A0A087X9A7_POEFO Loading...

RNA polymerase II-associated protein 3

AlphaFold DB , UniProt , Accession A0A087X9A7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 634 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
1M50Low72.1Confident197 Ų197110.6 Ų110.697%0.9760%0.602SS**  0110.30-58.5-61.8-118.600107.1
2S58.8Low73.5Confident55 Ų55109.3 Ų109.339%0.38559%0.593SS.*  trans-68.9161.8-174.771.40000110.6E4 D5S2-E4 PolarHBondContact O-N 3.33Å; S2-D5 PolarHBondContact N-OD2 3.39Å; S2-D5 PolarHBondContact O-N 3.4Å; S2-D5 PolarHBondContact OG-N 3.29Å; S2-D5 PolarHBondContact OG-OD2 3.35Å
3G65.8Low74.5Confident62 Ų62108.7 Ų108.764%0.63958%0.584SS**Hα-helixtrans-62.3-24.3176.800000113.4A7G3-A7 PolarHBondContact O-N 3.16Å
4E63.1Low75.5Confident156 Ų156108.4 Ų108.473%0.72958%0.58SS**Hα-helixtrans-72.2-39.6177.6-64.3179.9164.400111.5S2 K6 A7 V8S2-E4 PolarHBondContact O-N 3.33Å; E4-K6 VanDerWaalsContact C-N 3.28Å; E4-K6 PolarHBondContact O-N 3.03Å; E4-A7 PolarHBondContact O-N 3.43Å; E4-V8 WeakPolarHBondContact O-CG2 3.45Å; E4-V8 PolarHBondContact O-N 2.95Å; E4-V8 VanDerWaalsContact O-N 3.1Å
5D63.7Low76.2Confident83 Ų83112 Ų11244%0.44458%0.583SS.*Hα-helixtrans-60.7-38.4176.9-59.8-43000111.7S2 V8 E9S2-D5 PolarHBondContact N-OD2 3.39Å; S2-D5 PolarHBondContact O-N 3.4Å; S2-D5 PolarHBondContact OG-N 3.29Å; S2-D5 PolarHBondContact OG-OD2 3.35Å; D5-V8 PolarHBondContact O-N 3.37Å; D5-E9 WeakPolarHBondContact O-CB 3.4Å; D5-E9 PolarHBondContact O-N 3.05Å
6K76.1Confident76.7Confident138 Ų138110.8 Ų110.860%0.657%0.573SS**Hα-helixtrans-70.1-33.9178.1-67.7-175178.9-177.50112.9E4 L10E4-K6 VanDerWaalsContact C-N 3.28Å; E4-K6 PolarHBondContact O-N 3.03Å; K6-L10 WeakPolarHBondContact O-CB 3.26Å; K6-L10 PolarHBondContact O-N 3.37Å
7A81.1Confident77.1Confident58 Ų58109.8 Ų109.848%0.47957%0.569SS.*Hα-helixtrans-70.1-39.217700000111.2G3 E4 L10 Q11G3-A7 PolarHBondContact O-N 3.16Å; E4-A7 PolarHBondContact O-N 3.43Å; A7-L10 PolarHBondContact O-N 3.3Å; A7-Q11 WeakPolarHBondContact O-CB 3.35Å; A7-Q11 PolarHBondContact O-N 3.02Å
8V85.6Confident77.8Confident95 Ų95106.1 Ų106.158%0.57656%0.557SS**Hα-helixtrans-66.3-42.2174.9174.80000111.1E4 D5 Q11 L12E4-V8 WeakPolarHBondContact O-CG2 3.45Å; E4-V8 PolarHBondContact O-N 2.95Å; E4-V8 VanDerWaalsContact O-N 3.1Å; D5-V8 PolarHBondContact O-N 3.37Å; V8-Q11 PolarHBondContact O-N 3.44Å; V8-L12 WeakPolarHBondContact O-CB 3.42Å; V8-L12 PolarHBondContact O-N 3.13Å
9E81.5Confident78.4Confident131 Ų131105.9 Ų105.961%0.61255%0.553SS**Hα-helixtrans-63.7-42.5176.7-170.6166.2-154.200111.9D5 Q11 L12 Q13D5-E9 WeakPolarHBondContact O-CB 3.4Å; D5-E9 PolarHBondContact O-N 3.05Å; E9-Q11 PolarHBondContact O-N 3.45Å; E9-L12 PolarHBondContact O-N 3.04Å; E9-Q13 WeakPolarHBondContact O-CB 3.26Å; E9-Q13 PolarHBondContact O-N 2.89Å
10L84.6Confident78.8Confident99 Ų99105.2 Ų105.252%0.51855%0.55SS..Hα-helixtrans-63.8-41.2174.9-175.265.3000112K6 A7 L12 Q13 I14K6-L10 WeakPolarHBondContact O-CB 3.26Å; K6-L10 PolarHBondContact O-N 3.37Å; A7-L10 PolarHBondContact O-N 3.3Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L10-Q13 PolarHBondContact O-N 3.07Å; L10-I14 HydrophobicContact CG-CD1 4.15Å; L10-I14 VanDerWaalsContact O-CG1 3.28Å; L10-I14 WeakPolarHBondContact O-CG1 3.27Å; L10-I14 PolarHBondContact O-N 3.28Å
