-I85 PolarHBondContact O-N 3.46Å; I85-K89 HydrophobicContact CG2-CD 4.24Å; I85-K89 WeakPolarHBondContact O-CG 3.39Å; I85-K89 PolarHBondContact O-N 3.06Å
86A98.8Very high98.7Very high53 Ų5396.2 Ų96.244%0.43848%0.475SS..Hα-helixtrans-64.7-45.117700000112.1L82 L83 N84 K89 Q90L82-A86 WeakPolarHBondContact O-CB 3.37Å; L82-A86 PolarHBondContact O-N 3.38Å; L83-A86 PolarHBondContact O-N 3.03Å; N84-A86 VanDerWaalsContact C-N 3.33Å; N84-A86 PolarHBondContact O-N 3.49Å; A86-K89 PolarHBondContact O-N 2.89Å; A86-Q90 PolarHBondContact O-N 3.37Å
87K98.8Very high98.7Very high120 Ų12095.6 Ų95.652%0.52247%0.474SS..Hα-helixtrans-58.6-48.4174.3-73.6170.4-179.5170.80111.9L83 N84 K89 Q90 E91L83-K87 HydrophobicContact CG-CD 4.44Å; L83-K87 WeakPolarHBondContact O-CG 3.35Å; L83-K87 PolarHBondContact O-N 3.02Å; N84-K87 PolarHBondContact O-N 3.07Å; K87-K89 VanDerWaalsContact C-N 3.33Å; K87-K89 PolarHBondContact O-N 2.9Å; K87-Q90 WeakPolarHBondContact O-CB 3.35Å; K87-Q90 PolarHBondContact O-N 3.26Å; K87-Q90 VanDerWaalsContact O-N 3.15Å; K87-E91 WeakPolarHBondContact O-CB 3.37Å; K87-E91 PolarHBondContact O-N 2.82Å
88S98.7Very high98.7Very high59 Ų5996.3 Ų96.341%0.41348%0.478SS..Hα-helixtrans-62.6-36.5178.2177.50000113N84 R92N84-S88 WeakPolarHBondContact O-CB 3.25Å; N84-S88 PolarHBondContact O-N 3.28Å; S88-R92 PolarHBondContact O-N 3.06Å
89K98.9Very high98.7Very high118 Ų11894 Ų9451%0.51348%0.476SS..Hα-helixtrans-62.8-48.2171.2-76.5172.9178.3-178.30111.4I85 A86 K87 E91 R92 T93I85-K89 HydrophobicContact CG2-CD 4.24Å; I85-K89 WeakPolarHBondContact O-CG 3.39Å; I85-K89 PolarHBondContact O-N 3.06Å; A86-K89 PolarHBondContact O-N 2.89Å; K87-K89 VanDerWaalsContact C-N 3.33Å; K87-K89 PolarHBondContact O-N 2.9Å; K89-E91 VanDerWaalsContact C-N 3.34Å; K89-E91 PolarHBondContact O-N 2.8Å; K89-R92 PolarHBondContact O-N 3.28Å; K89-T93 PolarHBondContact O-N 3.41Å; K89-T93 VanDerWaalsContact O-N 3.13Å; K89-T93 PolarHBondContact O-OG1 2.9Å
90Q98.7Very high98.7Very high108 Ų10894.8 Ų94.851%0.50549%0.485SS..Hα-helixtrans-61-41.3178.8-174.363.251.100112.2A86 K87 T93 N94A86-Q90 PolarHBondContact O-N 3.37Å; K87-Q90 WeakPolarHBondContact O-CB 3.35Å; K87-Q90 PolarHBondContact O-N 3.26Å; K87-Q90 VanDerWaalsContact O-N 3.15Å; Q90-T93 PolarHBondContact O-N 2.94Å; Q90-N94 PolarHBondContact NE2-OD1 3.45Å; Q90-N94 WeakPolarHBondContact O-CB 3.44Å; Q90-N94 PolarHBondContact O-N 2.78Å; Q90-N94 PolarHBondContact O-OD1 3.34Å
91E98.8Very high98.7Very high129 Ų12999 Ų9960%0.60349%0.494SS*.Hα-helixtrans-62.7-42.8179-175.5173.4-157.700112.5K87 K89 N94 S95K87-E91 WeakPolarHBondContact O-CB 3.37Å; K87-E91 PolarHBondContact O-N 2.82Å; K89-E91 VanDerWaalsContact C-N 3.34Å; K89-E91 PolarHBondContact O-N 2.8Å; E91-N94 PolarHBondContact O-N 3.49Å; E91-S95 WeakPolarHBondContact O-CB 3.2Å; E91-S95 PolarHBondContact O-N 3.16Å; E91-S95 PolarHBondContact O-OG 3.08Å
92R98.6Very high98.7Very high127 Ų127100.5 Ų100.548%0.47950%0.501SS..Hα-helixtrans-62.8-48.4173.9-73.5-173.3-68.8101.1-6.8111.9S88 K89 N94 S95 E96S88-R92 PolarHBondContact O-N 3.06Å; K89-R92 PolarHBondContact O-N 3.28Å; R92-N94 VanDerWaalsContact C-N 3.32Å; R92-N94 PolarHBondContact O-N 3.18Å; R92-S95 WeakPolarHBondContact O-CB 3.33Å; R92-S95 PolarHBondContact O-N 2.87Å; R92-S95 VanDerWaalsContact O-N 3.08Å; R92-E96 WeakPolarHBondContact O-CG 3.39Å; R92-E96 PolarHBondContact O-N 2.86Å
93T98.7Very high98.7Very high69 Ų6999 Ų9942%0.42349%0.493SS..Hα-helixtrans-61.8-39177-59.50000112.2K89 Q90 S95 L97K89-T93 PolarHBondContact O-N 3.41Å; K89-T93 VanDerWaalsContact O-N 3.13Å; K89-T93 PolarHBondContact O-OG1 2.9Å; Q90-T93 PolarHBondContact O-N 2.94Å; T93-S95 VanDerWaalsContact C-N 3.32Å; T93-S95 PolarHBondContact O-N 3.09Å; T93-L97 WeakPolarHBondContact O-CB 3.5Å; T93-L97 PolarHBondContact O-N 2.98Å
94N98.6Very high98.7Very high86 Ų86101.9 Ų101.946%0.4650%0.499SS..Hα-helixtrans-61.9-39.8173.4-75-9.8000112Q90 E91 R92 H98Q90-N94 PolarHBondContact NE2-OD1 3.45Å; Q90-N94 WeakPolarHBondContact O-CB 3.44Å; Q90-N94 PolarHBondContact O-N 2.78Å; Q90-N94 PolarHBondContact O-OD1 3.34Å; E91-N94 PolarHBondContact O-N 3.49Å; R92-N94 VanDerWaalsContact C-N 3.32Å; R92-N94 PolarHBondContact O-N 3.18Å; N94-H98 VanDerWaalsContact O-CB 3.32Å; N94-H98 WeakPolarHBondContact O-CB 3.45Å; N94-H98 PolarHBondContact O-N 2.89Å
95S98.7Very high98.7Very high60 Ų60101.8 Ų101.842%0.4250%0.501SS..Hα-helixtrans-69.8-45.8179.6-55.70000111.7E91 R92 T93 L97 H98 N99E91-S95 WeakPolarHBondContact O-CB 3.2Å; E91-S95 PolarHBondContact O-N 3.16Å; E91-S95 PolarHBondContact O-OG 3.08Å; R92-S95 WeakPolarHBondContact O-CB 3.33Å; R92-S95 PolarHBondContact O-N 2.87Å; R92-S95 VanDerWaalsContact O-N 3.08Å; T93-S95 VanDerWaalsContact C-N 3.32Å; T93-S95 PolarHBondContact O-N 3.09Å; S95-L97 VanDerWaalsContact C-N 3.33Å; S95-L97 PolarHBondContact O-N 3.4Å; S95-H98 PolarHBondContact O-N 3.26Å; S95-N99 PolarHBondContact O-N 3.2Å; S95-N99 PolarHBondContact O-ND2 3.45Å
96E98.7Very high98.7Very high106 Ų106103.9 Ų103.950%0.49551%0.507SS..Hα-helixtrans-58-45.5173.5-70.3161.2-159.400111.2R92 N99 L100R92-E96 WeakPolarHBondContact O-CG 3.39Å; R92-E96 PolarHBondContact O-N 2.86Å; E96-N99 PolarHBondContact O-N 3.03Å; E96-L100 WeakPolarHBondContact O-CG 3.42Å; E96-L100 PolarHBondContact O-N 3.17Å
97L98.8Very high98.7Very high73 Ų73106.7 Ų106.738%0.38251%0.511SS..Hα-helixtrans-67.2-37.1178.2-173154.6000112.3T93 S95 L100 R101T93-L97 WeakPolarHBondContact O-CB 3.5Å; T93-L97 PolarHBondContact O-N 2.98Å; S95-L97 VanDerWaalsContact C-N 3.33Å; S95-L97 PolarHBondContact O-N 3.4Å; L97-L100 PolarHBondContact O-N 3.29Å; L97-R101 HydrophobicContact CD2-CG 4.4Å; L97-R101 WeakPolarHBondContact O-CG 3.46Å; L97-R101 PolarHBondContact O-N 3.25Å
98H98.7Very high98.6Very high112 Ų112105.3 Ų105.352%0.51951%0.506SS..Hα-helixtrans-62.7-45.9171.9179.379.8000111.5N94 S95 L100 R101 Q102N94-H98 VanDerWaalsContact O-CB 3.32Å; N94-H98 WeakPolarHBondContact O-CB 3.45Å; N94-H98 PolarHBondContact O-N 2.89Å; S95-H98 PolarHBondContact O-N 3.26Å; H98-L100 PolarHBondContact O-N 3.28Å; H98-R101 WeakPolarHBondContact O-CB 3.24Å; H98-R101 PolarHBondContact O-N 2.92Å; H98-Q102 PolarHBondContact O-N 2.95Å
99N98.6Very high98.6Very high86 Ų86105.6 Ų105.646%0.4651%0.508SS..Hα-helixtrans-60.9-43.8177-67.4-19.2000111.7S95 E96 R101 Q102 I103S95-N99 PolarHBondContact O-N 3.2Å; S95-N99 PolarHBondContact O-ND2 3.45Å; E96-N99 PolarHBondContact O-N 3.03Å; N99-R101 PolarHBondContact O-N 2.87Å; N99-Q102 PolarHBondContact O-N 2.99Å; N99-I103 WeakPolarHBondContact O-CG1 3.35Å; N99-I103 PolarHBondContact O-N 3.48Å
100L98.8Very high98.6Very high121 Ų121103.9 Ų103.963%0.63451%0.505SS*.Hα-helixtrans-61.5-41175.1-72.8171.9000112.5E96 L97 H98 I103 Y104E96-L100 WeakPolarHBondContact O-CG 3.42Å; E96-L100 PolarHBondContact O-N 3.17Å; L97-L100 PolarHBondContact O-N 3.29Å; H98-L100 PolarHBondContact O-N 3.28Å; L100-I103 PolarHBondContact O-N 2.84Å; L100-Y104 WeakPolarHBondContact O-CB 3.42Å; L100-Y104 PolarHBondContact O-N 3.15Å
101R98.6Very high98.5Very high171 Ų171103.9 Ų103.965%0.64551%0.508SS*.Hα-helixtrans-62.5-41.5173.5-75.1175.7174.8170.30.6112L97 H98 N99 Y104 V105L97-R101 HydrophobicContact CD2-CG 4.4Å; L97-R101 WeakPolarHBondContact O-CG 3.46Å; L97-R101 PolarHBondContact O-N 3.25Å; H98-R101 WeakPolarHBondContact O-CB 3.24Å; H98-R101 PolarHBondContact O-N 2.92Å; N99-R101 PolarHBondContact O-N 2.87Å; R101-Y104 PolarHBondContact O-N 3.15Å; R101-V105 WeakPolarHBondContact O-CG2 3.4Å; R101-V105 PolarHBondContact O-N 2.87Å
102Q98.6Very high98.5Very high124 Ų124103.6 Ų103.658%0.57951%0.507SS*.Hα-helixtrans-63.9-43.6177-171.5-174.991.700111.6H98 N99 V105 K106H98-Q102 PolarHBondContact O-N 2.95Å; N99-Q102 PolarHBondContact O-N 2.99Å; Q102-V105 PolarHBondContact O-N 3.08Å; Q102-K106 PolarHBondContact O-N 3.49Å
103I98.6Very high98.4Very high86 Ų86104.1 Ų104.144%0.44151%0.512SS..Hα-helixtrans-60.8-45.3175-67.9164.6000110.8N99 L100 K106 Q107N99-I103 WeakPolarHBondContact O-CG1 3.35Å; N99-I103 PolarHBondContact O-N 3.48Å; L100-I103 PolarHBondContact O-N 2.84Å; I103-K106 PolarHBondContact O-N 2.88Å; I103-Q107 HydrophobicContact CG2-CG 4.34Å; I103-Q107 WeakPolarHBondContact O-CG 3.47Å; I103-Q107 PolarHBondContact O-N 2.98Å
104Y98.6Very high98.4Very high147 Ų147105.6 Ų105.658%0.57652%0.518SS*.Hα-helixtrans-59.6-47.9177.6176.3-93.3000112.3L100 R101 K106 Q107 Q108L100-Y104 WeakPolarHBondContact O-CB 3.42Å; L100-Y104 PolarHBondContact O-N 3.15Å; R101-Y104 PolarHBondContact O-N 3.15Å; Y104-K106 VanDerWaalsContact C-N 3.3Å; Y104-K106 PolarHBondContact O-N 3.41Å; Y104-Q107 PolarHBondContact O-N 3.38Å; Y104-Q108 WeakPolarHBondContact O-CB 3.23Å; Y104-Q108 PolarHBondContact O-N 3.02Å
105V98.6Very high98.3Very high92 Ų92106 Ų10656%0.55852%0.519SS*.Hα-helixtrans-60.3-41.2176.8169.90000111.2R101 Q102 Q108 S109R101-V105 WeakPolarHBondContact O-CG2 3.4Å; R101-V105 PolarHBondContact O-N 2.87Å; Q102-V105 PolarHBondContact O-N 3.08Å; V105-Q108 PolarHBondContact O-N 2.9Å; V105-S109 PolarHBondContact O-N 3.41Å
106K98.4Very high98.2Very high135 Ų135109 Ų10959%0.58753%0.525SS*.Hα-helixtrans-62.8-49.8175.6-168.2-163.8170-164.70111.5Q102 I103 Y104 Q108 S109 D110Q102-K106 PolarHBondContact O-N 3.49Å; I103-K106 PolarHBondContact O-N 2.88Å; Y104-K106 VanDerWaalsContact C-N 3.3Å; Y104-K106 PolarHBondContact O-N 3.41Å; K106-Q108 VanDerWaalsContact C-N 3.25Å; K106-Q108 PolarHBondContact O-N 3.04Å; K106-S109 WeakPolarHBondContact O-CB 3.48Å; K106-S109 PolarHBondContact O-N 2.92Å; K106-S109 VanDerWaalsContact O-N 3.07Å; K106-D110 WeakPolarHBondContact CE-OD2 3.43Å; K106-D110 VanDerWaalsContact O-CG 3.31Å; K106-D110 PolarHBondContact O-N 3.09Å
107Q98.4Very high98Very high112 Ų112106.9 Ų106.952%0.52352%0.517SS..Hα-helixtrans-58.7-37.4178-74175.5-22.800112.2I103 Y104 D110 L111I103-Q107 HydrophobicContact CG2-CG 4.34Å; I103-Q107 WeakPolarHBondContact O-CG 3.47Å; I103-Q107 PolarHBondContact O-N 2.98Å; Y104-Q107 PolarHBondContact O-N 3.38Å; Q107-D110 PolarHBondContact O-N 2.88Å; Q107-L111 WeakPolarHBondContact O-CB 3.42Å; Q107-L111 VanDerWaalsContact O-CG 3.3Å; Q107-L111 WeakPolarHBondContact O-CG 3.18Å; Q107-L111 PolarHBondContact O-N 3.46Å
108Q98.2Very high97.9Very high90 Ų90106.7 Ų106.742%0.42152%0.519SS..Hα-helixtrans-64.5-42.5174.5-171.9173.817.700112Y104 V105 K106 L111 Q112Y104-Q108 WeakPolarHBondContact O-CB 3.23Å; Y104-Q108 PolarHBondContact O-N 3.02Å; V105-Q108 PolarHBondContact O-N 2.9Å; K106-Q108 VanDerWaalsContact C-N 3.25Å; K106-Q108 PolarHBondContact O-N 3.04Å; Q108-L111 PolarHBondContact O-N 2.96Å; Q108-Q112 WeakPolarHBondContact O-CG 3.37Å; Q108-Q112 PolarHBondContact O-N 3.48Å