11Q83.2Confident79.3Confident143 Ų143104.7 Ų104.767%0.66855%0.547SS*.Hα-helixtrans-66-38.2177.5-169.61757.300111.9A7 V8 E9 R15A7-Q11 WeakPolarHBondContact O-CB 3.35Å; A7-Q11 PolarHBondContact O-N 3.02Å; V8-Q11 PolarHBondContact O-N 3.44Å; E9-Q11 PolarHBondContact O-N 3.45Å; Q11-R15 PolarHBondContact O-N 3.34Å; Q11-R15 VanDerWaalsContact O-N 3.13Å
12L89.2Confident81.1Confident95 Ų95100.9 Ų100.950%0.49753%0.527SS..Hα-helixtrans-65.1-42.5174.4-173.366.8000111.2V8 E9 L10 R15 Q16V8-L12 WeakPolarHBondContact O-CB 3.42Å; V8-L12 PolarHBondContact O-N 3.13Å; E9-L12 PolarHBondContact O-N 3.04Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L12-R15 PolarHBondContact O-N 2.6Å; L12-Q16 WeakPolarHBondContact O-CG 3.42Å; L12-Q16 PolarHBondContact O-N 2.7Å
13Q86.1Confident82.4Confident101 Ų101101 Ų10147%0.47253%0.528SS..Hα-helixtrans-65.4-40.5178.1-167.5178.410.700112.2E9 L10 R15 Q16 N17E9-Q13 WeakPolarHBondContact O-CB 3.26Å; E9-Q13 PolarHBondContact O-N 2.89Å; L10-Q13 PolarHBondContact O-N 3.07Å; Q13-R15 VanDerWaalsContact C-N 3.29Å; Q13-R15 PolarHBondContact O-N 3.38Å; Q13-Q16 PolarHBondContact O-N 3.35Å; Q13-N17 WeakPolarHBondContact O-CB 3.47Å; Q13-N17 PolarHBondContact O-N 2.93Å; Q13-N17 PolarHBondContact O-ND2 3.34Å; Q13-N17 PolarHBondContact O-OD1 3.31Å
14I87.9Confident83.6Confident104 Ų104104.3 Ų104.353%0.53353%0.525SS..Hα-helixtrans-62.2-40.4175.1-69.6165.3000110.8L10 A18L10-I14 HydrophobicContact CG-CD1 4.15Å; L10-I14 VanDerWaalsContact O-CG1 3.28Å; L10-I14 WeakPolarHBondContact O-CG1 3.27Å; L10-I14 PolarHBondContact O-N 3.28Å; I14-A18 WeakPolarHBondContact O-CB 3.45Å; I14-A18 PolarHBondContact O-N 3.04Å
15R86.9Confident84.9Confident163 Ų163101.4 Ų101.462%0.61551%0.512SS*.Hα-helixtrans-66.7-44177.6-174.8177.9176.2162.23.6112Q11 L12 Q13 A18 E19Q11-R15 PolarHBondContact O-N 3.34Å; Q11-R15 VanDerWaalsContact O-N 3.13Å; L12-R15 PolarHBondContact O-N 2.6Å; Q13-R15 VanDerWaalsContact C-N 3.29Å; Q13-R15 PolarHBondContact O-N 3.38Å; R15-A18 PolarHBondContact O-N 2.85Å; R15-E19 WeakPolarHBondContact CG-OE1 3.45Å; R15-E19 IonicContact CZ-OE1 3.29Å; R15-E19 IonicContact NE-OE1 3.64Å; R15-E19 PolarHBondContact NE-OE1 2.74Å; R15-E19 IonicContact NH2-OE1 2.61Å; R15-E19 WeakPolarHBondContact O-CG 3.36Å; R15-E19 PolarHBondContact O-N 3.29Å
16Q83.3Confident86.3Confident92 Ų92105.5 Ų105.543%0.4352%0.522SS..Hα-helixtrans-61-46.2175.4-74172.3-11.200111.2L12 Q13 A18 E19 D20L12-Q16 WeakPolarHBondContact O-CG 3.42Å; L12-Q16 PolarHBondContact O-N 2.7Å; Q13-Q16 PolarHBondContact O-N 3.35Å; Q16-A18 VanDerWaalsContact C-N 3.26Å; Q16-A18 PolarHBondContact O-N 2.91Å; Q16-E19 PolarHBondContact O-N 3.28Å; Q16-D20 WeakPolarHBondContact O-CB 3.31Å; Q16-D20 VanDerWaalsContact O-CG 3.3Å; Q16-D20 PolarHBondContact O-N 2.96Å
17N84.3Confident86.8Confident95 Ų95104.4 Ų104.451%0.50852%0.519SS..Hα-helixtrans-59.9-35.9176.3-70.6-12.4000112.6Q13 L21Q13-N17 WeakPolarHBondContact O-CB 3.47Å; Q13-N17 PolarHBondContact O-N 2.93Å; Q13-N17 PolarHBondContact O-ND2 3.34Å; Q13-N17 PolarHBondContact O-OD1 3.31Å; N17-L21 WeakPolarHBondContact O-CB 3.48Å; N17-L21 PolarHBondContact O-N 2.9Å
18A90.3Very high87.3Confident43 Ų43106.9 Ų106.936%0.35552%0.523SS..Hα-helixtrans-72.3-41.2176.300000112.3I14 R15 Q16 D20 L21 H22I14-A18 WeakPolarHBondContact O-CB 3.45Å; I14-A18 PolarHBondContact O-N 3.04Å; R15-A18 PolarHBondContact O-N 2.85Å; Q16-A18 VanDerWaalsContact C-N 3.26Å; Q16-A18 PolarHBondContact O-N 2.91Å; A18-D20 VanDerWaalsContact C-N 3.34Å; A18-L21 PolarHBondContact O-N 3.44Å; A18-H22 PolarHBondContact O-CD2 3.03Å; A18-H22 PolarHBondContact O-N 2.9Å
19E89.1Confident87.5Confident103 Ų103107.1 Ų107.148%0.48152%0.521SS..Hα-helixtrans-63.4-41.3175.7-73.4172.8-171.200111R15 Q16 H22 S23R15-E19 WeakPolarHBondContact CG-OE1 3.45Å; R15-E19 IonicContact CZ-OE1 3.29Å; R15-E19 IonicContact NE-OE1 3.64Å; R15-E19 PolarHBondContact NE-OE1 2.74Å; R15-E19 IonicContact NH2-OE1 2.61Å; R15-E19 WeakPolarHBondContact O-CG 3.36Å; R15-E19 PolarHBondContact O-N 3.29Å; Q16-E19 PolarHBondContact O-N 3.28Å; E19-H22 PolarHBondContact O-N 3.16Å; E19-S23 PolarHBondContact O-N 3.35Å
20D85.9Confident87.9Confident90 Ų90105.5 Ų105.548%0.48152%0.517SS..Hα-helixtrans-62.7-46.2174.2-71.9-16.1000111.4Q16 A18 H22 S23 F24Q16-D20 WeakPolarHBondContact O-CB 3.31Å; Q16-D20 VanDerWaalsContact O-CG 3.3Å; Q16-D20 PolarHBondContact O-N 2.96Å; A18-D20 VanDerWaalsContact C-N 3.34Å; D20-H22 VanDerWaalsContact C-N 3.3Å; D20-H22 PolarHBondContact O-N 3.47Å; D20-S23 WeakPolarHBondContact O-CA 3.42Å; D20-S23 WeakPolarHBondContact O-CB 3.41Å; D20-S23 PolarHBondContact O-N 2.71Å; D20-S23 VanDerWaalsContact O-N 3.08Å; D20-F24 WeakPolarHBondContact O-CD2 3.35Å; D20-F24 PolarHBondContact O-N 3.42Å
21L89.3Confident88.1Confident96 Ų96108.5 Ų108.550%0.50352%0.521SS..Hα-helixtrans-59-41.9176.3-176.165.9000111.8N17 A18 S23 F24 M25N17-L21 WeakPolarHBondContact O-CB 3.48Å; N17-L21 PolarHBondContact O-N 2.9Å; A18-L21 PolarHBondContact O-N 3.44Å; L21-S23 VanDerWaalsContact C-N 3.34Å; L21-F24 PolarHBondContact O-N 3.16Å; L21-M25 HydrophobicContact CD1-CE 4.04Å; L21-M25 HydrophobicContact CD2-CE 4.1Å; L21-M25 HydrophobicContact CG-CE 3.89Å; L21-M25 WeakPolarHBondContact O-CG 3.44Å; L21-M25 PolarHBondContact O-N 2.88Å
22H87.6Confident88.6Confident117 Ų117105.9 Ų105.954%0.54251%0.509SS..Hα-helixtrans-66.4-34.8175.2-78.3-56.5000112.8A18 E19 D20 R26A18-H22 PolarHBondContact O-CD2 3.03Å; A18-H22 PolarHBondContact O-N 2.9Å; E19-H22 PolarHBondContact O-N 3.16Å; D20-H22 VanDerWaalsContact C-N 3.3Å; D20-H22 PolarHBondContact O-N 3.47Å; H22-R26 WeakPolarHBondContact O-CB 3.45Å; H22-R26 PolarHBondContact O-N 3.02Å; H22-R26 VanDerWaalsContact O-N 3.12Å
23S86.3Confident88.6Confident57 Ų57104 Ų10440%0.39951%0.507SS..Hα-helixtrans-63.3-47.9172.2-167.40000111E19 D20 L21 M25 R26 E27E19-S23 PolarHBondContact O-N 3.35Å; D20-S23 WeakPolarHBondContact O-CA 3.42Å; D20-S23 WeakPolarHBondContact O-CB 3.41Å; D20-S23 PolarHBondContact O-N 2.71Å; D20-S23 VanDerWaalsContact O-N 3.08Å; L21-S23 VanDerWaalsContact C-N 3.34Å; S23-M25 PolarHBondContact O-N 3.22Å; S23-R26 PolarHBondContact O-N 3.06Å; S23-R26 VanDerWaalsContact O-N 3.17Å; S23-E27 PolarHBondContact O-N 3.4Å
24F89.8Confident88.8Confident131 Ų131102.4 Ų102.458%0.57550%0.502SS*.Hα-helixtrans-60-44177.5-80.7-65.7000112.6D20 L21 R26 E27 L28D20-F24 WeakPolarHBondContact O-CD2 3.35Å; D20-F24 PolarHBondContact O-N 3.42Å; L21-F24 PolarHBondContact O-N 3.16Å; F24-R26 VanDerWaalsContact C-N 3.31Å; F24-R26 PolarHBondContact O-N 3.3Å; F24-E27 PolarHBondContact O-N 2.95Å; F24-L28 WeakPolarHBondContact O-CB 3.26Å; F24-L28 PolarHBondContact O-N 2.94Å