109S98.3Very high97.6Very high65 Ų65106.7 Ų106.746%0.45552%0.519SS..Hα-helixtrans-65.2-42.7174.6-172.30000112.4V105 K106 L111 Q112 F113V105-S109 PolarHBondContact O-N 3.41Å; K106-S109 WeakPolarHBondContact O-CB 3.48Å; K106-S109 PolarHBondContact O-N 2.92Å; K106-S109 VanDerWaalsContact O-N 3.07Å; S109-L111 VanDerWaalsContact C-N 3.32Å; S109-L111 PolarHBondContact O-N 3.32Å; S109-Q112 PolarHBondContact O-N 3.31Å; S109-F113 WeakPolarHBondContact O-CB 3.33Å; S109-F113 PolarHBondContact O-N 3.27Å
110D98.2Very high97.4Very high83 Ų83105.9 Ų105.944%0.44452%0.515SS..Hα-helixtrans-63.3-38.9178.7-67.2-21.6000110.7K106 Q107 L114K106-D110 WeakPolarHBondContact CE-OD2 3.43Å; K106-D110 VanDerWaalsContact O-CG 3.31Å; K106-D110 PolarHBondContact O-N 3.09Å; Q107-D110 PolarHBondContact O-N 2.88Å; D110-L114 PolarHBondContact O-N 3.5Å
111L98Very high97Very high108 Ų108102.6 Ų102.657%0.56550%0.502SS*.Hα-helixtrans-67.8-41.6173.8-75.5169.5000113Q107 Q108 S109 F113 L114 N115Q107-L111 WeakPolarHBondContact O-CB 3.42Å; Q107-L111 VanDerWaalsContact O-CG 3.3Å; Q107-L111 WeakPolarHBondContact O-CG 3.18Å; Q107-L111 PolarHBondContact O-N 3.46Å; Q108-L111 PolarHBondContact O-N 2.96Å; S109-L111 VanDerWaalsContact C-N 3.32Å; S109-L111 PolarHBondContact O-N 3.32Å; L111-F113 VanDerWaalsContact C-N 3.33Å; L111-L114 PolarHBondContact O-N 3.1Å; L111-N115 PolarHBondContact O-N 3.08Å
112Q97.6Very high96.7Very high123 Ų12399.6 Ų99.658%0.57550%0.495SS*.Hα-helixtrans-61.6-42.5174.8-76.6175.2-25.900111.5Q108 S109 N115 F116Q108-Q112 WeakPolarHBondContact O-CG 3.37Å; Q108-Q112 PolarHBondContact O-N 3.48Å; S109-Q112 PolarHBondContact O-N 3.31Å; Q112-N115 PolarHBondContact O-N 3.11Å; Q112-F116 PolarHBondContact O-N 3.05Å
113F97.9Very high96.3Very high137 Ų13799.7 Ų99.760%0.60150%0.496SS*.Hα-helixtrans-63.6-40.1174.9179.6-105.4000112.2S109 L111 N117S109-F113 WeakPolarHBondContact O-CB 3.33Å; S109-F113 PolarHBondContact O-N 3.27Å; L111-F113 VanDerWaalsContact C-N 3.33Å; F113-N117 WeakPolarHBondContact CD1-ND2 3.39Å; F113-N117 WeakPolarHBondContact CE1-ND2 3.45Å; F113-N117 WeakPolarHBondContact CE2-ND2 3.23Å; F113-N117 WeakPolarHBondContact CZ-ND2 3.43Å; F113-N117 PolarHBondContact O-N 2.62Å; F113-N117 VanDerWaalsContact O-N 3.08Å; F113-N117 PolarHBondContact O-ND2 3.41Å
114L97.3Very high95.9Very high101 Ų101101 Ų10153%0.52950%0.503SS..Hα-helixtrans-65.6-45.3176.7-175.260.9000111.9D110 L111 F116 N117 V118D110-L114 PolarHBondContact O-N 3.5Å; L111-L114 PolarHBondContact O-N 3.1Å; L114-F116 PolarHBondContact O-N 3.04Å; L114-N117 PolarHBondContact O-N 2.97Å; L114-V118 HydrophobicContact CD1-CG2 4.49Å; L114-V118 WeakPolarHBondContact O-CG2 3.44Å; L114-V118 PolarHBondContact O-N 2.93Å
115N96.3Very high95.4Very high93 Ų9398.5 Ų98.550%0.49750%0.499SS..Hα-helixtrans-57.4-48.1176.1-73.5-8.5000111.4L111 Q112 N117 V118 E119L111-N115 PolarHBondContact O-N 3.08Å; Q112-N115 PolarHBondContact O-N 3.11Å; N115-N117 VanDerWaalsContact C-N 3.33Å; N115-N117 PolarHBondContact O-N 3Å; N115-V118 PolarHBondContact O-N 3.28Å; N115-V118 VanDerWaalsContact O-N 3.14Å; N115-E119 WeakPolarHBondContact O-CB 3.45Å; N115-E119 WeakPolarHBondContact O-CG 3.28Å; N115-E119 PolarHBondContact O-N 3.21Å
116F96.6Very high94.9Very high125 Ų12599.8 Ų99.855%0.54850%0.499SS..Hα-helixtrans-58.6-41.2177176.1-98.5000112.8Q112 L114 N120Q112-F116 PolarHBondContact O-N 3.05Å; L114-F116 PolarHBondContact O-N 3.04Å; F116-N120 VanDerWaalsContact O-CB 3.26Å; F116-N120 WeakPolarHBondContact O-CB 3.49Å; F116-N120 PolarHBondContact O-N 2.89Å
117N95.7Very high94.3Very high61 Ų6198.7 Ų98.733%0.32650%0.497SS..Hα-helixtrans-67.6-38.3176.1-78.4-68.8000112.5F113 L114 N115 S121F113-N117 WeakPolarHBondContact CD1-ND2 3.39Å; F113-N117 WeakPolarHBondContact CE1-ND2 3.45Å; F113-N117 WeakPolarHBondContact CE2-ND2 3.23Å; F113-N117 WeakPolarHBondContact CZ-ND2 3.43Å; F113-N117 PolarHBondContact O-N 2.62Å; F113-N117 VanDerWaalsContact O-N 3.08Å; F113-N117 PolarHBondContact O-ND2 3.41Å; L114-N117 PolarHBondContact O-N 2.97Å; N115-N117 VanDerWaalsContact C-N 3.33Å; N115-N117 PolarHBondContact O-N 3Å; N117-S121 VanDerWaalsContact O-CB 3.29Å; N117-S121 WeakPolarHBondContact O-CB 3.28Å; N117-S121 PolarHBondContact O-N 3.48Å; N117-S121 PolarHBondContact O-OG 3.11Å
118V95.1Very high93.6Very high69 Ų69101.8 Ų101.842%0.41851%0.505SS..Hα-helixtrans-63.1-51.4174.9170.80000109.8L114 N115 N120 S121 Q122L114-V118 HydrophobicContact CD1-CG2 4.49Å; L114-V118 WeakPolarHBondContact O-CG2 3.44Å; L114-V118 PolarHBondContact O-N 2.93Å; N115-V118 PolarHBondContact O-N 3.28Å; N115-V118 VanDerWaalsContact O-N 3.14Å; V118-N120 PolarHBondContact O-N 3.38Å; V118-S121 PolarHBondContact O-N 2.65Å; V118-S121 VanDerWaalsContact O-N 3.16Å; V118-S121 PolarHBondContact O-OG 3.42Å; V118-Q122 VanDerWaalsContact O-CB 3.28Å; V118-Q122 WeakPolarHBondContact O-CB 3.48Å; V118-Q122 PolarHBondContact O-N 3.2Å
119E94Very high92.7Very high111 Ų111101.6 Ų101.652%0.51951%0.507SS..Hα-helixtrans-53.8-54176.5-72.4164.8-169.700111.4N115 S121 Q122 E123N115-E119 WeakPolarHBondContact O-CB 3.45Å; N115-E119 WeakPolarHBondContact O-CG 3.28Å; N115-E119 PolarHBondContact O-N 3.21Å; E119-S121 VanDerWaalsContact C-N 3.34Å; E119-S121 PolarHBondContact O-N 3.29Å; E119-Q122 CarbonylContact O-C 3.58Å; E119-Q122 WeakPolarHBondContact O-CB 3.43Å; E119-Q122 PolarHBondContact O-N 2.7Å; E119-E123 WeakPolarHBondContact O-CG 3.31Å; E119-E123 PolarHBondContact O-N 3.35Å
120N93.3Very high91.9Very high70 Ų70102 Ų10237%0.37451%0.509SS..Hα-helixtrans-59.7-38.4177.2175.659000113.1F116 V118 Q122 L124F116-N120 VanDerWaalsContact O-CB 3.26Å; F116-N120 WeakPolarHBondContact O-CB 3.49Å; F116-N120 PolarHBondContact O-N 2.89Å; V118-N120 PolarHBondContact O-N 3.38Å; N120-Q122 VanDerWaalsContact C-N 3.32Å; N120-L124 WeakPolarHBondContact O-CB 3.32Å; N120-L124 PolarHBondContact O-N 2.97Å; N120-L124 VanDerWaalsContact O-N 3.09Å
121S91.3Very high90.5Very high52 Ų52104 Ų10436%0.36451%0.514SS..Hα-helixtrans-68.5-32.6174.775.40000112.5N117 V118 E119 L124 I125N117-S121 VanDerWaalsContact O-CB 3.29Å; N117-S121 WeakPolarHBondContact O-CB 3.28Å; N117-S121 PolarHBondContact O-N 3.48Å; N117-S121 PolarHBondContact O-OG 3.11Å; V118-S121 PolarHBondContact O-N 2.65Å; V118-S121 VanDerWaalsContact O-N 3.16Å; V118-S121 PolarHBondContact O-OG 3.42Å; E119-S121 VanDerWaalsContact C-N 3.34Å; E119-S121 PolarHBondContact O-N 3.29Å; S121-L124 WeakPolarHBondContact O-CB 3.33Å; S121-L124 PolarHBondContact O-N 3.35Å; S121-I125 WeakPolarHBondContact O-CD1 3.28Å; S121-I125 VanDerWaalsContact O-CG1 3.28Å; S121-I125 WeakPolarHBondContact O-CG1 3.48Å; S121-I125 PolarHBondContact O-N 3.43Å
122Q92.2Very high88.7Confident108 Ų108103.6 Ų103.651%0.50551%0.511SS..Hα-helixtrans-79.3-34.5-178.5-162162.112.200111.5V118 E119 N120 I125 Q126V118-Q122 VanDerWaalsContact O-CB 3.28Å; V118-Q122 WeakPolarHBondContact O-CB 3.48Å; V118-Q122 PolarHBondContact O-N 3.2Å; E119-Q122 CarbonylContact O-C 3.58Å; E119-Q122 WeakPolarHBondContact O-CB 3.43Å; E119-Q122 PolarHBondContact O-N 2.7Å; N120-Q122 VanDerWaalsContact C-N 3.32Å; Q122-I125 PolarHBondContact O-N 3Å; Q122-Q126 WeakPolarHBondContact O-CG 3.21Å; Q122-Q126 PolarHBondContact O-N 2.85Å
123E89.8Confident86.7Confident126 Ų126102.8 Ų102.859%0.58951%0.507SS*.Hα-helixtrans-60.6-44.8165.4-72.7-178.8179.800111.5E119 I125 Q126 M127E119-E123 WeakPolarHBondContact O-CG 3.31Å; E119-E123 PolarHBondContact O-N 3.35Å; E123-I125 VanDerWaalsContact C-N 3.34Å; E123-I125 PolarHBondContact O-N 3.28Å; E123-Q126 PolarHBondContact O-N 3.38Å; E123-M127 WeakPolarHBondContact O-CB 3.44Å; E123-M127 VanDerWaalsContact O-CG 3.32Å; E123-M127 WeakPolarHBondContact O-CG 3.23Å; E123-M127 PolarHBondContact O-N 2.82Å
124L89.9Confident84.5Confident113 Ų113103.3 Ų103.359%0.59251%0.511SS*.Hα-helixtrans-59.4-41.6174.8-92.7162000112.7N120 S121 Y128N120-L124 WeakPolarHBondContact O-CB 3.32Å; N120-L124 PolarHBondContact O-N 2.97Å; N120-L124 VanDerWaalsContact O-N 3.09Å; S121-L124 WeakPolarHBondContact O-CB 3.33Å; S121-L124 PolarHBondContact O-N 3.35Å; L124-Y128 PolarHBondContact O-N 2.95Å
125I88.6Confident82.4Confident94 Ų94102.4 Ų102.448%0.48251%0.513SS..Hα-helixtrans-65.8-49.6175.2-69162.4000110.3S121 Q122 E123 M127 Y128 D129S121-I125 WeakPolarHBondContact O-CD1 3.28Å; S121-I125 VanDerWaalsContact O-CG1 3.28Å; S121-I125 WeakPolarHBondContact O-CG1 3.48Å; S121-I125 PolarHBondContact O-N 3.43Å; Q122-I125 PolarHBondContact O-N 3Å; E123-I125 VanDerWaalsContact C-N 3.34Å; E123-I125 PolarHBondContact O-N 3.28Å; I125-M127 VanDerWaalsContact C-N 3.28Å; I125-M127 PolarHBondContact O-N 2.83Å; I125-Y128 WeakPolarHBondContact O-CA 3.4Å; I125-Y128 WeakPolarHBondContact O-CB 3.29Å; I125-Y128 PolarHBondContact O-N 2.68Å; I125-D129 WeakPolarHBondContact CG2-OD2 3.3Å; I125-D129 PolarHBondContact O-N 2.84Å
126Q87.6Confident80.2Confident120 Ų120102.3 Ų102.356%0.56151%0.509SS*.Hα-helixtrans-58-38.4177-77.4-176.75.100112.8Q122 E123 Y128 S130Q122-Q126 WeakPolarHBondContact O-CG 3.21Å; Q122-Q126 PolarHBondContact O-N 2.85Å; E123-Q126 PolarHBondContact O-N 3.38Å; Q126-Y128 VanDerWaalsContact C-N 3.28Å; Q126-Y128 PolarHBondContact O-N 3.17Å; Q126-S130 WeakPolarHBondContact O-CB 3.44Å; Q126-S130 PolarHBondContact O-N 3.06Å; Q126-S130 PolarHBondContact O-OG 3.2Å
127M86.5Confident77.8Confident112 Ų112100.2 Ų100.255%0.55251%0.514SS*.Hα-helixtrans-65.7-29174.9-79.7-64.2-59.800113.1E123 I125 K131E123-M127 WeakPolarHBondContact O-CB 3.44Å; E123-M127 VanDerWaalsContact O-CG 3.32Å; E123-M127 WeakPolarHBondContact O-CG 3.23Å; E123-M127 PolarHBondContact O-N 2.82Å; I125-M127 VanDerWaalsContact C-N 3.28Å; I125-M127 PolarHBondContact O-N 2.83Å; M127-K131 WeakPolarHBondContact O-CD 3.49Å; M127-K131 VanDerWaalsContact O-CG 3.3Å; M127-K131 WeakPolarHBondContact O-CG 3.44Å
128Y83.1Confident75.5Confident177 Ų177105 Ų10569%0.69454%0.539SS*.Hα-helixtrans-80.7-46176.2-154.4-87.4000111.3L124 I125 Q126 S130 K131 M132L124-Y128 PolarHBondContact O-N 2.95Å; I125-Y128 WeakPolarHBondContact O-CA 3.4Å; I125-Y128 WeakPolarHBondContact O-CB 3.29Å; I125-Y128 PolarHBondContact O-N 2.68Å; Q126-Y128 VanDerWaalsContact C-N 3.28Å; Q126-Y128 PolarHBondContact O-N 3.17Å; Y128-S130 VanDerWaalsContact C-N 3.35Å; Y128-S130 PolarHBondContact O-N 3.07Å; Y128-K131 PolarHBondContact O-N 3.06Å; Y128-M132 PolarHBondContact O-N 2.62Å
129D80.6Confident73Confident86 Ų86108.8 Ų108.846%0.4656%0.557SS.*Hα-helixtrans-61.8-42.2177-68.5-21.4000111.3I125 K131 M132 E133I125-D129 WeakPolarHBondContact CG2-OD2 3.3Å; I125-D129 PolarHBondContact O-N 2.84Å; D129-K131 VanDerWaalsContact C-N 3.33Å; D129-K131 PolarHBondContact O-N 3.09Å; D129-M132 CarbonylContact O-C 3.59Å; D129-M132 PolarHBondContact O-N 3.1Å; D129-M132 VanDerWaalsContact O-N 3.09Å; D129-E133 PolarHBondContact O-N 3.38Å