25M91.3Very high88.8Confident96 Ų96101 Ų10147%0.47350%0.495SS..Hα-helixtrans-61.4-40.7176.5-72.4179.3179.300111.6L21 S23 L28 D29L21-M25 HydrophobicContact CD1-CE 4.04Å; L21-M25 HydrophobicContact CD2-CE 4.1Å; L21-M25 HydrophobicContact CG-CE 3.89Å; L21-M25 WeakPolarHBondContact O-CG 3.44Å; L21-M25 PolarHBondContact O-N 2.88Å; S23-M25 PolarHBondContact O-N 3.22Å; M25-L28 WeakPolarHBondContact O-CB 3.23Å; M25-L28 PolarHBondContact O-N 3.36Å; M25-D29 PolarHBondContact O-N 2.91Å
26R92.4Very high88.9Confident168 Ų16898.7 Ų98.763%0.63449%0.489SS*.Hα-helixtrans-68.5-38.4178.5-164.2-176.2-58172.34.4112.6H22 S23 F24 L28 D29 N30H22-R26 WeakPolarHBondContact O-CB 3.45Å; H22-R26 PolarHBondContact O-N 3.02Å; H22-R26 VanDerWaalsContact O-N 3.12Å; S23-R26 PolarHBondContact O-N 3.06Å; S23-R26 VanDerWaalsContact O-N 3.17Å; F24-R26 VanDerWaalsContact C-N 3.31Å; F24-R26 PolarHBondContact O-N 3.3Å; R26-L28 VanDerWaalsContact C-N 3.33Å; R26-D29 PolarHBondContact O-N 3.42Å; R26-N30 WeakPolarHBondContact O-CB 3.48Å; R26-N30 PolarHBondContact O-N 3.45Å; R26-N30 PolarHBondContact O-ND2 3.5Å
27E88.1Confident89Confident116 Ų116100.2 Ų100.254%0.54249%0.491SS..Hα-helixtrans-64.8-38.7173.7-74.7-178.9-17100111.8S23 F24 N30 W31S23-E27 PolarHBondContact O-N 3.4Å; F24-E27 PolarHBondContact O-N 2.95Å; E27-N30 PolarHBondContact O-N 2.8Å; E27-W31 VanDerWaalsContact O-CB 3.25Å; E27-W31 WeakPolarHBondContact O-CB 3.49Å; E27-W31 PolarHBondContact O-N 2.94Å
28L90.6Very high88.7Confident109 Ų109102 Ų10257%0.57149%0.494SS*.Hα-helixtrans-62.1-47.9173.4-99.7159.4000112.2F24 M25 R26 N30 W31 E32F24-L28 WeakPolarHBondContact O-CB 3.26Å; F24-L28 PolarHBondContact O-N 2.94Å; M25-L28 WeakPolarHBondContact O-CB 3.23Å; M25-L28 PolarHBondContact O-N 3.36Å; R26-L28 VanDerWaalsContact C-N 3.33Å; L28-N30 VanDerWaalsContact C-N 3.33Å; L28-N30 PolarHBondContact O-N 3.36Å; L28-W31 PolarHBondContact O-N 3.33Å; L28-E32 WeakPolarHBondContact O-CB 3.49Å; L28-E32 PolarHBondContact O-N 2.94Å
29D90.5Very high88.2Confident101 Ų101103 Ų10354%0.5449%0.493SS..Hα-helixtrans-62.4-41.9178-69.6-22.2000111.6M25 R26 E32 A33M25-D29 PolarHBondContact O-N 2.91Å; R26-D29 PolarHBondContact O-N 3.42Å; D29-E32 PolarHBondContact O-N 3.27Å; D29-A33 WeakPolarHBondContact O-CB 3.42Å; D29-A33 PolarHBondContact O-N 3.06Å
30N90.5Very high87.8Confident96 Ų96104.3 Ų104.351%0.51350%0.5SS..Hα-helixtrans-63.7-42.1175.7-74.3-22.2000111.5R26 E27 L28 A33 D34R26-N30 WeakPolarHBondContact O-CB 3.48Å; R26-N30 PolarHBondContact O-N 3.45Å; R26-N30 PolarHBondContact O-ND2 3.5Å; E27-N30 PolarHBondContact O-N 2.8Å; L28-N30 VanDerWaalsContact C-N 3.33Å; L28-N30 PolarHBondContact O-N 3.36Å; N30-A33 PolarHBondContact O-N 3.32Å; N30-D34 WeakPolarHBondContact O-CB 3.45Å; N30-D34 PolarHBondContact O-N 3.2Å
31W86.8Confident87.5Confident163 Ų163104.8 Ų104.862%0.61750%0.499SS*.Hα-helixtrans-66.3-40.9177.2-178.585000111.9E27 L28 A33 D34 I35E27-W31 VanDerWaalsContact O-CB 3.25Å; E27-W31 WeakPolarHBondContact O-CB 3.49Å; E27-W31 PolarHBondContact O-N 2.94Å; L28-W31 PolarHBondContact O-N 3.33Å; W31-A33 VanDerWaalsContact C-N 3.35Å; W31-A33 PolarHBondContact O-N 3.14Å; W31-D34 PolarHBondContact O-N 3.31Å; W31-I35 HydrophobicContact CD2-CD1 3.66Å; W31-I35 HydrophobicContact CD2-CG1 4.38Å; W31-I35 HydrophobicContact CE3-CD1 3.76Å; W31-I35 HydrophobicContact CH2-CD1 3.26Å; W31-I35 HydrophobicContact CZ2-CD1 3.15Å; W31-I35 HydrophobicContact CZ2-CG1 4.41Å; W31-I35 HydrophobicContact CZ3-CD1 3.56Å; W31-I35 WeakPolarHBondContact O-CG1 3.46Å; W31-I35 PolarHBondContact O-N 3.34Å