130S79.6Confident70.6Confident72 Ų72108.8 Ų108.850%0.50357%0.569SS.*Hα-helixtrans-61.5-39.4176.2-60.50000112Q126 Y128 M132 E133 E134Q126-S130 WeakPolarHBondContact O-CB 3.44Å; Q126-S130 PolarHBondContact O-N 3.06Å; Q126-S130 PolarHBondContact O-OG 3.2Å; Y128-S130 VanDerWaalsContact C-N 3.35Å; Y128-S130 PolarHBondContact O-N 3.07Å; S130-M132 VanDerWaalsContact C-N 3.34Å; S130-E133 PolarHBondContact O-N 3.06Å; S130-E134 VanDerWaalsContact O-CB 3.25Å; S130-E134 WeakPolarHBondContact O-CB 3.46Å; S130-E134 PolarHBondContact O-N 3.17Å
131K70.3Confident68.6Low126 Ų126111.1 Ų111.155%0.54859%0.591SS.*Hα-helixtrans-70.4-30.8174.3-73.1173.9-178.21780112.5M127 Y128 D129 S135M127-K131 WeakPolarHBondContact O-CD 3.49Å; M127-K131 VanDerWaalsContact O-CG 3.3Å; M127-K131 WeakPolarHBondContact O-CG 3.44Å; Y128-K131 PolarHBondContact O-N 3.06Å; D129-K131 VanDerWaalsContact C-N 3.33Å; D129-K131 PolarHBondContact O-N 3.09Å; K131-S135 PolarHBondContact O-N 3.33Å; K131-S135 PolarHBondContact O-OG 2.83Å
132M58.8Low66.4Low100 Ų100119.6 Ų119.649%0.49362%0.615SS.*Hα-helixtrans-73.8-34.8175.7-156.4-172.6-166.500111.9Y128 D129 S130 S135 K136Y128-M132 PolarHBondContact O-N 2.62Å; D129-M132 CarbonylContact O-C 3.59Å; D129-M132 PolarHBondContact O-N 3.1Å; D129-M132 VanDerWaalsContact O-N 3.09Å; S130-M132 VanDerWaalsContact C-N 3.34Å; M132-S135 WeakPolarHBondContact CA-OG 3.42Å; M132-S135 PolarHBondContact O-OG 2.94Å; M132-K136 WeakPolarHBondContact O-CG 3.33Å; M132-K136 PolarHBondContact O-N 3.37Å
133E55.5Low64.1Low105 Ų105121.2 Ų121.249%0.49163%0.627SS.*Hα-helixtrans-77.1-36.3172.6-74.7-54.613800112.6D129 S130 S135 K136 A137D129-E133 PolarHBondContact O-N 3.38Å; S130-E133 PolarHBondContact O-N 3.06Å; E133-S135 PolarHBondContact O-N 3.5Å; E133-K136 CarbonylContact O-C 3.57Å; E133-K136 PolarHBondContact O-N 3.05Å; E133-K136 WeakPolarHBondContact OE1-CD 3.49Å; E133-K136 IonicContact OE1-NZ 2.79Å; E133-K136 PolarHBondContact OE1-NZ 3.02Å; E133-A137 WeakPolarHBondContact O-CB 3.21Å; E133-A137 PolarHBondContact O-N 3.26Å
134E52.6Low61.9Low148 Ų148122.9 Ų122.969%0.69264%0.637SS**Hα-helixtrans-62.1-26.9172.5-166.4170.5-134.500112S130S130-E134 VanDerWaalsContact O-CB 3.25Å; S130-E134 WeakPolarHBondContact O-CB 3.46Å; S130-E134 PolarHBondContact O-N 3.17Å
135S54Low60Low82 Ų82123.1 Ų123.157%0.57365%0.647SS**THydrogen-bonded Turntrans-89.8-6.9171.748.90000115.4K131 M132 E133K131-S135 PolarHBondContact O-N 3.33Å; K131-S135 PolarHBondContact O-OG 2.83Å; M132-S135 WeakPolarHBondContact CA-OG 3.42Å; M132-S135 PolarHBondContact O-OG 2.94Å; E133-S135 PolarHBondContact O-N 3.5Å
136K50Low57.8Low92 Ų92126.5 Ų126.540%0.467%0.665SS.*THydrogen-bonded Turntrans-99.8-23.5167.7-72.1173.6-164.1162.90113.6M132 E133 L138 D139 S140M132-K136 WeakPolarHBondContact O-CG 3.33Å; M132-K136 PolarHBondContact O-N 3.37Å; E133-K136 CarbonylContact O-C 3.57Å; E133-K136 PolarHBondContact O-N 3.05Å; E133-K136 WeakPolarHBondContact OE1-CD 3.49Å; E133-K136 IonicContact OE1-NZ 2.79Å; E133-K136 PolarHBondContact OE1-NZ 3.02Å; K136-L138 PolarHBondContact O-N 2.99Å; K136-L138 VanDerWaalsContact O-N 3.09Å; K136-D139 PolarHBondContact O-N 3.06Å; K136-S140 PolarHBondContact O-N 2.89Å
137A45.6Very low55.8Low81 Ų81125.5 Ų125.567%0.66967%0.671SS**THydrogen-bonded Turntrans-60.5-17.3175.300000113.1E133E133-A137 WeakPolarHBondContact O-CB 3.21Å; E133-A137 PolarHBondContact O-N 3.26Å
138L47.1Very low54Low162 Ų162128 Ų12885%0.84869%0.687SS**THydrogen-bonded Turntrans-88.6-8.1172.8-78.7171.4000115.1K136K136-L138 PolarHBondContact O-N 2.99Å; K136-L138 VanDerWaalsContact O-N 3.09Å
139D43Very low52.4Low148 Ų148126.7 Ų126.779%0.79169%0.691SS**THydrogen-bonded Turntrans-131.1-1.4-176.1-143.513.8000114.2K136 S141K136-D139 PolarHBondContact O-N 3.06Å; D139-S141 VanDerWaalsContact C-N 3.33Å; D139-S141 PolarHBondContact O-N 3.39Å; D139-S141 VanDerWaalsContact O-N 3.09Å
140S43.2Very low50.8Low111 Ų111131.1 Ų131.178%0.77671%0.709SS**  trans-86.667.4175.5-162.40000112.7K136K136-S140 PolarHBondContact O-N 2.89Å
141S51.8Low48.9Very low119 Ų119133.4 Ų133.483%0.83272%0.716SS**  trans-132.843.1167.8-175.40000112.1D139D139-S141 VanDerWaalsContact C-N 3.33Å; D139-S141 PolarHBondContact O-N 3.39Å; D139-S141 VanDerWaalsContact O-N 3.09Å
142R45.6Very low47.3Very low230 Ų230133.4 Ų133.487%0.86872%0.722SS**  trans-155.987.2168.3-155.2167.6-176.6169.8-0.7116.1
143D42.1Very low46.4Very low141 Ų141137.3 Ų137.375%0.75474%0.738SS**  65.4150.5123.1-149.212.1000122
144M43.6Very low45.9Very low161 Ų161138 Ų13879%0.79375%0.752SS**  trans77.2113.8168.8-61.9-65.6-72.200120.3
145C51.6Low45.4Very low118 Ų118140.1 Ų140.180%0.79776%0.759SS**  trans-60.9165.2167.3-46.90000113.6
146L41.9Very low44.7Very low165 Ų165142 Ų14286%0.86477%0.767SS**  trans-161.8127.7133.7-103.6176.5000113.4
147S45.9Very low44.1Very low100 Ų100144.6 Ų144.670%0.69979%0.785SS**  trans68.1111.9149.9-62.30000122.3
148D48Very low43.8Very low164 Ų164148.4 Ų148.488%0.87779%0.792SS**  trans-48.6137.6140.8-59.1-73.1000111.3
149L50.2Low43.6Very low149 Ų149150 Ų15078%0.7879%0.792SS**  trans-125.482.8164.8-17163.5000110.3N151L149-N151 PolarHBondContact O-N 2.87Å
150E45.9Very low43.6Very low179 Ų179154 Ų15484%0.83680%0.796SS**  trans-55.8117163.2-176174.3-135.700109.6
151N40.6Very low42.9Very low121 Ų121156.2 Ų156.265%0.64779%0.794SS**  trans-144.880.7172.8-121.7-27.6000114.3L149L149-N151 PolarHBondContact O-N 2.87Å
152N36.8Very low42.3Very low126 Ų126159.5 Ų159.567%0.67479%0.794SS**  trans52.2105.4132.2-65.3-68.9000119.3P154N152-P154 WeakPolarHBondContact O-CD 3.45Å
153H38.6Very low41.6Very low182 Ų182155 Ų15584%0.84379%0.787SS**  trans-64.8136.9151.8-59.6-80.1000111.5
154P46.5Very low41.4Very low120 Ų120156.3 Ų156.378%0.77979%0.789SS**  trans-95.4100.1149.3-5.325.2000109.1N152 V156N152-P154 WeakPolarHBondContact O-CD 3.45Å; P154-V156 PolarHBondContact O-N 3Å
155K41.5Very low41Very low191 Ų191157.9 Ų157.983%0.8379%0.791SS**  trans-71.4117.6158.5-79.7179177.4173.60107.8
156V39.7Very low40.1Very low122 Ų122157.8 Ų157.874%0.73979%0.792SS**  trans-114.1105.2162.3178.60000107.6P154 I158P154-V156 PolarHBondContact O-N 3Å; V156-I158 PolarHBondContact O-N 3.05Å
157D36.4Very low40.1Very low147 Ų147157 Ų15779%0.78679%0.788SS**  trans-68.3118.6171.7-77.8-58.3000110.3
158I40.5Very low39.3Very low160 Ų160161.8 Ų161.882%0.82180%0.796SS**  trans-122.6133.4151.2-61.2-175.7000108.4V156V156-I158 PolarHBondContact O-N 3.05Å
159K42.6Very low38.9Very low195 Ų195162.7 Ų162.785%0.84879%0.792SS**  trans-79.5149.2-156-63.8176.6-179.8175.90112.8E161K159-E161 PolarHBondContact O-N 3.1Å; K159-E161 VanDerWaalsContact O-N 3.12Å
160R42.1Very low38Very low232 Ų232162.9 Ų162.988%0.87579%0.794SS**  trans-49.4110.8156.3173.1-166.3-67.1171.9-2.9110.1
161E29.1Very low37.8Very low158 Ų158163.7 Ų163.774%0.73880%0.798SS**  trans-109.6118.6160.4-168.3170-176.200109.6K159 N163K159-E161 PolarHBondContact O-N 3.1Å; K159-E161 VanDerWaalsContact O-N 3.12Å; E161-N163 PolarHBondContact OE1-ND2 2.92Å
162K40.3Very low37.8Very low188 Ų188166.2 Ų166.282%0.81780%0.803SS**  trans-82118.3164.8-76.2178.7174.1179.90106.9
163N30.9Very low38Very low135 Ų135169.1 Ų169.172%0.72281%0.81SS**  trans-127.6130.2153.6-82.9-51.2000110.5E161E161-N163 PolarHBondContact OE1-ND2 2.92Å
164Q37.3Very low38Very low170 Ų170169 Ų16979%0.79481%0.81SS**  trans-102.3133.6-175.5-149.7-178.539.100107.3
165K35.7Very low37.8Very low193 Ų193167.1 Ų167.184%0.83980%0.804SS**  trans59.7114169.4-58.3168178.3175.90117
166S32.5Very low37.9Very low117 Ų117165.6 Ų165.682%0.81880%0.802SS**  -139.1136.912273.10000110.5
167L40.3Very low38Very low149 Ų149167.3 Ų167.378%0.7881%0.806SS**  trans-93114.5173.1168.479.8000106.6
168F29.3Very low38.4Very low199 Ų199166.3 Ų166.387%0.87381%0.805SS**  trans-136.6120.8155.4-109.8-87.8000109.4
169K41Very low38.4Very low184 Ų184167.2 Ų167.280%0.881%0.806SS**  trans-76.2127.8170.4-66.5180174.9-175.10107.5
170D31.1Very low38.1Very low153 Ų153166 Ų16682%0.81880%0.803SS**  trans-107.5103.9161.1-108.5-31000110.7K172D170-K172 PolarHBondContact O-N 2.87Å
171Q41.1Very low37.9Very low195 Ų195162.4 Ų162.491%0.91180%0.802SS**  trans-76.365.2-179.1-174.8-177.70.300110
172K41.5Very low38.1Very low175 Ų175166.3 Ų166.376%0.76181%0.81SS**  trans-147.55.8-174.1-134.7178.8-179.2-179.40119D170D170-K172 PolarHBondContact O-N 2.87Å
173F40.3Very low37.7Very low186 Ų186162.8 Ų162.882%0.81681%0.809SS**SBendtrans-109.5-8.5179.3-91.2-82.5000116.2
174E39.8Very low37.6Very low181 Ų181164.4 Ų164.485%0.84682%0.817SS**SBendtrans-89.6-18.9-178.5-159171.8-150.100113.7M176E174-M176 VanDerWaalsContact C-N 3.3Å; E174-M176 PolarHBondContact O-N 3.03Å
175A42.3Very low37.9Very low79 Ų79166.4 Ų166.465%0.65382%0.823SS**THydrogen-bonded Turntrans-74.5-13.9-176.700000114.6
176M43.1Very low37.5Very low159 Ų159162.3 Ų162.378%0.78382%0.819SS**THydrogen-bonded Turntrans-94.6-2.3-166.7-151.1166.264.800114.7E174E174-M176 VanDerWaalsContact C-N 3.3Å; E174-M176 PolarHBondContact O-N 3.03Å
177L41.8Very low37.5Very low158 Ų158162.2 Ų162.283%0.82782%0.818SS**SBendtrans-104.9-13.3178.3-156.969.6000113.9
178V43.3Very low36.8Very low127 Ų127161.7 Ų161.777%0.7783%0.825SS**SBendtrans-92.1-12.3-174.4-176.80000112.7
179Q41.5Very low37Very low178 Ų178159.4 Ų159.483%0.83282%0.822SS**SBendtrans-97.116.1-170.5-151.1177.7-10.900115.3
180Q37.1Very low36.4Very low169 Ų169157.8 Ų157.879%0.7982%0.818SS**SBendtrans-11213.9-176.2-150.7179.8-16.600115.2
181N37.1Very low36.1Very low158 Ų158157 Ų15785%0.84582%0.822SS**SBendtrans-134.723.9-179.5-86.3-61.5000115.1
182R34Very low35.9Very low240 Ų240155.2 Ų155.291%0.90681%0.812SS**  trans-148.488.9168.3-74.4-164.1-179.7-162.12113.2
183S31.5Very low35.3Very low114 Ų114153.9 Ų153.980%0.79781%0.808SS**  173126.4113.960.10000111.2
184D28.3Very low34.8Very low168 Ų168155.1 Ų155.190%0.89881%0.813SS**  trans-136.4123.9146.8-98.8-39.9000108.2
185K43.7Very low34.3Very low212 Ų212154.8 Ų154.892%0.92281%0.809SS**  trans-152.1108.7173.1-102.5-172.2176.8-177.20108.8
186S28.1Very low33.6Very low107 Ų107159.8 Ų159.875%0.74882%0.819SS**  trans-138.4107.9159.6470000106.1
187S31.3Very low32.8Very low116 Ų116160.2 Ų160.281%0.81182%0.819SS**  75.194.765.875.90000113.5
188C26.8Very low32.1Very low137 Ų137160.8 Ų160.893%0.92682%0.821SS**  trans-154.8146.6141-146.50000110
189D31.6Very low31.3Very low151 Ų151160.8 Ų160.881%0.80782%0.817SS**  trans-108.9167-170.2-104.9-49.7000112.9
190E28.7Very low30.9Very low150 Ų150159 Ų15970%0.70182%0.818SS**  trans39.8122.2160.5-68-162.7117.200121.1K192E190-K192 WeakPolarHBondContact OE1-CE 3.36Å; E190-K192 IonicContact OE1-NZ 2.87Å
191C25.9Very low30.5Very low136 Ų136157.2 Ų157.292%0.91982%0.818SS**  trans-142.9134.1131-153.10000111.2
192K35.9Very low30.2Very low159 Ų159159.3 Ų159.369%0.69182%0.821SS**  trans-97.8145.1-174.9-71.2-174.4-179.9175.30112.8E190E190-K192 WeakPolarHBondContact OE1-CE 3.36Å; E190-K192 IonicContact OE1-NZ 2.87Å
193E29.5Very low30Very low147 Ų147151.1 Ų151.169%0.68781%0.811SS**  trans53.1111.8137.5-168.2-178.6-177.500119
194K29.7Very low29.9Very low211 Ų211153 Ų15392%0.91781%0.807SS**  -161132.3127-107152.1-168.61750115.2
195K29.6Very low30Very low174 Ų174152.4 Ų152.476%0.75780%0.796SS**  trans-53.9138.9-177.9-61.3158.1179.6176.80116.7
196Q26.3Very low29.2Very low185 Ų185147.7 Ų147.786%0.86479%0.79SS**  -174.6108126.6-101.6172.80.500106.4
197Q26.6Very low29.3Very low168 Ų168149 Ų14979%0.78579%0.793SS**  66.477.765.1-161.7177.516.700114.1
198I27.9Very low29.3Very low170 Ų170150.5 Ų150.587%0.87279%0.79SS**  trans-135.2124.5142.6-61.3-176.6000106.6
199D26.9Very low29.4Very low126 Ų126150.1 Ų150.167%0.67478%0.784SS**  trans-77.6137.8176.9-66.1-70.8000111.6
200T32.3Very low29.3Very low140 Ų140150.4 Ų150.486%0.85979%0.785SS**  trans-16797.5132.8-66.80000110
201V29.6Very low29.3Very low132 Ų132148.5 Ų148.580%0.879%0.788SS**  trans-13.9139.5146.1172.70000114.7
202F29.2Very low29.3Very low203 Ų203147.2 Ų147.289%0.8978%0.78SS**  cis-177.5152.9-3.6166.6-89.8000108.3
203G29.8Very low29Very low68 Ų68146.5 Ų146.570%0.70178%0.783SS**  trans103.689.3162.800000117
204E29.2Very low29Very low152 Ų152148.9 Ų148.971%0.7179%0.791SS**  trans-90.2153.7174.9-104.7-166.4146.200114
205K31.2Very low28.9Very low157 Ų157145.1 Ų145.168%0.68379%0.786SS**  trans60.5115.6148.8-64160.4-179.2151.60117.5
206S26.2Very low29.1Very low113 Ų113145.8 Ų145.879%0.7979%0.789SS**  58.788.350.8-171.50000114.8
207V31Very low29.2Very low133 Ų133143.2 Ų143.281%0.80678%0.781SS**  trans-125.8137.8155.8176.40000108.3
208I32.5Very low29.2Very low148 Ų148143.1 Ų143.176%0.75979%0.785SS**  trans-78.7120.7-172.1-58.1169.2000109.8
209T27.8Very low29.5Very low130 Ų130140.5 Ų140.580%0.79878%0.777SS**  trans-120.3117.6168.1-51.60000108.7
210L29.6Very low29.7Very low157 Ų157141.2 Ų141.282%0.82278%0.776SS**  trans-85.5115.6177-75.7170.6000111
211S27.8Very low29.7Very low110 Ų110141.5 Ų141.577%0.76977%0.766SS**  trans12.9120.8157.5-51.90000120
212S26.3Very low29.5Very low108 Ų108143.8 Ų143.876%0.75577%0.767SS**  trans-125.8129.1143.5-176.70000108.7
213I30.7Very low29.4Very low144 Ų144140.4 Ų140.474%0.73876%0.759SS**  trans-98.1110.8-174.4-59.1168000108.6
214F29.4Very low29.6Very low197 Ų197144.2 Ų144.286%0.86476%0.762SS**  trans-139.7118.2162-88.6-77.6000109.8
215T27.8Very low29.9Very low133 Ų133142.2 Ų142.282%0.81676%0.762SS**  trans-100.4133.7-178.840.70000112.4
216K33.4Very low29.7Very low187 Ų187146.4 Ų146.481%0.81377%0.774SS**  trans-140.6150.8159.4-80.7-172.4175.3-170.90105
217D28.1Very low29.8Very low132 Ų132146.8 Ų146.871%0.70678%0.776SS**  cis-156157.82.5-100.2-40.4000106.7
218L26Very low29.7Very low166 Ų166148.8 Ų148.887%0.86978%0.781SS**  trans-162.997.8147.4-142.968.4000115.4
219V35.8Very low29.3Very low115 Ų115145.5 Ų145.570%0.69779%0.785SS**  10.5137.1123.1-153.90000116.1
220E30.9Very low29.1Very low140 Ų140143.2 Ų143.265%0.65479%0.786SS**  cis-166170.429.8-144.6-177.2170.800115.1
221K30.9Very low29.2Very low146 Ų146145.5 Ų145.564%0.63579%0.79SS**  trans66.2117.7149.2-86.8161.3-176.1132.50122.2
222H27Very low29.2Very low181 Ų181147.6 Ų147.684%0.83880%0.798SS**  -163.5154.694.3-117.2-93.1000115.4
223N26.4Very low29.2Very low132 Ų132150.7 Ų150.771%0.70680%0.801SS**  trans-78.7166.4-177.8-76-29.6000113.3
224L33.1Very low29.3Very low148 Ų148151.2 Ų151.278%0.77580%0.803SS**  cis-172.3-166.7-0.1-110171.3000106.4
225P37.1Very low29.2Very low109 Ų109148.9 Ų148.971%0.70880%0.795SS**  cis-131.5-178.1-23.836.9-17.6000115.4
226W25.3Very low30Very low246 Ų246148 Ų14893%0.93279%0.792SS**  trans-71166165.8-119.5-38.6000113.7
227S29.6Very low29.8Very low121 Ų121145.5 Ų145.585%0.84678%0.783SS**  trans-150.1157156.6-800000112.3
228L27.6Very low29.7Very low174 Ų174143.9 Ų143.991%0.91177%0.774SS**  trans-119.4130.5-156.4172.970.5000112.3
229G24.9Very low29.9Very low80 Ų80144.2 Ų144.283%0.82577%0.769SS**  trans55.1117146.800000121.4
230G24.3Very low29.5Very low81 Ų81146.8 Ų146.884%0.83578%0.777SS**  trans-165.1126.3162.800000112.9
231K30.6Very low29.3Very low205 Ų205145.6 Ų145.689%0.89178%0.779SS**  trans-80.9137.9179.1-69.9173.9174176.10111.8
232T28.5Very low29.1Very low154 Ų154146.1 Ų146.195%0.94579%0.788SS**  -162.1164.7122.714.10000112.9
233Q26.9Very low28.9Very low173 Ų173144 Ų14481%0.80879%0.792SS**  trans-93.7156.3-166.9177.6-165.678.200112.2
234I31.7Very low29Very low155 Ų155146.5 Ų146.580%0.79580%0.797SS**  trans162.8134.5133.2-82.8156.3000111.6
235E26.8Very low28.9Very low149 Ų149146.8 Ų146.870%0.69680%0.797SS**  trans-81.3-179.6173.1-118.4-157.795.900111.6
236P45.2Very low28.4Very low114 Ų114149.6 Ų149.674%0.7480%0.8SS**  cis-141.2178.927.236.2-12.6000118.3
237E28.9Very low28.5Very low134 Ų134143.7 Ų143.763%0.62679%0.792SS**  trans-33.6146.6165-45.8178.6136.800118.4
238N25.5Very low28.7Very low99 Ų99147.3 Ų147.353%0.52979%0.792SS.*  172.4135.790.3-102.1-67.1000114.8
239K30.2Very low28.8Very low172 Ų172144.6 Ų144.675%0.74879%0.788SS**  trans22116.5139.9-59.4163.5-164.9143.10118.6
240I27.9Very low29.8Very low170 Ų170146.3 Ų146.387%0.87278%0.784SS**  trans-113.8122.9162.4-63.1175.9000109.5
241T27.7Very low29.9Very low114 Ų114152 Ų15270%0.69979%0.786SS**  trans-120.5129.2176.2-33.20000109.4
242L26.7Very low29.6Very low158 Ų158147.5 Ų147.583%0.82778%0.78SS**  trans54109.5159-69.7160.7000119.1
243C22.8Very low29.4Very low135 Ų135149.5 Ų149.591%0.91278%0.778SS**  trans-88.5128.4150.6-75.60000110.1
244K27.1Very low29.3Very low186 Ų186143.7 Ų143.781%0.80977%0.765SS**  trans-124.5131.3170.2-162174.2-175.5177.20110.5
245I30.7Very low29.2Very low154 Ų154144 Ų14479%0.7977%0.774SS**  trans-76.8140.6-174-56.6161.3000110.2
246H28.5Very low29.1Very low167 Ų167139.9 Ų139.977%0.77377%0.771SS**  trans-141149.7161.7-84.3-71.4000114
247T27.1Very low28.5Very low122 Ų122141 Ų14175%0.74878%0.776SS**  trans-114.5127.1-169.522.50000112.8
248K33.6Very low28.5Very low197 Ų197143 Ų14386%0.85779%0.785SS**  trans52.9114.9146.9-60.3-172.5177.7-177.10122.4
249S28.8Very low28.6Very low118 Ų118146 Ų14683%0.82580%0.801SS**  trans74.3164.3131.5-135.80000120.2
250P45.8Very low28.6Very low115 Ų115147.1 Ų147.175%0.74781%0.809SS**  cis-129.9-179.4-20.919.64.9000115.5
251K27.4Very low28.6Very low200 Ų200142.3 Ų142.387%0.8780%0.802SS**  trans118.895.6133.6-152.8169.9-171.7177.10120.6
252C23Very low28.9Very low112 Ų112147 Ų14776%0.75781%0.812SS**  6398.7130-151.10000123.1
253H25.3Very low29.1Very low195 Ų195147.8 Ų147.890%0.90381%0.812SS**  -163.1161.4121.4-101.7-61.9000108.1
254G24.7Very low29.9Very low52 Ų52145.6 Ų145.654%0.53680%0.796SS.*  cis170.6140.5-10.300000112.1
255T28.9Very low29.9Very low162 Ų162141.8 Ų141.899%0.99479%0.792SS**  trans71.4131.4-177-18.80000114.8
256G25.1Very low29.6Very low62 Ų62143.3 Ų143.364%0.63980%0.796SS**  cis-179.7179.7-700000112.9
257V32.7Very low29.5Very low138 Ų138141.7 Ų141.784%0.83680%0.798SS**  trans68.288.7169-166.50000115.9
258Q28.2Very low30Very low175 Ų175141 Ų14182%0.81880%0.796SS**  65.8114.498.7-73.7-163-3.400117.2
259N29.1Very low29.6Very low162 Ų162137.1 Ų137.187%0.86679%0.789SS**  -159.7148.5110.4-103.3-45000111.8
260E29Very low29.4Very low196 Ų196138.8 Ų138.892%0.91679%0.788SS**  trans-78.6158.5174-57.4-177.2121.400110.6
261G28.1Very low28.5Very low69 Ų69137.7 Ų137.771%0.71178%0.783SS**  cis173.8-161.3-0.700000112
262K34.5Very low28.5Very low211 Ų211134.4 Ų134.492%0.91778%0.775SS**  trans76.482.1171.4-57.2-173179.6-178.20118.8
263Q31.7Very low28.8Very low176 Ų176135.1 Ų135.182%0.82277%0.767SS**  -25.3172.1127.6-73.4-109.7-3900117.2
264P38.5Very low29Very low89 Ų89133.8 Ų133.858%0.57876%0.758SS**  cis-145.1-171-34.438.9-19.9000114.6
265S26.6Very low29.3Very low105 Ų105138.4 Ų138.473%0.73477%0.766SS**  trans66.2155.3154.552.60000117.4
266E26.2Very low29.2Very low186 Ų186140.7 Ų140.787%0.86976%0.757SS**  cis-141.4152.724.7-66.2170.814900113.1
267T24.8Very low29.5Very low133 Ų133145.6 Ų145.682%0.81676%0.763SS**  trans-88.1159149.716.20000108.2
268P37.9Very low29.1Very low108 Ų108146 Ų14670%0.70176%0.76SS**  cis-155.7-17246.234.7-8.3000118.7
269T24.9Very low29Very low116 Ų116143.5 Ų143.571%0.71276%0.756SS**  trans81.1112.2141.8310000124.1
270L24.5Very low29.1Very low153 Ų153140.8 Ų140.880%0.80175%0.75SS**  83.2135.6120.8-127.289.8000122.8
271S28Very low29Very low92 Ų92137.5 Ų137.564%0.64374%0.743SS**  trans63151153.7-84.70000119.1
272D27.1Very low28.9Very low130 Ų130144.9 Ų144.970%0.69575%0.751SS**  cis-154.4173-9.4-133.5-41.3000112.6
273E28.4Very low28.8Very low128 Ų128142.3 Ų142.360%0.59875%0.747SS**  trans22.4125.3153.2-79.3-170.2127.300122.9
274K30.7Very low28.6Very low166 Ų166137.4 Ų137.472%0.72274%0.743SS**  trans66.2172.2131.6-66.7171.8178.61650118.7
275Q30.2Very low28.3Very low150 Ų150140.9 Ų140.970%0.70176%0.756SS**  cis-163.5104.6-43.4-178.3-177.7-20.500109.1
276W27.7Very low28.3Very low210 Ų210141.9 Ų141.980%0.79576%0.758SS**  trans69.9156.4153.4-69.362.8000123.5
277H30.1Very low28.3Very low164 Ų164140.2 Ų140.276%0.75976%0.755SS**  trans75.6148.4166.2-46.8-64.5000115.9
278D25.8Very low28.5Very low147 Ų147139.8 Ų139.879%0.78676%0.756SS**  cis-156.2-167.210.4-172.822.6000110.6
279V26.4Very low28.4Very low122 Ų122141.1 Ų141.174%0.73977%0.765SS**  trans90.9132.2157.7-170.30000115.6
280S29.9Very low28.4Very low105 Ų105141.2 Ų141.273%0.73477%0.77SS**  cis-145.7148.25.442.90000113.9
281V27.4Very low28.6Very low128 Ų128139 Ų13978%0.77677%0.768SS**  trans-71.9149.4159.8174.30000111
282Y26.2Very low28.5Very low223 Ų223144.4 Ų144.488%0.87578%0.78SS**  trans-127129.7162.6-147.8-95.6000110.9
283L32.2Very low28.4Very low157 Ų157146.8 Ų146.882%0.82279%0.786SS**  trans-128.6135.2179.9-151.289.1000108.3
284G27.1Very low29.1Very low73 Ų73145.3 Ų145.375%0.75379%0.788SS**  trans-17291.2-178.800000113.2
285L32.2Very low28.7Very low162 Ų162146.6 Ų146.685%0.84880%0.796SS**  trans-89.5151169.1-69.1167.4000110.2
286T27.1Very low28.7Very low127 Ų127148.4 Ų148.478%0.77980%0.802SS**  trans-168130.5139.6120000113.6
287N26.1Very low28.8Very low151 Ų151146.4 Ų146.481%0.80781%0.806SS**  trans64.2115.7142.8-55.4-14.7000122.4
288C28.1Very low28.5Very low124 Ų124145.8 Ų145.884%0.83881%0.808SS**  trans-81.7168.1150.9-55.80000111.1
289P37.2Very low28.8Very low135 Ų135144.6 Ų144.688%0.87781%0.806SS**  -140.8173.1107.235.9-21.5000115.7