32E93.8Very high86.6Confident88 Ų88105.8 Ų105.841%0.41150%0.504SS..Hα-helixtrans-61.3-44174.6-169.9-172.5164.500111.2L28 D29 I35 K36L28-E32 WeakPolarHBondContact O-CB 3.49Å; L28-E32 PolarHBondContact O-N 2.94Å; D29-E32 PolarHBondContact O-N 3.27Å; E32-I35 PolarHBondContact O-N 3.46Å; E32-K36 HydrophobicContact CG-CD 4.31Å; E32-K36 WeakPolarHBondContact O-CB 3.45Å; E32-K36 WeakPolarHBondContact O-CG 3.32Å; E32-K36 PolarHBondContact O-N 2.91Å; E32-K36 VanDerWaalsContact OE1-CE 3.26Å; E32-K36 WeakPolarHBondContact OE1-CE 3.44Å; E32-K36 IonicContact OE1-NZ 2.6Å; E32-K36 PolarHBondContact OE1-NZ 3.26Å
33A90.9Very high86.1Confident55 Ų55109.4 Ų109.446%0.45551%0.513SS..Hα-helixtrans-62.6-41.1175.400000112.1D29 N30 W31 K36 R37D29-A33 WeakPolarHBondContact O-CB 3.42Å; D29-A33 PolarHBondContact O-N 3.06Å; N30-A33 PolarHBondContact O-N 3.32Å; W31-A33 VanDerWaalsContact C-N 3.35Å; W31-A33 PolarHBondContact O-N 3.14Å; A33-K36 PolarHBondContact O-N 3.15Å; A33-R37 VanDerWaalsContact O-CB 3.26Å; A33-R37 WeakPolarHBondContact O-CB 3.37Å; A33-R37 PolarHBondContact O-N 3.48Å
34D88.8Confident85.5Confident67 Ų67112.2 Ų112.236%0.35853%0.528SS..Hα-helixtrans-63.7-39.9176.5-88.724.6000112.6N30 W31 R37 K38N30-D34 WeakPolarHBondContact O-CB 3.45Å; N30-D34 PolarHBondContact O-N 3.2Å; W31-D34 PolarHBondContact O-N 3.31Å; D34-R37 IonicContact OD1-CZ 3.45Å; D34-R37 IonicContact OD1-NE 3.6Å; D34-R37 IonicContact OD1-NH2 2.71Å; D34-R37 PolarHBondContact OD1-NH2 3Å; D34-R37 IonicContact OD2-NH2 3.17Å; D34-R37 PolarHBondContact OD2-NH2 3.23Å; D34-K38 WeakPolarHBondContact O-CB 3.36Å; D34-K38 WeakPolarHBondContact O-CG 3.25Å; D34-K38 PolarHBondContact O-N 3.06Å
35I88.6Confident84Confident75 Ų75108.6 Ų108.639%0.38553%0.528SS..Hα-helixtrans-67.7-47.9175.8-75.2-177.8000110.8W31 E32 R37 K38 D39W31-I35 HydrophobicContact CD2-CD1 3.66Å; W31-I35 HydrophobicContact CD2-CG1 4.38Å; W31-I35 HydrophobicContact CE3-CD1 3.76Å; W31-I35 HydrophobicContact CH2-CD1 3.26Å; W31-I35 HydrophobicContact CZ2-CD1 3.15Å; W31-I35 HydrophobicContact CZ2-CG1 4.41Å; W31-I35 HydrophobicContact CZ3-CD1 3.56Å; W31-I35 WeakPolarHBondContact O-CG1 3.46Å; W31-I35 PolarHBondContact O-N 3.34Å; E32-I35 PolarHBondContact O-N 3.46Å; I35-R37 PolarHBondContact O-N 2.96Å; I35-K38 PolarHBondContact O-N 3.03Å; I35-D39 WeakPolarHBondContact O-CB 3.43Å; I35-D39 PolarHBondContact O-N 3.45Å
36K89.1Confident82.1Confident115 Ų115112.1 Ų112.150%0.554%0.536SS..Hα-helixtrans-59.2-39.5177.8-77.2173.1170.9169.70111.6E32 A33 Q40E32-K36 HydrophobicContact CG-CD 4.31Å; E32-K36 WeakPolarHBondContact O-CB 3.45Å; E32-K36 WeakPolarHBondContact O-CG 3.32Å; E32-K36 PolarHBondContact O-N 2.91Å; E32-K36 VanDerWaalsContact OE1-CE 3.26Å; E32-K36 WeakPolarHBondContact OE1-CE 3.44Å; E32-K36 IonicContact OE1-NZ 2.6Å; E32-K36 PolarHBondContact OE1-NZ 3.26Å; A33-K36 PolarHBondContact O-N 3.15Å; K36-Q40 WeakPolarHBondContact O-CB 3.38Å; K36-Q40 WeakPolarHBondContact O-CG 3.33Å; K36-Q40 PolarHBondContact O-N 3.29Å