290S24.8Very low28.8Very low118 Ų118146.9 Ų146.983%0.82581%0.808SS**  trans-89.7152.8-168.1173.60000115.3
291S28.3Very low28.5Very low107 Ų107147.5 Ų147.575%0.74881%0.812SS**  trans-159.8118.914763.70000116.2
292K25.7Very low28.6Very low206 Ų206151 Ų15190%0.89682%0.819SS**  trans50.2124134.6-57.2-173.4179.8-177.70123.1
293H24.8Very low28.5Very low179 Ų179147.3 Ų147.383%0.82982%0.815SS**  trans-83.4-177.1153.4-165-130.2000109.8
294P42.7Very low28.3Very low97 Ų97148.4 Ų148.463%0.6382%0.816SS**  cis-120.8-179.1-22.713.411.4000114
295E23.4Very low28.4Very low194 Ų194151.6 Ų151.691%0.90781%0.813SS**  trans-146.6151.2141.6-162.1155.8-158.100111.8
296K30.3Very low28.2Very low188 Ų188149.8 Ų149.882%0.81780%0.8SS**  trans-125.8142.9-176.5-73.3-176174.7-173.40111.4
297L29.4Very low28.2Very low168 Ų168152.7 Ų152.788%0.8880%0.797SS**  trans-143.7122.4147.9-67.5173.9000104.9
298D23.6Very low28.5Very low150 Ų150150.5 Ų150.580%0.80279%0.794SS**  cis91.5151.438-159.327.5000113.8
299V32.7Very low28.4Very low123 Ų123152.4 Ų152.475%0.74579%0.79SS**  trans91.482.4-169.4-169.80000116.4
300E25.3Very low28.1Very low169 Ų169153.8 Ų153.879%0.7979%0.788SS**  47.4100114.5-140.4157.7-162.400118.1
301C24.2Very low28.2Very low119 Ų119153.9 Ų153.980%0.80479%0.789SS**  74.8122.381.4-70.10000116.1
302Q29Very low28.1Very low200 Ų200154.2 Ų154.294%0.93579%0.79SS**  trans-138.9118.9136.5-164.1159.12400110
303D25.4Very low28Very low146 Ų146149.8 Ų149.878%0.78178%0.784SS**  trans-77.5152.3-178.5-99.3-41.8000113.4
304Q27.8Very low28.3Very low181 Ų181149.4 Ų149.485%0.84678%0.782SS**  trans153.1137.6131.1-87.6-171.110.200110.2
305M28.1Very low27.7Very low140 Ų140154.8 Ų154.869%0.6980%0.796SS**  cis-153.1152.6-4.7-177.472.7174.400107.9
306E28.5Very low28Very low124 Ų124152.3 Ų152.358%0.57979%0.789SS**  trans-23.3162.8163.3-43.8178.3159.700117.7
307R27.1Very low28.2Very low187 Ų187152.4 Ų152.471%0.70679%0.792SS**  cis-165.9154.527.9-152168179.3114-3.3111.4
308S31.3Very low28Very low106 Ų106148.4 Ų148.474%0.74178%0.784SS**  trans-90.2145.9161.3-50.40000110.3
309E27.1Very low28.3Very low163 Ų163146.8 Ų146.876%0.76278%0.783SS**  trans-173.1117.8138.7-107.1158.3-157.900114.6
310I31.5Very low28.4Very low164 Ų164149.3 Ų149.384%0.84179%0.791SS**  trans-1.7129.5136.1-35.5161.6000116.4
311S27.1Very low28.7Very low121 Ų121145.2 Ų145.285%0.84679%0.794SS**  trans-159.9155.2133.266.80000112.5
312C24.9Very low29Very low114 Ų114148.7 Ų148.777%0.7780%0.798SS**  trans-116141.5176.2174.50000108.9
313C24.2Very low29.3Very low112 Ų112144.9 Ų144.976%0.75779%0.794SS**  trans161.1103.9137.4-88.30000113.7
314Q31Very low29.7Very low171 Ų171140.7 Ų140.780%0.79979%0.785SS**  26.3115.6127.1-163.7172.927.300119.8
315K29.6Very low30.2Very low211 Ų211140.3 Ų140.392%0.91779%0.785SS**  trans-161.1159.7136.8-110164.4-172.7177.40111
316N30.7Very low30.6Very low142 Ų142139.3 Ų139.376%0.75979%0.791SS**  trans-98.4163.4-156.5-56.8-23.1000114.8
317E33.1Very low31Very low189 Ų189140 Ų14088%0.88380%0.798SS**  trans108.2129.5136.5-155.9156.7-151.100119.6
318A26.8Very low32Very low85 Ų85136.5 Ų136.570%0.70280%0.803SS**  trans62.996.8164.500000120.5
319C28.9Very low32.7Very low116 Ų116140.2 Ų140.278%0.78481%0.805SS**  178.8126.193.9-99.40000114.8
320L35.3Very low34.1Very low176 Ų176135.7 Ų135.792%0.92179%0.791SS**  trans41.5117.1140-63.1166.2000120.7
321G30.3Very low35.2Very low82 Ų82134 Ų13485%0.84579%0.792SS**  trans-179.537.2169.700000115S323G321-S323 PolarHBondContact O-N 2.98Å
322E31.3Very low36.3Very low193 Ų193133.4 Ų133.490%0.90278%0.776SS**  trans-81.7104.8-174.5-170.6170.2-151.700111.8G324E322-G324 PolarHBondContact O-N 3.33Å
323S35Very low37.4Very low119 Ų119132.9 Ų132.983%0.83277%0.771SS**  trans-86.483.3171.7-168.40000110G321 M325G321-S323 PolarHBondContact O-N 2.98Å; S323-M325 PolarHBondContact O-N 3.01Å
324G34.6Very low38.4Very low58 Ų58132.8 Ų132.860%0.59877%0.772SS**  trans-66113174.800000111.6E322 C326E322-G324 PolarHBondContact O-N 3.33Å; G324-C326 PolarHBondContact O-N 2.73Å
325M37.3Very low39.1Very low173 Ų173131.6 Ų131.685%0.85277%0.771SS**  trans-67.5117.7168.3-64.4173.664.400108.9S323 D327S323-M325 PolarHBondContact O-N 3.01Å; M325-D327 PolarHBondContact O-N 3.06Å
326C37.7Very low39.9Very low120 Ų120130 Ų13081%0.81176%0.764SS**  trans-71.887-179.4-72.60000112.4G324 S328G324-C326 PolarHBondContact O-N 2.73Å; C326-S328 PolarHBondContact O-N 3.1Å; C326-S328 PolarHBondContact O-OG 3.29Å
327D36.9Very low40.6Very low137 Ų137130.3 Ų130.373%0.73376%0.764SS**  trans-62.794.6163.7-90.6-10.7000110.2M325 K329M325-D327 PolarHBondContact O-N 3.06Å; D327-K329 PolarHBondContact O-N 3.06Å
328S47.6Very low41.2Very low114 Ų114128.6 Ų128.680%0.79776%0.76SS**  trans-73.376.3176.2-60.40000110.4C326 C330C326-S328 PolarHBondContact O-N 3.1Å; C326-S328 PolarHBondContact O-OG 3.29Å; S328-C330 PolarHBondContact O-N 3.21Å
329K45Very low42.2Very low184 Ų184132.7 Ų132.780%0.876%0.764SS**  trans-66.195172.9-73.7-177.6-178.8173.10109.9D327D327-K329 PolarHBondContact O-N 3.06Å
330C58.4Low42.8Very low69 Ų69131.2 Ų131.247%0.46676%0.761SS.*  trans-54.4141.1166.6-175.70000110S328 H332S328-C330 PolarHBondContact O-N 3.21Å; C330-H332 PolarHBondContact O-N 2.99Å; C330-H332 VanDerWaalsContact SG-CD2 3.51Å
331C54.4Low43.5Very low127 Ų127127.3 Ų127.386%0.85875%0.746SS**SBendtrans-71.626.9-172.3-53.30000115.1
332H50.2Low45.2Very low110 Ų110126.5 Ų126.551%0.50974%0.738SS.*SBendtrans-104.8124.9176.7-64.4-38.1000109.7C330 S334C330-H332 PolarHBondContact O-N 2.99Å; C330-H332 VanDerWaalsContact SG-CD2 3.51Å; H332-S334 PolarHBondContact O-N 3.19Å
333P46.3Very low46.3Very low102 Ų102126.4 Ų126.466%0.66274%0.737SS**  trans-67.199.8177.727.4-33.6000109.7N335 F336P333-N335 PolarHBondContact O-N 3Å; P333-N335 VanDerWaalsContact O-N 3.1Å; P333-F336 HydrophobicContact CG-CE2 4.03Å
334S45.9Very low48.2Very low111 Ų111124.2 Ų124.278%0.77671%0.714SS**  trans-82.223.2-170.245.10000114.8H332H332-S334 PolarHBondContact O-N 3.19Å
335N46.6Very low50.3Low145 Ų145123.9 Ų123.978%0.77570%0.703SS**  trans-147.183.7171.5-88.1-45.9000110.9P333P333-N335 PolarHBondContact O-N 3Å; P333-N335 VanDerWaalsContact O-N 3.1Å
336F46.5Very low51.8Low178 Ų178122 Ų12278%0.78170%0.696SS**  trans-9698.9152.7-90.7-84.6000108.1P333 I338P333-F336 HydrophobicContact CG-CE2 4.03Å; F336-I338 PolarHBondContact O-N 2.82Å
337I45Very low53.6Low148 Ų148121.7 Ų121.776%0.75969%0.69SS**  trans-69.6109.7162.8-60.3173.7000105.7E339I337-E339 VanDerWaalsContact C-N 3.29Å; I337-E339 PolarHBondContact O-N 2.91Å
338I46.2Very low55.4Low154 Ų154119.4 Ų119.479%0.7968%0.675SS**  trans-75.793.8164.8-58177.2000105.6F336 A340F336-I338 PolarHBondContact O-N 2.82Å; I338-A340 PolarHBondContact O-N 3.41Å
339E47.1Very low56.8Low170 Ų170121.4 Ų121.479%0.79467%0.665SS**PPolyproline II helixtrans-57.9126.4170.2-166.3168.4-147.200108.1I337 P341I337-E339 VanDerWaalsContact C-N 3.29Å; I337-E339 PolarHBondContact O-N 2.91Å; E339-P341 WeakPolarHBondContact O-CD 3.45Å
340A41Very low58.1Low86 Ų86118.7 Ų118.771%0.71166%0.657SS**PPolyproline II helixtrans-63125-176.300000109I338 G342I338-A340 PolarHBondContact O-N 3.41Å; A340-G342 PolarHBondContact O-N 3Å; A340-G342 VanDerWaalsContact O-N 3.11Å
341P50.4Low58.5Low93 Ų93118.5 Ų118.560%0.60466%0.657SS**PPolyproline II helixtrans-55.2122.4176.9-26.635.3000110.3E339 M344E339-P341 WeakPolarHBondContact O-CD 3.45Å; P341-M344 HydrophobicContact CB-CG 3.77Å; P341-M344 HydrophobicContact CB-SD 3.56Å; P341-M344 VanDerWaalsContact CB-SD 3.56Å; P341-M344 HydrophobicContact CG-SD 4.2Å
342G66.8Low59.4Low66 Ų66117.8 Ų117.868%0.6864%0.643SS**PPolyproline II helixtrans-57.3158171.800000111A340 M344A340-G342 PolarHBondContact O-N 3Å; A340-G342 VanDerWaalsContact O-N 3.11Å; G342-M344 WeakPolarHBondContact O-CG 3.48Å; G342-M344 PolarHBondContact O-N 2.9Å
343H54.4Low60.2Low191 Ų191119.2 Ų119.288%0.88465%0.648SS**SBendtrans-22.290.8-172.3-174.5-65.2000115.2
344M73.9Confident61.1Low72 Ų72121.4 Ų121.436%0.35565%0.647SS.*  trans-81.5148.8176.6-58.2-154.581.200110.7P341 G342 E348P341-M344 HydrophobicContact CB-CG 3.77Å; P341-M344 HydrophobicContact CB-SD 3.56Å; P341-M344 VanDerWaalsContact CB-SD 3.56Å; P341-M344 HydrophobicContact CG-SD 4.2Å; G342-M344 WeakPolarHBondContact O-CG 3.48Å; G342-M344 PolarHBondContact O-N 2.9Å; M344-E348 HydrophobicContact CE-CB 3.82Å
345S78.1Confident61Low51 Ų51122 Ų12236%0.35765%0.648SS.*  trans-78.7152.917168.80000111.7V347 E348 W349S345-V347 PolarHBondContact O-N 2.91Å; S345-V347 VanDerWaalsContact O-N 3.09Å; S345-E348 WeakPolarHBondContact CB-OE2 3.42Å; S345-E348 PolarHBondContact N-OE2 2.92Å; S345-E348 PolarHBondContact O-N 2.8Å; S345-E348 VanDerWaalsContact OG-CD 3.3Å; S345-E348 WeakPolarHBondContact OG-CG 3.46Å; S345-E348 PolarHBondContact OG-OE2 3.44Å; S345-W349 PolarHBondContact O-N 3.37Å
346D69.5Low61.1Low134 Ų134120.4 Ų120.472%0.71765%0.649SS**Hα-helixtrans-53.6-33.5177.9-67.2-12.3000112.7W349 M350D346-W349 PolarHBondContact O-N 3.49Å; D346-M350 WeakPolarHBondContact O-CB 3.34Å; D346-M350 VanDerWaalsContact O-CG 3.24Å; D346-M350 WeakPolarHBondContact O-CG 3.41Å; D346-M350 PolarHBondContact O-N 3.16Å
347V75.9Confident61.3Low113 Ų113122 Ų12269%0.68566%0.655SS**Hα-helixtrans-65.1-40.5178.41760000111.6S345 S351S345-V347 PolarHBondContact O-N 2.91Å; S345-V347 VanDerWaalsContact O-N 3.09Å; V347-S351 WeakPolarHBondContact O-CB 3.29Å; V347-S351 PolarHBondContact O-N 2.88Å
348E74.9Confident61.4Low89 Ų89123.9 Ų123.942%0.41666%0.663SS.*Hα-helixtrans-71.6-41.6177.3-66.4161.5125.600110.5M344 S345 M350 S351 I352M344-E348 HydrophobicContact CE-CB 3.82Å; S345-E348 WeakPolarHBondContact CB-OE2 3.42Å; S345-E348 PolarHBondContact N-OE2 2.92Å; S345-E348 PolarHBondContact O-N 2.8Å; S345-E348 VanDerWaalsContact OG-CD 3.3Å; S345-E348 WeakPolarHBondContact OG-CG 3.46Å; S345-E348 PolarHBondContact OG-OE2 3.44Å; E348-M350 PolarHBondContact O-N 3.18Å; E348-S351 WeakPolarHBondContact O-CB 3.43Å; E348-S351 PolarHBondContact O-N 3.26Å; E348-S351 VanDerWaalsContact O-N 3.11Å; E348-S351 PolarHBondContact O-OG 3.24Å; E348-I352 PolarHBondContact O-N 2.93Å
349W77.1Confident61.1Low157 Ų157124.9 Ų124.960%0.59566%0.664SS**Hα-helixtrans-61.6-45.1176.3-153.889.5000112.2S345 D346 S351 I352 F353S345-W349 PolarHBondContact O-N 3.37Å; D346-W349 PolarHBondContact O-N 3.49Å; W349-S351 PolarHBondContact O-N 3.09Å; W349-I352 PolarHBondContact O-N 2.87Å; W349-F353 HydrophobicContact CD2-CE2 4.18Å; W349-F353 HydrophobicContact CE3-CD2 4.14Å; W349-F353 AromaticContact CE3-CE2 3.82Å; W349-F353 HydrophobicContact CE3-CE2 3.82Å; W349-F353 AromaticContact CH2-CE2 3.64Å; W349-F353 HydrophobicContact CH2-CE2 3.64Å; W349-F353 HydrophobicContact CH2-CZ 4.13Å; W349-F353 AromaticContact CZ2-CE2 4Å; W349-F353 HydrophobicContact CZ2-CE2 4Å; W349-F353 HydrophobicContact CZ2-CZ 4.44Å; W349-F353 HydrophobicContact CZ3-CD2 4.02Å; W349-F353 AromaticContact CZ3-CE2 3.54Å; W349-F353 HydrophobicContact CZ3-CE2 3.54Å; W349-F353 HydrophobicContact CZ3-CZ 4.42Å; W349-F353 WeakPolarHBondContact O-CD2 3.41Å