37R85.6Confident80.1Confident124 Ų124107.9 Ų107.947%0.46853%0.529SS..Hα-helixtrans-63.7-49.3174.3174.9168.750.6127.1-6.5112A33 D34 I35 D39 Q40 E41A33-R37 VanDerWaalsContact O-CB 3.26Å; A33-R37 WeakPolarHBondContact O-CB 3.37Å; A33-R37 PolarHBondContact O-N 3.48Å; D34-R37 IonicContact OD1-CZ 3.45Å; D34-R37 IonicContact OD1-NE 3.6Å; D34-R37 IonicContact OD1-NH2 2.71Å; D34-R37 PolarHBondContact OD1-NH2 3Å; D34-R37 IonicContact OD2-NH2 3.17Å; D34-R37 PolarHBondContact OD2-NH2 3.23Å; I35-R37 PolarHBondContact O-N 2.96Å; R37-D39 VanDerWaalsContact C-N 3.34Å; R37-D39 PolarHBondContact O-N 2.83Å; R37-Q40 PolarHBondContact O-N 2.87Å; R37-E41 WeakPolarHBondContact CG-OE1 3.35Å; R37-E41 WeakPolarHBondContact O-CB 3.45Å; R37-E41 VanDerWaalsContact O-CG 3.31Å; R37-E41 WeakPolarHBondContact O-CG 3.38Å; R37-E41 PolarHBondContact O-N 3.44Å
38K78Confident78.3Confident131 Ų131110.2 Ų110.257%0.5754%0.539SS*.Hα-helixtrans-63.2-38.7176.9-78.3179.2180162.30112.4D34 I35 E41 L42D34-K38 WeakPolarHBondContact O-CB 3.36Å; D34-K38 WeakPolarHBondContact O-CG 3.25Å; D34-K38 PolarHBondContact O-N 3.06Å; I35-K38 PolarHBondContact O-N 3.03Å; K38-E41 PolarHBondContact O-N 2.95Å; K38-L42 WeakPolarHBondContact O-CB 3.5Å; K38-L42 VanDerWaalsContact O-CG 3.23Å; K38-L42 WeakPolarHBondContact O-CG 3.44Å; K38-L42 PolarHBondContact O-N 3.31Å
39D80Confident76.4Confident64 Ų64110.3 Ų110.334%0.34254%0.537SS..Hα-helixtrans-64.9-42.1175.8-172.549.4000111.1I35 R37 L42 R43I35-D39 WeakPolarHBondContact O-CB 3.43Å; I35-D39 PolarHBondContact O-N 3.45Å; R37-D39 VanDerWaalsContact C-N 3.34Å; R37-D39 PolarHBondContact O-N 2.83Å; D39-L42 PolarHBondContact O-N 3.39Å; D39-R43 WeakPolarHBondContact O-CB 3.45Å; D39-R43 VanDerWaalsContact O-CG 3.26Å; D39-R43 WeakPolarHBondContact O-CG 3.04Å; D39-R43 PolarHBondContact O-N 3.22Å; D39-R43 IonicContact OD1-NE 2.96Å; D39-R43 IonicContact OD1-NH2 3.97Å; D39-R43 IonicContact OD2-CZ 3.07Å; D39-R43 IonicContact OD2-NE 3.72Å; D39-R43 PolarHBondContact OD2-NE 3.45Å; D39-R43 IonicContact OD2-NH2 2.74Å; D39-R43 PolarHBondContact OD2-NH2 3.26Å
40Q81.1Confident74.4Confident132 Ų132110.9 Ų110.962%0.61754%0.54SS*.Hα-helixtrans-63.3-41.6171.5-77.3179.13.700112.7K36 R37 L42 R43 T44K36-Q40 WeakPolarHBondContact O-CB 3.38Å; K36-Q40 WeakPolarHBondContact O-CG 3.33Å; K36-Q40 PolarHBondContact O-N 3.29Å; R37-Q40 PolarHBondContact O-N 2.87Å; Q40-L42 VanDerWaalsContact C-N 3.31Å; Q40-L42 PolarHBondContact O-N 2.93Å; Q40-R43 PolarHBondContact O-N 3.48Å; Q40-T44 WeakPolarHBondContact O-CB 3.41Å; Q40-T44 VanDerWaalsContact O-CG2 3.27Å; Q40-T44 WeakPolarHBondContact O-CG2 3.45Å; Q40-T44 PolarHBondContact O-N 3.29Å; Q40-T44 PolarHBondContact O-OG1 2.61Å
41E78.6Confident72.5Confident100 Ų100113.2 Ų113.247%0.46755%0.547SS..Hα-helixtrans-62.2-37.4175.5-75.1172.7-173.900112.2R37 K38 T44R37-E41 WeakPolarHBondContact CG-OE1 3.35Å; R37-E41 WeakPolarHBondContact O-CB 3.45Å; R37-E41 VanDerWaalsContact O-CG 3.31Å; R37-E41 WeakPolarHBondContact O-CG 3.38Å; R37-E41 PolarHBondContact O-N 3.44Å; K38-E41 PolarHBondContact O-N 2.95Å; E41-T44 WeakPolarHBondContact CA-OG1 3.38Å; E41-T44 PolarHBondContact O-OG1 3.17Å