350M71.5Confident60.8Low127 Ų127127.7 Ų127.763%0.62667%0.668SS**Hα-helixtrans-66.5-21.8175.4-72.5-174.479.500113.6D346 E348D346-M350 WeakPolarHBondContact O-CB 3.34Å; D346-M350 VanDerWaalsContact O-CG 3.24Å; D346-M350 WeakPolarHBondContact O-CG 3.41Å; D346-M350 PolarHBondContact O-N 3.16Å; E348-M350 PolarHBondContact O-N 3.18Å
351S66.7Low60.6Low65 Ų65130.1 Ų130.146%0.45567%0.667SS.*Hα-helixtrans-76.8-25.7-179.876.80000113.2V347 E348 W349 F353 K354V347-S351 WeakPolarHBondContact O-CB 3.29Å; V347-S351 PolarHBondContact O-N 2.88Å; E348-S351 WeakPolarHBondContact O-CB 3.43Å; E348-S351 PolarHBondContact O-N 3.26Å; E348-S351 VanDerWaalsContact O-N 3.11Å; E348-S351 PolarHBondContact O-OG 3.24Å; W349-S351 PolarHBondContact O-N 3.09Å; S351-F353 PolarHBondContact O-N 3.3Å; S351-K354 PolarHBondContact O-N 2.96Å
352I73.9Confident59.9Low111 Ų111130.2 Ų130.257%0.56967%0.666SS**Hα-helixtrans-60.1-36.1172.6-59.1169.1000111E348 W349E348-I352 PolarHBondContact O-N 2.93Å; W349-I352 PolarHBondContact O-N 2.87Å
353F66.5Low58.6Low140 Ų140138 Ų13861%0.61468%0.675SS**THydrogen-bonded Turntrans-94.93.8-176.9-60.6-77.3000114.2W349 S351 P355W349-F353 HydrophobicContact CD2-CE2 4.18Å; W349-F353 HydrophobicContact CE3-CD2 4.14Å; W349-F353 AromaticContact CE3-CE2 3.82Å; W349-F353 HydrophobicContact CE3-CE2 3.82Å; W349-F353 AromaticContact CH2-CE2 3.64Å; W349-F353 HydrophobicContact CH2-CE2 3.64Å; W349-F353 HydrophobicContact CH2-CZ 4.13Å; W349-F353 AromaticContact CZ2-CE2 4Å; W349-F353 HydrophobicContact CZ2-CE2 4Å; W349-F353 HydrophobicContact CZ2-CZ 4.44Å; W349-F353 HydrophobicContact CZ3-CD2 4.02Å; W349-F353 AromaticContact CZ3-CE2 3.54Å; W349-F353 HydrophobicContact CZ3-CE2 3.54Å; W349-F353 HydrophobicContact CZ3-CZ 4.42Å; W349-F353 WeakPolarHBondContact O-CD2 3.41Å; S351-F353 PolarHBondContact O-N 3.3Å; F353-P355 VanDerWaalsContact O-CD 3.28Å; F353-P355 WeakPolarHBondContact O-CD 3.39Å
354K66.1Low57.7Low148 Ų148136.3 Ų136.364%0.64367%0.671SS**SBendtrans-75.9117.2173-81.6179.2179.1171.60109.8S351 S356S351-K354 PolarHBondContact O-N 2.96Å; K354-S356 PolarHBondContact O-N 3.06Å
355P43.4Very low56Low124 Ų124142.5 Ų142.581%0.80570%0.696SS**  trans-66.8108.1173.327.6-32.9000109.1F353F353-P355 VanDerWaalsContact O-CD 3.28Å; F353-P355 WeakPolarHBondContact O-CD 3.39Å
356S47.8Very low54.4Low112 Ų112145 Ų14578%0.78371%0.714SS**  trans-64.2136.2173560000109.5K354 M358K354-S356 PolarHBondContact O-N 3.06Å; S356-M358 PolarHBondContact O-N 3.01Å
357K50.5Low53Low211 Ų211141.3 Ų141.392%0.91771%0.707SS**SBendtrans-68.8107-177.3-72.7-178.4178.5178.30110
358M48.6Very low51.5Low187 Ų187139.3 Ų139.392%0.92170%0.698SS**SBendtrans6770.1151.9-161.6157.7171.800116.9S356S356-M358 PolarHBondContact O-N 3.01Å
359Q38.2Very low50.2Low176 Ų176141.9 Ų141.982%0.82272%0.72SS**  trans-139.7109.4141.1-124173.66.200110.4I361Q359-I361 VanDerWaalsContact C-N 3.33Å; Q359-I361 PolarHBondContact O-N 2.92Å
360R40.7Very low48.5Very low229 Ų229138.6 Ų138.686%0.86472%0.72SS**  trans-75.785.2179.6-173.9-164.8-65157.5-0.8108.9V362R360-V362 HydrophobicContact CG-CG2 3.9Å; R360-V362 PolarHBondContact O-N 3.25Å
361I37.6Very low47.4Very low136 Ų136138 Ų13870%0.69773%0.728SS**  trans-69.887.2167.1-55.4178.8000107.6Q359 R363Q359-I361 VanDerWaalsContact C-N 3.33Å; Q359-I361 PolarHBondContact O-N 2.92Å; I361-R363 VanDerWaalsContact C-N 3.34Å; I361-R363 HydrophobicContact CG2-CG 4.33Å; I361-R363 PolarHBondContact O-N 3.14Å
362V36.2Very low46.1Very low96 Ų96143.2 Ų143.258%0.58275%0.745SS**  trans-64.5101.2160.51800000105.7R360 L364R360-V362 HydrophobicContact CG-CG2 3.9Å; R360-V362 PolarHBondContact O-N 3.25Å; V362-L364 VanDerWaalsContact C-N 3.25Å; V362-L364 PolarHBondContact O-N 3Å
363R39.9Very low44.2Very low229 Ų229143.8 Ų143.886%0.86476%0.759SS**  trans-65.295.2164.7-77.4-171.5172.498.8-3.4107.1I361 K365I361-R363 VanDerWaalsContact C-N 3.34Å; I361-R363 HydrophobicContact CG2-CG 4.33Å; I361-R363 PolarHBondContact O-N 3.14Å; R363-K365 PolarHBondContact O-N 3.01Å
364L35.6Very low42.8Very low155 Ų155144 Ų14481%0.81277%0.765SS**  trans-54.7124.2167.2-80.1161.5000107.7V362 S366V362-L364 VanDerWaalsContact C-N 3.25Å; V362-L364 PolarHBondContact O-N 3Å; L364-S366 PolarHBondContact O-N 3.15Å
365K38.2Very low41.4Very low202 Ų202143.3 Ų143.388%0.87878%0.778SS**  trans-66.396.5175.3-179.3-179.9178.1-179.70108R363 G367R363-K365 PolarHBondContact O-N 3.01Å; K365-G367 VanDerWaalsContact C-N 3.31Å; K365-G367 PolarHBondContact O-N 2.85Å
366S43.4Very low40.7Very low103 Ų103140.7 Ų140.772%0.7277%0.773SS**  trans-66.589.8169.658.50000108.9L364 C368L364-S366 PolarHBondContact O-N 3.15Å; S366-C368 PolarHBondContact O-N 2.95Å
367G40Very low39.9Very low57 Ų57141.5 Ų141.559%0.58877%0.773SS**  trans-70.1125.4168.200000109.1K365 T369K365-G367 VanDerWaalsContact C-N 3.31Å; K365-G367 PolarHBondContact O-N 2.85Å; G367-T369 PolarHBondContact O-N 3.32Å
368C43.8Very low39.2Very low71 Ų71138.4 Ų138.448%0.4876%0.762SS.*  trans-69.6116.6169.6-1740000108.8S366 C370S366-C368 PolarHBondContact O-N 2.95Å; C368-C370 HydrophobicContact CB-CB 4.48Å; C368-C370 WeakPolarHBondContact CB-SG 3.09Å; C368-C370 PolarHBondContact O-N 3.23Å; C368-C370 VanDerWaalsContact O-N 3.13Å; C368-C370 WeakPolarHBondContact SG-CB 3.49Å; C368-C370 CovalentContact SG-SG 2.05Å; C368-C370 PolarHBondContact SG-SG 3.23Å
369T48.2Very low38.3Very low143 Ų143136.5 Ų136.588%0.87775%0.75SS**  trans-85.148.517052.60000110.5G367 S371G367-T369 PolarHBondContact O-N 3.32Å; T369-S371 PolarHBondContact O-N 3.32Å
370C42.4Very low37.9Very low88 Ų88134.7 Ų134.760%0.59575%0.746SS**  trans-90.782.6178.734.50000110.4C368C368-C370 HydrophobicContact CB-CB 4.48Å; C368-C370 WeakPolarHBondContact CB-SG 3.09Å; C368-C370 PolarHBondContact O-N 3.23Å; C368-C370 VanDerWaalsContact O-N 3.13Å; C368-C370 WeakPolarHBondContact SG-CB 3.49Å; C368-C370 CovalentContact SG-SG 2.05Å; C368-C370 PolarHBondContact SG-SG 3.23Å
371S48.3Very low37.4Very low115 Ų115129.4 Ų129.480%0.80475%0.745SS**  trans-137.5150.8171.6-70.80000111.2T369T369-S371 PolarHBondContact O-N 3.32Å
372E39.7Very low37.7Very low175 Ų175129.1 Ų129.182%0.81875%0.752SS**  trans76.276.4158.2-152.3158.4-121.700118I374E372-I374 HydrophobicContact CG-CG1 4.28Å
373S33.2Very low37.1Very low122 Ų122129.1 Ų129.185%0.85376%0.762SS**  trans-92.589.815764.40000110.8
374I36.2Very low36.7Very low144 Ų144123.8 Ų123.874%0.73876%0.759SS**  trans-70.5124.9157.6-65.2173.3000106.8E372 G376E372-I374 HydrophobicContact CG-CG1 4.28Å; I374-G376 PolarHBondContact O-N 3.49Å
375C37.3Very low36.3Very low135 Ų135125.7 Ų125.791%0.91276%0.764SS**  trans-70.7114.7178.6-170.50000110
376G29.6Very low35.9Very low68 Ų68123.8 Ų123.870%0.70176%0.763SS**  trans-142.4108.2179.600000110.8I374I374-G376 PolarHBondContact O-N 3.49Å
377T30.7Very low35.3Very low129 Ų129126.8 Ų126.879%0.79177%0.769SS**  trans-31.8134.5177.524.90000118.5
378Q34.9Very low34.7Very low146 Ų146128.1 Ų128.168%0.68278%0.775SS**  trans56.3111.7134.5-62.3-8654.700119.3
379H30.3Very low34.2Very low147 Ų147132.3 Ų132.368%0.68179%0.791SS**  174.4133.296.4-96.1-73.8000113
380D29.7Very low33.2Very low138 Ų138134.1 Ų134.174%0.73879%0.789SS**  trans47.1122.1144.8-49.3-36000122.6
381S29.1Very low32.6Very low118 Ų118136.8 Ų136.883%0.82580%0.797SS**  trans-87.2156.3158-46.80000110.1
382P44Very low31.6Very low131 Ų131135.9 Ų135.985%0.85179%0.791SS**  -144.9-167.372.143.5-24.8000111.5
383A25.2Very low31.1Very low96 Ų96135.9 Ų135.979%0.79379%0.791SS**  cis-148.7172.36.300000110.1
384S31.3Very low30.8Very low116 Ų116134.8 Ų134.881%0.81178%0.783SS**  trans-59.1148.7176.2-48.60000115
385E26.4Very low30.5Very low196 Ų196136.4 Ų136.492%0.91679%0.792SS**  -161.2132.1122.6-113.1170.6-161.900112.7
386L31Very low29.9Very low162 Ų162133.8 Ų133.885%0.84879%0.789SS**  trans-82.8144.1161.6-87.7151.4000107.9
387I30.2Very low29.9Very low165 Ų165135.8 Ų135.885%0.84679%0.792SS**  trans178.5148.5135.3-96.4153.9000113.5
388A26.2Very low29.8Very low86 Ų86134.5 Ų134.571%0.71179%0.788SS**  trans55.4122.6157.500000122.6
389I35.2Very low29.4Very low159 Ų159136.8 Ų136.882%0.81580%0.796SS**  trans-56.9134.8142.5-61.5157.5000109.4
390Q26.8Very low29.1Very low181 Ų181135.4 Ų135.485%0.84680%0.803SS**  trans-146114.1155.3-159171.127.700111.7
391D28.9Very low29Very low143 Ų143133.5 Ų133.577%0.76581%0.806SS**  trans-70.3138.2163.2-70.4-62.6000110.2
392S28Very low28.8Very low97 Ų97135.4 Ų135.468%0.67881%0.806SS**  trans-176.5121.7135.231.60000114.8
393H28.1Very low28.3Very low174 Ų174138.5 Ų138.581%0.80680%0.801SS**  trans25.2119134.1-55.3-73.3000122.3
394S27.3Very low28.5Very low99 Ų99140 Ų14069%0.69279%0.791SS**  83.8129.2118.873.70000122.7
395L31.4Very low28.3Very low178 Ų178140.1 Ų140.193%0.93278%0.783SS**  trans64.8125.3144.4-63.5165000119.7
396G24.2Very low28.5Very low81 Ų81138.3 Ų138.384%0.83577%0.774SS**  trans173.361.9171.600000118.9
397S29.1Very low28.5Very low110 Ų110137.3 Ų137.377%0.76978%0.776SS**  trans-1.4139.8155.2-159.90000122.3
398S28.3Very low28.4Very low102 Ų102137.8 Ų137.871%0.71377%0.774SS**  trans89.5102.9140.2-68.10000124.1
399K26.9Very low28.5Very low194 Ų194138.2 Ų138.284%0.84377%0.772SS**  72.9145.6104.8-153.8175.4-174.6-177.90121.5
400S24.8Very low28.1Very low118 Ų118136.1 Ų136.183%0.82577%0.771SS**  trans80.9147.7173.779.30000115.6
401A26.7Very low28.2Very low97 Ų97132.6 Ų132.680%0.80277%0.767SS**  cis-133.2152.27.900000113.3
402L25.9Very low28.2Very low159 Ų159132.3 Ų132.383%0.83277%0.765SS**  trans-110.4140.9167.8178.974000107.7
403R33.1Very low28.5Very low196 Ų196136.9 Ų136.974%0.7477%0.773SS**  trans-132.2127.8161.4-65.5-72.9-81.9179.4-4.8104.9
404E28.1Very low28.7Very low126 Ų126136 Ų13659%0.58977%0.767SS**  58119.270.1-65.9174.9161.900109.4
405D28.6Very low28.7Very low120 Ų120138.5 Ų138.564%0.64277%0.772SS**  cis-155.6155.618.7-100.3-28.3000115.8
406E30.1Very low28.4Very low157 Ų157135.6 Ų135.673%0.73477%0.767SS**  trans57.5129.2134.9-64176.2149.900123.5
407T31.3Very low29.8Very low142 Ų142137.5 Ų137.587%0.87176%0.764SS**  -160.6118.5106.3-670000109.8
408E27.7Very low29.8Very low174 Ų174138.3 Ų138.381%0.81377%0.765SS**  trans-76.1170.2172.2-53.6-166.1130.800111.1
409S28Very low29.8Very low96 Ų96138.2 Ų138.267%0.67176%0.764SS**  cis-177148.942.449.60000114.8
410S27.4Very low30Very low114 Ų114135.9 Ų135.980%0.79776%0.76SS**  trans67.2153.314888.90000119.9
411S29.1Very low30.3Very low107 Ų107137.2 Ų137.275%0.74876%0.757SS**  cis-147.5116.69.653.50000115.3
412N29.3Very low30.3Very low138 Ų138139.2 Ų139.274%0.73875%0.753SS**  35.1112.1129.3-164.54.1000122
413K32.6Very low30.4Very low192 Ų192141 Ų14184%0.83575%0.75SS**  -160.6101.4124.9-123.9174.2-178.2172.60116.1
414K32.2Very low30.1Very low156 Ų156141.4 Ų141.468%0.67876%0.757SS**  60.9111.8129.3-71.4-166.8177.6-170.40122.7
415N27.8Very low30.1Very low151 Ų151141.6 Ų141.681%0.80776%0.763SS**  111124.5129.7-58.2-7.3000119.3
416S26.4Very low30.2Very low118 Ų118140.2 Ų140.283%0.82577%0.767SS**  trans-131.5-169.4169.3-53.10000108.1
417P52.9Low30.6Very low120 Ų120139 Ų13978%0.77977%0.774SS**  -128.1176.5-63.136.5-20.8000112.9
418T28.6Very low30.8Very low127 Ų127136.4 Ų136.478%0.77977%0.766SS**  trans-156.9114.4166.3-43.40000107.2
419S28.3Very low30.7Very low100 Ų100137.3 Ų137.370%0.69977%0.768SS**  56.3142.778.3115.20000113.5
420L30.4Very low30.9Very low145 Ų145138.6 Ų138.676%0.75977%0.767SS**  cis-161.9150-8.4-119.5167.2000108.7
421L30.9Very low31Very low146 Ų146139.5 Ų139.576%0.76476%0.759SS**  trans9.9152.1151.4-85.3170.9000124.6
422I27.8Very low31.4Very low139 Ų139143 Ų14371%0.71376%0.761SS**  trans114.1112.6143.4-74.4145.8000120.5
423Y27.4Very low31.5Very low196 Ų196140.6 Ų140.677%0.76976%0.76SS**  trans32.4135.8145.1-72.7-99.4000123.6
424K27.8Very low31.3Very low205 Ų205136.9 Ų136.989%0.89176%0.758SS**  -164.6147.6101.9-119.6-173.4175.9-172.80115.7
425D26.9Very low31.6Very low131 Ų131136.2 Ų136.270%0.70176%0.76SS**  trans-82.3153.6175.1-68.2-68.6000114.6
426A31.8Very low32Very low90 Ų90134.6 Ų134.674%0.74476%0.756SS**  trans38.3153.2138.100000122.1
427P38.9Very low32.3Very low133 Ų133135.6 Ų135.686%0.86475%0.751SS**  -131.4162.385.337.4-27.8000114.8
428A33.7Very low31.6Very low87 Ų87135.7 Ų135.772%0.71975%0.752SS**  trans-91.1166.9-17200000114.3
429F26.2Very low32.3Very low192 Ų192134 Ų13484%0.84275%0.745SS**  trans-143.7162.6139.4-123.6-96.7000110.1
430N31.7Very low33Very low123 Ų123138.2 Ų138.266%0.65875%0.754SS**  trans-65.3174.8-175.855.523.5000113
431E29.7Very low33.5Very low134 Ų134133.6 Ų133.663%0.62673%0.73SS**  cis-163.3153.932.9-173.3174.5173.900112
432K38.1Very low34.3Very low180 Ų180134.1 Ų134.178%0.78373%0.733SS**  trans15105162.5-59.6164-171.4146.50119.5
433A32Very low36Very low87 Ų87132.3 Ų132.372%0.71972%0.72SS**  trans-173.592.5135.100000110.6I435A433-I435 PolarHBondContact O-N 2.92Å
434S28Very low38.3Very low115 Ų115126.9 Ų126.980%0.80471%0.712SS**  trans-81.286.5171.9-162.60000109.9V436S434-V436 VanDerWaalsContact C-N 3.31Å; S434-V436 PolarHBondContact O-N 2.83Å
435I37.3Very low40.7Very low141 Ų141122.4 Ų122.472%0.72370%0.703SS**  trans-7393.1164.3-58.5177.1000106.7A433 L437A433-I435 PolarHBondContact O-N 2.92Å; I435-L437 HydrophobicContact CG2-CD1 4.21Å; I435-L437 PolarHBondContact O-N 2.05Å
436V37.3Very low43.5Very low118 Ų118120.5 Ų120.572%0.71570%0.697SS**  trans-72.797.9170178.90000107.6S434S434-V436 VanDerWaalsContact C-N 3.31Å; S434-V436 PolarHBondContact O-N 2.83Å
437L32.1Very low46Very low138 Ų138118.1 Ų118.172%0.72368%0.675SS**PPolyproline II helixtrans-59.9133.5158.4-84.485.3000107.7I435 S439I435-L437 HydrophobicContact CG2-CD1 4.21Å; I435-L437 PolarHBondContact O-N 2.05Å; L437-S439 PolarHBondContact O-N 3.3Å; L437-S439 VanDerWaalsContact O-N 3.17Å
438P39Very low48.4Very low123 Ų123116.5 Ų116.580%0.79965%0.654SS**PPolyproline II helixtrans-65.7117.2168.9-1024.4000108.4
439S41.9Very low51.1Low90 Ų90117.2 Ų117.263%0.62965%0.645SS**PPolyproline II helixtrans-60.2147.4165.8470000110.1L437 D441L437-S439 PolarHBondContact O-N 3.3Å; L437-S439 VanDerWaalsContact O-N 3.17Å; S439-D441 PolarHBondContact O-N 3.47Å
440Q44.6Very low54.3Low189 Ų189114 Ų11488%0.88363%0.633SS**  trans-62.4102.4172.2-115.9170.3-24.400109.7D442Q440-D442 PolarHBondContact O-N 2.83Å
441D40.8Very low57.3Low48 Ų48113.6 Ų113.626%0.25762%0.622SS.*  trans-80.582.1-178.3-86.44000111.6S439 F443 R451S439-D441 PolarHBondContact O-N 3.47Å; D441-F443 HydrophobicContact CB-CD2 3.6Å; D441-F443 HydrophobicContact CB-CE2 4Å; D441-F443 HydrophobicContact CB-CG 4.38Å; D441-F443 PolarHBondContact O-N 2.92Å; D441-F443 WeakPolarHBondContact OD1-CE2 3.07Å; D441-F443 VanDerWaalsContact OD2-CD2 3.32Å; D441-F443 WeakPolarHBondContact OD2-CD2 3.38Å; D441-F443 VanDerWaalsContact OD2-CE2 3.31Å; D441-F443 WeakPolarHBondContact OD2-CE2 3.39Å; D441-R451 IonicContact OD2-CZ 3.28Å; D441-R451 VanDerWaalsContact OD2-CZ 3.22Å; D441-R451 IonicContact OD2-NH1 3.22Å; D441-R451 PolarHBondContact OD2-NH1 3.39Å; D441-R451 IonicContact OD2-NH2 3.92Å; D441-R451 PolarHBondContact OD2-NH2 3.08Å
442D47.5Very low60.4Low157 Ų157112.3 Ų112.384%0.8462%0.619SS**  trans-70.548.5162-79.3-30.9000111.7Q440Q440-D442 PolarHBondContact O-N 2.83Å
443F62.8Low63.1Low101 Ų101107.3 Ų107.344%0.44360%0.6SS.*  trans-84.6125.6175.4-71.7-43.2000111.1D441 K448D441-F443 HydrophobicContact CB-CD2 3.6Å; D441-F443 HydrophobicContact CB-CE2 4Å; D441-F443 HydrophobicContact CB-CG 4.38Å; D441-F443 PolarHBondContact O-N 2.92Å; D441-F443 WeakPolarHBondContact OD1-CE2 3.07Å; D441-F443 VanDerWaalsContact OD2-CD2 3.32Å; D441-F443 WeakPolarHBondContact OD2-CD2 3.38Å; D441-F443 VanDerWaalsContact OD2-CE2 3.31Å; D441-F443 WeakPolarHBondContact OD2-CE2 3.39Å; F443-K448 HydrophobicContact CB-CG 4.41Å; F443-K448 VanDerWaalsContact O-CE 3.28Å; F443-K448 WeakPolarHBondContact O-CE 3.32Å
444S75.9Confident66Low83 Ų83106 Ų10658%0.5859%0.589SS**  trans-45.6147.1173.1-54.40000111.9T446 S447 K448S444-T446 PolarHBondContact O-N 2.84Å; S444-S447 WeakPolarHBondContact O-CB 3.44Å; S444-S447 PolarHBondContact O-N 3.14Å; S444-K448 PolarHBondContact O-N 3.42Å
445P78.1Confident69.2Low110 Ų110105.8 Ų105.871%0.71458%0.575SS**Hα-helixtrans-48.5-37.4-175.8-30.935.6000114.6S447 K448 L449P445-S447 PolarHBondContact O-N 2.89Å; P445-K448 PolarHBondContact O-N 3.37Å; P445-L449 PolarHBondContact O-N 3.42Å
446T85.8Confident71.9Confident92 Ų92102.2 Ų102.256%0.56456%0.563SS**Hα-helixtrans-59.8-39175.8-42.50000113.8S444 L449 Q450S444-T446 PolarHBondContact O-N 2.84Å; T446-L449 PolarHBondContact O-N 3.45Å; T446-Q450 WeakPolarHBondContact O-CB 3.41Å; T446-Q450 VanDerWaalsContact O-CG 3.28Å; T446-Q450 WeakPolarHBondContact O-CG 3.47Å; T446-Q450 PolarHBondContact O-N 3.23Å
447S83.6Confident74.7Confident40 Ų40104.5 Ų104.528%0.2856%0.559SS.*Hα-helixtrans-73.1-38.3179.6166.70000111.3S444 P445 L449 Q450 R451S444-S447 WeakPolarHBondContact O-CB 3.44Å; S444-S447 PolarHBondContact O-N 3.14Å; P445-S447 PolarHBondContact O-N 2.89Å; S447-L449 PolarHBondContact O-N 3.41Å; S447-Q450 PolarHBondContact O-N 2.97Å; S447-R451 WeakPolarHBondContact O-CB 3.41Å; S447-R451 PolarHBondContact O-N 2.96Å
448K90.2Very high77.7Confident99 Ų99103 Ų10343%0.4355%0.548SS..Hα-helixtrans-60.1-45.1170.9-67.4-179.1178.9175.50111.1F443 S444 P445 R451 L452F443-K448 HydrophobicContact CB-CG 4.41Å; F443-K448 VanDerWaalsContact O-CE 3.28Å; F443-K448 WeakPolarHBondContact O-CE 3.32Å; S444-K448 PolarHBondContact O-N 3.42Å; P445-K448 PolarHBondContact O-N 3.37Å; K448-R451 PolarHBondContact O-N 3.21Å; K448-L452 WeakPolarHBondContact O-CG 3.35Å; K448-L452 PolarHBondContact O-N 3.33Å
449L90.9Very high80.3Confident101 Ų101103.2 Ų103.253%0.52954%0.54SS..Hα-helixtrans-63.1-43.7174.8-179.761.7000112.6P445 T446 S447 R451 L452 L453P445-L449 PolarHBondContact O-N 3.42Å; T446-L449 PolarHBondContact O-N 3.45Å; S447-L449 PolarHBondContact O-N 3.41Å; L449-R451 PolarHBondContact O-N 3.07Å; L449-L452 PolarHBondContact O-N 3.03Å; L449-L453 HydrophobicContact CD1-CD1 4.06Å; L449-L453 HydrophobicContact CD1-CG 4.1Å; L449-L453 HydrophobicContact CG-CD1 3.91Å; L449-L453 HydrophobicContact CG-CG 4.38Å; L449-L453 WeakPolarHBondContact O-CB 3.38Å; L449-L453 VanDerWaalsContact O-CG 3.25Å; L449-L453 WeakPolarHBondContact O-CG 3.49Å; L449-L453 PolarHBondContact O-N 3.13Å
450Q92.9Very high82.6Confident126 Ų126102.3 Ų102.359%0.58953%0.531SS*.Hα-helixtrans-61.9-41.1177.1-78.5172.5-1600112.3T446 S447 L453 A454T446-Q450 WeakPolarHBondContact O-CB 3.41Å; T446-Q450 VanDerWaalsContact O-CG 3.28Å; T446-Q450 WeakPolarHBondContact O-CG 3.47Å; T446-Q450 PolarHBondContact O-N 3.23Å; S447-Q450 PolarHBondContact O-N 2.97Å; Q450-L453 PolarHBondContact O-N 3.35Å; Q450-A454 WeakPolarHBondContact O-CB 3.41Å; Q450-A454 PolarHBondContact O-N 2.89Å
451R94.8Very high84.6Confident113 Ų11396 Ų9643%0.42651%0.505SS..Hα-helixtrans-61.7-51.2173.8171.9163.953.1-171.6-7.1111.5D441 S447 K448 L449 L453 A454 E455D441-R451 IonicContact OD2-CZ 3.28Å; D441-R451 VanDerWaalsContact OD2-CZ 3.22Å; D441-R451 IonicContact OD2-NH1 3.22Å; D441-R451 PolarHBondContact OD2-NH1 3.39Å; D441-R451 IonicContact OD2-NH2 3.92Å; D441-R451 PolarHBondContact OD2-NH2 3.08Å; S447-R451 WeakPolarHBondContact O-CB 3.41Å; S447-R451 PolarHBondContact O-N 2.96Å; K448-R451 PolarHBondContact O-N 3.21Å; L449-R451 PolarHBondContact O-N 3.07Å; R451-L453 VanDerWaalsContact C-N 3.29Å; R451-L453 PolarHBondContact O-N 2.89Å; R451-A454 WeakPolarHBondContact O-CB 3.4Å; R451-A454 PolarHBondContact O-N 3.17Å; R451-E455 WeakPolarHBondContact O-CB 3.22Å; R451-E455 PolarHBondContact O-N 2.98Å
452L94.5Very high86.7Confident107 Ų10797.2 Ų97.256%0.5651%0.512SS*.Hα-helixtrans-60.9-36.7178.1-70.6170000112.4K448 L449 S456K448-L452 WeakPolarHBondContact O-CG 3.35Å; K448-L452 PolarHBondContact O-N 3.33Å; L449-L452 PolarHBondContact O-N 3.03Å; L452-S456 WeakPolarHBondContact O-CB 3.46Å; L452-S456 PolarHBondContact O-N 3.33Å
453L95.1Very high88.6Confident76 Ų7695.3 Ų95.340%0.39850%0.501SS..Hα-helixtrans-71.3-27174.4-72.9173000113.3L449 Q450 R451 R457L449-L453 HydrophobicContact CD1-CD1 4.06Å; L449-L453 HydrophobicContact CD1-CG 4.1Å; L449-L453 HydrophobicContact CG-CD1 3.91Å; L449-L453 HydrophobicContact CG-CG 4.38Å; L449-L453 WeakPolarHBondContact O-CB 3.38Å; L449-L453 VanDerWaalsContact O-CG 3.25Å; L449-L453 WeakPolarHBondContact O-CG 3.49Å; L449-L453 PolarHBondContact O-N 3.13Å; Q450-L453 PolarHBondContact O-N 3.35Å; R451-L453 VanDerWaalsContact C-N 3.29Å; R451-L453 PolarHBondContact O-N 2.89Å; L453-R457 WeakPolarHBondContact O-CD 3.33Å; L453-R457 WeakPolarHBondContact O-CG 3.47Å; L453-R457 PolarHBondContact O-N 3.38Å; L453-R457 PolarHBondContact O-NE 2.92Å; L453-R457 VanDerWaalsContact O-NE 3.09Å
454A93.5Very high89.5Confident58 Ų5895.7 Ų95.748%0.47950%0.504SS..Hα-helixtrans-76.8-44.3172.800000110.9Q450 R451 R457 Q458Q450-A454 WeakPolarHBondContact O-CB 3.41Å; Q450-A454 PolarHBondContact O-N 2.89Å; R451-A454 WeakPolarHBondContact O-CB 3.4Å; R451-A454 PolarHBondContact O-N 3.17Å; A454-R457 PolarHBondContact O-N 3.27Å; A454-Q458 PolarHBondContact O-N 3.31Å