42L70.3Confident71.1Confident117 Ų117114.4 Ų114.461%0.61356%0.557SS**Hα-helixtrans-71.3-40.3175.1-70.6169.6000111.7K38 D39 Q40 G45K38-L42 WeakPolarHBondContact O-CB 3.5Å; K38-L42 VanDerWaalsContact O-CG 3.23Å; K38-L42 WeakPolarHBondContact O-CG 3.44Å; K38-L42 PolarHBondContact O-N 3.31Å; D39-L42 PolarHBondContact O-N 3.39Å; Q40-L42 VanDerWaalsContact C-N 3.31Å; Q40-L42 PolarHBondContact O-N 2.93Å; L42-G45 PolarHBondContact O-N 3.5Å
43R76.2Confident69Low193 Ų193115.2 Ų115.273%0.72857%0.568SS**Hα-helixtrans-67.9-32.2176.5-72.7176.4-168.3-160.36.1113.4D39 Q40 G45D39-R43 WeakPolarHBondContact O-CB 3.45Å; D39-R43 VanDerWaalsContact O-CG 3.26Å; D39-R43 WeakPolarHBondContact O-CG 3.04Å; D39-R43 PolarHBondContact O-N 3.22Å; D39-R43 IonicContact OD1-NE 2.96Å; D39-R43 IonicContact OD1-NH2 3.97Å; D39-R43 IonicContact OD2-CZ 3.07Å; D39-R43 IonicContact OD2-NE 3.72Å; D39-R43 PolarHBondContact OD2-NE 3.45Å; D39-R43 IonicContact OD2-NH2 2.74Å; D39-R43 PolarHBondContact OD2-NH2 3.26Å; Q40-R43 PolarHBondContact O-N 3.48Å; R43-G45 PolarHBondContact O-N 2.87Å
44T74.1Confident67Low115 Ų115118.7 Ų118.771%0.70658%0.578SS**THydrogen-bonded Turntrans-79.70.4179.752.90000113.8Q40 E41Q40-T44 WeakPolarHBondContact O-CB 3.41Å; Q40-T44 VanDerWaalsContact O-CG2 3.27Å; Q40-T44 WeakPolarHBondContact O-CG2 3.45Å; Q40-T44 PolarHBondContact O-N 3.29Å; Q40-T44 PolarHBondContact O-OG1 2.61Å; E41-T44 WeakPolarHBondContact CA-OG1 3.38Å; E41-T44 PolarHBondContact O-OG1 3.17Å
45G58.5Low64.8Low56 Ų56120.5 Ų120.558%0.57759%0.594SS**THydrogen-bonded Turntrans83.523.1163.300000116.1L42 R43 V47L42-G45 PolarHBondContact O-N 3.5Å; R43-G45 PolarHBondContact O-N 2.87Å; G45-V47 PolarHBondContact O-N 3.3Å
46R51Low63.2Low169 Ų169122.7 Ų122.764%0.63861%0.612SS**THydrogen-bonded Turntrans-80.130.4176-145.8178.3-169.4-176.54.3114.2Q48 E49R46-Q48 VanDerWaalsContact C-N 3.28Å; R46-Q48 PolarHBondContact O-N 3.04Å; R46-E49 HydrophobicContact CG-CB 4.5Å; R46-E49 IonicContact CZ-OE2 2.75Å; R46-E49 IonicContact NE-OE2 3.85Å; R46-E49 PolarHBondContact NE-OE2 3.31Å; R46-E49 IonicContact NH2-OE2 3.51Å; R46-E49 PolarHBondContact NH2-OE2 3.11Å
47V50.8Low61.3Low80 Ų80123.1 Ų123.149%0.48562%0.624SS.*Hα-helixtrans-69.9-24.2-174.1178.30000112.4G45G45-V47 PolarHBondContact O-N 3.3Å
48Q51.3Low59.4Low164 Ų164128.9 Ų128.977%0.76665%0.646SS**Hα-helixtrans-82.5-25.2-176.4-81.8177.10.800115.2R46R46-Q48 VanDerWaalsContact C-N 3.28Å; R46-Q48 PolarHBondContact O-N 3.04Å
49E49.9Very low58.2Low112 Ų112126.9 Ų126.952%0.52364%0.642SS.*Hα-helixtrans-81.2-33.4-178.9-77.7-175.3145.200112.4R46 K52R46-E49 HydrophobicContact CG-CB 4.5Å; R46-E49 IonicContact CZ-OE2 2.75Å; R46-E49 IonicContact NE-OE2 3.85Å; R46-E49 PolarHBondContact NE-OE2 3.31Å; R46-E49 IonicContact NH2-OE2 3.51Å; R46-E49 PolarHBondContact NH2-OE2 3.11Å; E49-K52 PolarHBondContact O-N 3.11Å
50L47.9Very low57.1Low113 Ų113132.1 Ų132.159%0.59266%0.662SS**Hα-helixtrans-72.8-27.8179.5-78.9163.3000113.7K52 T53L50-K52 PolarHBondContact O-N 2.96Å; L50-T53 PolarHBondContact O-N 3.15Å; L50-T53 PolarHBondContact O-OG1 3.09Å; L50-T53 VanDerWaalsContact O-OG1 3.11Å
51Q51.8Low55.6Low144 Ų144128 Ų12867%0.67365%0.654SS**THydrogen-bonded Turntrans-67.9-19175-78.6-175.9-12.300113.3
52K56.4Low54.5Low189 Ų189129.8 Ų129.882%0.82266%0.658SS**THydrogen-bonded Turntrans-84.9-18.1177.1-73-177.4177.6175.30113.6E49 L50E49-K52 PolarHBondContact O-N 3.11Å; L50-K52 PolarHBondContact O-N 2.96Å