455E94.4Very high89.6Confident111 Ų11197 Ų9752%0.51950%0.504SS..Hα-helixtrans-62.6-42.9176.9-172.9172.8-170.800112R451 R457 Q458 M459R451-E455 WeakPolarHBondContact O-CB 3.22Å; R451-E455 PolarHBondContact O-N 2.98Å; E455-R457 VanDerWaalsContact C-N 3.35Å; E455-R457 PolarHBondContact O-N 3.38Å; E455-Q458 PolarHBondContact O-N 3.43Å; E455-M459 WeakPolarHBondContact O-CB 3.03Å; E455-M459 PolarHBondContact O-N 2.91Å
456S95Very high89.5Confident67 Ų6795.6 Ų95.647%0.46950%0.496SS..Hα-helixtrans-62.3-38.5172.9170.70000112.6L452 V460L452-S456 WeakPolarHBondContact O-CB 3.46Å; L452-S456 PolarHBondContact O-N 3.33Å; S456-V460 WeakPolarHBondContact O-CG2 3.44Å; S456-V460 PolarHBondContact O-N 3.27Å
457R95.8Very high88.5Confident166 Ų16696.3 Ų96.363%0.62650%0.501SS*.Hα-helixtrans-66.7-42.5174.3-73169.7-144.9-78.8-0.5111.5L453 A454 E455 V460 T461L453-R457 WeakPolarHBondContact O-CD 3.33Å; L453-R457 WeakPolarHBondContact O-CG 3.47Å; L453-R457 PolarHBondContact O-N 3.38Å; L453-R457 PolarHBondContact O-NE 2.92Å; L453-R457 VanDerWaalsContact O-NE 3.09Å; A454-R457 PolarHBondContact O-N 3.27Å; E455-R457 VanDerWaalsContact C-N 3.35Å; E455-R457 PolarHBondContact O-N 3.38Å; R457-V460 PolarHBondContact O-N 3.08Å; R457-T461 PolarHBondContact O-N 2.98Å; R457-T461 PolarHBondContact O-OG1 2.92Å
458Q93.9Very high87.2Confident106 Ų106100.9 Ų100.950%0.49552%0.521SS..Hα-helixtrans-60.5-46.4176.7-171.661.753.300111.1A454 E455 V460 T461 D462A454-Q458 PolarHBondContact O-N 3.31Å; E455-Q458 PolarHBondContact O-N 3.43Å; Q458-V460 VanDerWaalsContact C-N 3.31Å; Q458-V460 PolarHBondContact O-N 3.32Å; Q458-T461 WeakPolarHBondContact CA-OG1 3.48Å; Q458-T461 PolarHBondContact NE2-OG1 3.22Å; Q458-T461 PolarHBondContact O-N 3.16Å; Q458-T461 VanDerWaalsContact O-N 3.16Å; Q458-T461 PolarHBondContact O-OG1 2.75Å; Q458-D462 PolarHBondContact NE2-OD1 3.22Å; Q458-D462 WeakPolarHBondContact O-CB 3.48Å; Q458-D462 PolarHBondContact O-N 3.1Å
459M93.4Very high85.4Confident128 Ų128102.3 Ų102.363%0.63153%0.533SS*.Hα-helixtrans-61.8-37.2177.5-170.1-175.1-60.800112.7E455 L463E455-M459 WeakPolarHBondContact O-CB 3.03Å; E455-M459 PolarHBondContact O-N 2.91Å; M459-L463 WeakPolarHBondContact O-CB 3.37Å; M459-L463 PolarHBondContact O-N 2.91Å
460V92.2Very high83.1Confident71 Ų71103.1 Ų103.143%0.4354%0.544SS..Hα-helixtrans-66.2-45.7172.9169.60000111S456 R457 Q458 D462 L463 E464S456-V460 WeakPolarHBondContact O-CG2 3.44Å; S456-V460 PolarHBondContact O-N 3.27Å; R457-V460 PolarHBondContact O-N 3.08Å; Q458-V460 VanDerWaalsContact C-N 3.31Å; Q458-V460 PolarHBondContact O-N 3.32Å; V460-D462 VanDerWaalsContact C-N 3.33Å; V460-D462 PolarHBondContact O-N 3.34Å; V460-L463 PolarHBondContact O-N 2.87Å; V460-E464 HydrophobicContact CG1-CG 4.41Å; V460-E464 WeakPolarHBondContact O-CG 3.33Å; V460-E464 PolarHBondContact O-N 3.19Å
461T85.9Confident80.9Confident57 Ų57104.5 Ų104.535%0.3555%0.554SS.*Hα-helixtrans-64.8-36.817750.80000112.6R457 Q458 L463 E464 L465R457-T461 PolarHBondContact O-N 2.98Å; R457-T461 PolarHBondContact O-OG1 2.92Å; Q458-T461 WeakPolarHBondContact CA-OG1 3.48Å; Q458-T461 PolarHBondContact NE2-OG1 3.22Å; Q458-T461 PolarHBondContact O-N 3.16Å; Q458-T461 VanDerWaalsContact O-N 3.16Å; Q458-T461 PolarHBondContact O-OG1 2.75Å; T461-L463 VanDerWaalsContact C-N 3.33Å; T461-E464 PolarHBondContact O-N 2.9Å; T461-L465 WeakPolarHBondContact O-CB 3.48Å; T461-L465 WeakPolarHBondContact O-CG 3.43Å; T461-L465 PolarHBondContact O-N 3.14Å
462D85.3Confident78Confident73 Ų73104 Ų10439%0.3957%0.568SS.*Hα-helixtrans-67.4-36.3177.4-64.3-15000110.9Q458 V460 S466Q458-D462 PolarHBondContact NE2-OD1 3.22Å; Q458-D462 WeakPolarHBondContact O-CB 3.48Å; Q458-D462 PolarHBondContact O-N 3.1Å; V460-D462 VanDerWaalsContact C-N 3.33Å; V460-D462 PolarHBondContact O-N 3.34Å; D462-S466 VanDerWaalsContact O-CB 3.28Å; D462-S466 WeakPolarHBondContact O-CB 3.38Å; D462-S466 PolarHBondContact O-N 3.22Å; D462-S466 PolarHBondContact O-OG 3.25Å
463L86Confident75.7Confident117 Ų117106.2 Ų106.261%0.61358%0.575SS**Hα-helixtrans-69.7-45174-173.465.5000111.7M459 V460 T461 L465 S466 T467M459-L463 WeakPolarHBondContact O-CB 3.37Å; M459-L463 PolarHBondContact O-N 2.91Å; V460-L463 PolarHBondContact O-N 2.87Å; T461-L463 VanDerWaalsContact C-N 3.33Å; L463-L465 PolarHBondContact O-N 3.21Å; L463-S466 WeakPolarHBondContact O-CB 3.31Å; L463-S466 PolarHBondContact O-N 2.97Å; L463-T467 WeakPolarHBondContact O-CG2 3.49Å; L463-T467 PolarHBondContact O-N 3.24Å; L463-T467 PolarHBondContact O-OG1 3.27Å
464E83.4Confident72.8Confident109 Ų109110.3 Ų110.351%0.50959%0.592SS.*Hα-helixtrans-57.8-48.9174.6-74.7175.6175.200110.8V460 T461 S466 T467 L468V460-E464 HydrophobicContact CG1-CG 4.41Å; V460-E464 WeakPolarHBondContact O-CG 3.33Å; V460-E464 PolarHBondContact O-N 3.19Å; T461-E464 PolarHBondContact O-N 2.9Å; E464-S466 VanDerWaalsContact C-N 3.32Å; E464-S466 PolarHBondContact O-N 3.47Å; E464-T467 PolarHBondContact O-N 2.95Å; E464-T467 VanDerWaalsContact O-N 3.14Å; E464-T467 PolarHBondContact O-OG1 2.85Å; E464-L468 WeakPolarHBondContact O-CG 3.31Å; E464-L468 PolarHBondContact O-N 2.95Å; E464-L468 VanDerWaalsContact O-N 3.11Å
465L77.6Confident69.9Low111 Ų111113.6 Ų113.658%0.58160%0.602SS**Hα-helixtrans-60.5-39.4174.8-70.9170.9000112.5T461 L463 T467 L468 L469T461-L465 WeakPolarHBondContact O-CB 3.48Å; T461-L465 WeakPolarHBondContact O-CG 3.43Å; T461-L465 PolarHBondContact O-N 3.14Å; L463-L465 PolarHBondContact O-N 3.21Å; L465-T467 VanDerWaalsContact C-N 3.33Å; L465-T467 PolarHBondContact O-N 3.47Å; L465-L468 PolarHBondContact O-N 2.89Å; L465-L469 PolarHBondContact O-N 3.02Å
466S75.1Confident67.3Low79 Ų79116 Ų11655%0.55262%0.617SS**Hα-helixtrans-65.7-33.3175.5-61.90000112.8D462 L463 E464D462-S466 VanDerWaalsContact O-CB 3.28Å; D462-S466 WeakPolarHBondContact O-CB 3.38Å; D462-S466 PolarHBondContact O-N 3.22Å; D462-S466 PolarHBondContact O-OG 3.25Å; L463-S466 WeakPolarHBondContact O-CB 3.31Å; L463-S466 PolarHBondContact O-N 2.97Å; E464-S466 VanDerWaalsContact C-N 3.32Å; E464-S466 PolarHBondContact O-N 3.47Å
467T64.8Low64.5Low107 Ų107119 Ų11966%0.65663%0.633SS**Hα-helixtrans-79.2-15.2175.558.20000114.3L463 E464 L465L463-T467 WeakPolarHBondContact O-CG2 3.49Å; L463-T467 PolarHBondContact O-N 3.24Å; L463-T467 PolarHBondContact O-OG1 3.27Å; E464-T467 PolarHBondContact O-N 2.95Å; E464-T467 VanDerWaalsContact O-N 3.14Å; E464-T467 PolarHBondContact O-OG1 2.85Å; L465-T467 VanDerWaalsContact C-N 3.33Å; L465-T467 PolarHBondContact O-N 3.47Å
468L57.5Low61.3Low137 Ų137114.7 Ų114.772%0.71764%0.64SS**Hα-helixtrans-93.6-8.3178.9-70.8172.3000113.7E464 L465 P470E464-L468 WeakPolarHBondContact O-CG 3.31Å; E464-L468 PolarHBondContact O-N 2.95Å; E464-L468 VanDerWaalsContact O-N 3.11Å; L465-L468 PolarHBondContact O-N 2.89Å; L468-P470 WeakPolarHBondContact O-CD 3.23Å
469L51.5Low58.4Low129 Ų129115.6 Ų115.668%0.67566%0.658SS**SBendtrans-78.7121.8171.2-80.2164000110.2L465 I471L465-L469 PolarHBondContact O-N 3.02Å; L469-I471 PolarHBondContact O-N 3.22Å
470P42.7Very low55.5Low118 Ų118114.3 Ų114.377%0.76667%0.668SS**  trans-61.5131170.1-19.231.9000109.8L468 S472L468-P470 WeakPolarHBondContact O-CD 3.23Å; P470-S472 PolarHBondContact O-N 3.28Å
471I45.9Very low52.6Low154 Ų154116.9 Ų116.979%0.7968%0.684SS**  trans-63.2100.8173.2-60171.4000107.9L469 H473L469-I471 PolarHBondContact O-N 3.22Å; I471-H473 PolarHBondContact O-N 3.38Å
472S35.3Very low50Low102 Ų102121.6 Ų121.671%0.71371%0.707SS**  trans-67.897.6171.954.90000108.6P470 E474P470-S472 PolarHBondContact O-N 3.28Å; S472-E474 PolarHBondContact O-N 3.37Å
473H44.6Very low47.5Very low155 Ų155125.1 Ų125.172%0.71872%0.724SS**  trans-80.777.3-168.5-161-69.7000111.5I471I471-H473 PolarHBondContact O-N 3.38Å
474E35.2Very low44.8Very low162 Ų162125 Ų12576%0.75773%0.733SS**  trans-113.1115.8177.4-90-175.7124.500113.7S472S472-E474 PolarHBondContact O-N 3.37Å
475N33.1Very low42.2Very low126 Ų126128.6 Ų128.667%0.67475%0.749SS**  trans75.869.3151.4-52.8-44.9000119T477N475-T477 VanDerWaalsContact C-N 3.35Å; N475-T477 PolarHBondContact O-N 2.94Å; N475-T477 VanDerWaalsContact O-N 3.17Å
476L39.6Very low40.2Very low163 Ų163131.2 Ų131.285%0.85376%0.763SS**  trans-74.381.2151.6-90.2156.8000111
477T34.9Very low37.9Very low130 Ų130133.7 Ų133.780%0.79878%0.779SS**  trans-151.999.9169.88.20000111.2N475N475-T477 VanDerWaalsContact C-N 3.35Å; N475-T477 PolarHBondContact O-N 2.94Å; N475-T477 VanDerWaalsContact O-N 3.17Å
478G29.8Very low36.2Very low75 Ų75131.5 Ų131.577%0.77378%0.777SS**SBendtrans172.592.8176.300000116.2
479S33.1Very low34.8Very low125 Ų125136.1 Ų136.187%0.87479%0.785SS**  trans63.990.8157.3-157.30000118.7
480A32.1Very low33.9Very low101 Ų101137.1 Ų137.184%0.83579%0.786SS**  trans-145.655.8161.200000112.1
481T32.2Very low33.3Very low125 Ų125140.5 Ų140.577%0.76779%0.789SS**  trans-149.8115.5170.7-16.30000111.7
482N30.6Very low32.7Very low155 Ų155136.9 Ų136.983%0.82978%0.783SS**  trans155.8131.4156.7-90.4-36000109
483I33.4Very low32.6Very low148 Ų148138.7 Ų138.776%0.75978%0.784SS**  cis-146.5134.62.8-52.9-176.9000109
484S28.1Very low32.2Very low113 Ų113136.8 Ų136.879%0.7978%0.784SS**  trans-164.286.6148.648.40000113.1
485H30.2Very low32.3Very low185 Ų185135.7 Ų135.786%0.85678%0.783SS**  -172.2144.6121.6-124.2-96.3000112.4
486L33.8Very low32.6Very low166 Ų166135.5 Ų135.587%0.86979%0.787SS**  trans-80.3141.4169.7-68.4153.1000110.1
487C28.1Very low32.7Very low132 Ų132140.3 Ų140.389%0.89280%0.804SS**  168.2129.2118.5-178.30000113
488G28.2Very low32.6Very low60 Ų60140.8 Ų140.862%0.61981%0.805SS**  trans120.597.7137.900000119.6
489R29.2Very low32.7Very low235 Ų235144.3 Ų144.389%0.88781%0.806SS**  trans62.9147.8147.9-65.1-179.2178.9-176.20.4116.7
490Q31Very low32.7Very low149 Ų149145.3 Ų145.370%0.69680%0.803SS**  cis-163.5154.910.8-132169.58.400109.6
491K31.5Very low32.8Very low189 Ų189147.9 Ų147.982%0.82280%0.801SS**  trans60.8120.7156.1-77.6-176.8173.7-174.20118.1
492A32.2Very low32.8Very low79 Ų79149.4 Ų149.465%0.65380%0.803SS**  86.8145.9103.500000112.4
493D33.7Very low32.9Very low140 Ų140149 Ų14975%0.74980%0.801SS**  cis-157152.6-12.5-103.5-31.1000107.1
494T37.4Very low32.9Very low115 Ų115149.1 Ų149.171%0.70680%0.804SS**  trans55.9136.6150.358.20000123.2
495N35.4Very low33.3Very low138 Ų138151.8 Ų151.874%0.73881%0.805SS**  trans83.3123.5148.2-58-12000118.8
496T40.3Very low33.5Very low123 Ų123149.1 Ų149.176%0.75580%0.801SS**  63.712481.9-18.60000110.8
497E41.9Very low33.5Very low263 Ų263147.5 Ų147.5100%1.22980%0.795SS**  cis-118.1025.6-67.5169.912000115.7

Retrieved 497 of 497 residues in 490.8 ms (Link to these results)