53T50.2Low53.6Low104 Ų104133.4 Ų133.464%0.63866%0.663SS**SBendtrans-101.6-0.3-175.252.70000114.1L50L50-T53 PolarHBondContact O-N 3.15Å; L50-T53 PolarHBondContact O-OG1 3.09Å; L50-T53 VanDerWaalsContact O-OG1 3.11Å
54L48.1Very low52.5Low128 Ų128127.3 Ų127.367%0.6765%0.65SS**SBendtrans-80.7132.4173.6-69.2169.9000110.1
55P42.8Very low51.7Low106 Ų106129.1 Ų129.169%0.68865%0.648SS**PPolyproline II helixtrans-59148.1174.523-30.6000110.3V57P55-V57 PolarHBondContact O-N 3.43Å
56P55.1Low51.4Low120 Ų120131 Ų13178%0.77964%0.643SS**PPolyproline II helixtrans-58.2128-174.9-18.929.5000110.7R58P56-R58 PolarHBondContact O-N 2.91Å
57V50.1Low51.5Low124 Ų124132 Ų13275%0.75265%0.647SS**PPolyproline II helixtrans-53118.2175.9-179.10000109P55 N59 K60P55-V57 PolarHBondContact O-N 3.43Å; V57-N59 PolarHBondContact O-N 3.12Å; V57-K60 PolarHBondContact O-N 3.08Å
58R46.1Very low51.5Low245 Ų245133.6 Ų133.693%0.92565%0.649SS**THydrogen-bonded Turntrans-65.564.5-178.2-173.1-177.1176.2149.1-2.9111.1P56P56-R58 PolarHBondContact O-N 2.91Å
59N51.2Low51.4Low89 Ų89132.4 Ų132.448%0.47664%0.641SS.*THydrogen-bonded Turntrans-171.46.8163.3-117.7-12.6000114.9V57 G61 Y62 R63V57-N59 PolarHBondContact O-N 3.12Å; N59-G61 VanDerWaalsContact C-N 3.31Å; N59-G61 PolarHBondContact O-N 3.36Å; N59-Y62 PolarHBondContact O-N 2.96Å; N59-Y62 WeakPolarHBondContact OD1-CB 3.49Å; N59-R63 WeakPolarHBondContact O-CG 3.38Å; N59-R63 PolarHBondContact O-N 3.35Å
60K57.6Low51.6Low175 Ų175136.7 Ų136.776%0.76165%0.653SS**Hα-helixtrans-59.6-40.7-178.9-125.8178.1-177.1178.90112.7V57 S64V57-K60 PolarHBondContact O-N 3.08Å; K60-S64 PolarHBondContact O-N 3.36Å; K60-S64 VanDerWaalsContact O-N 3.12Å; K60-S64 PolarHBondContact O-OG 3.31Å
61G49.9Very low51.7Low45 Ų45141.2 Ų141.246%0.46466%0.662SS.*Hα-helixtrans-72.8-26.617800000114.3N59 S64 K65N59-G61 VanDerWaalsContact C-N 3.31Å; N59-G61 PolarHBondContact O-N 3.36Å; G61-S64 WeakPolarHBondContact CA-OG 3.44Å; G61-S64 PolarHBondContact O-OG 3.17Å; G61-K65 VanDerWaalsContact O-CG 3.28Å; G61-K65 WeakPolarHBondContact O-CG 3.4Å; G61-K65 PolarHBondContact O-N 3.44Å
62Y54.8Low51.5Low138 Ų138142.4 Ų142.454%0.54167%0.665SS.*Hα-helixtrans-73.6-45.7173.9-179.1-96.6000110.5N59 S64 K65 M66N59-Y62 PolarHBondContact O-N 2.96Å; N59-Y62 WeakPolarHBondContact OD1-CB 3.49Å; Y62-S64 VanDerWaalsContact C-N 3.32Å; Y62-S64 PolarHBondContact O-N 2.92Å; Y62-K65 PolarHBondContact O-N 2.8Å; Y62-M66 HydrophobicContact CE1-CG 4.14Å; Y62-M66 WeakPolarHBondContact O-CB 3.35Å; Y62-M66 PolarHBondContact O-N 3.35Å
63R52.3Low50.6Low193 Ų193140.3 Ų140.373%0.72866%0.658SS**Hα-helixtrans-62.7-36.1177.4-66.8-178.482.1146.44.8112.6N59 R67N59-R63 WeakPolarHBondContact O-CG 3.38Å; N59-R63 PolarHBondContact O-N 3.35Å; R63-R67 WeakPolarHBondContact O-CB 3.4Å; R63-R67 PolarHBondContact O-N 3.38Å; R63-R67 VanDerWaalsContact O-N 3.09Å
64S52.2Low49.9Very low64 Ų64139.1 Ų139.145%0.44866%0.659SS.*Hα-helixtrans-67.4-42.5174.761.80000112.1K60 G61 Y62 R67 E68K60-S64 PolarHBondContact O-N 3.36Å; K60-S64 VanDerWaalsContact O-N 3.12Å; K60-S64 PolarHBondContact O-OG 3.31Å; G61-S64 WeakPolarHBondContact CA-OG 3.44Å; G61-S64 PolarHBondContact O-OG 3.17Å; Y62-S64 VanDerWaalsContact C-N 3.32Å; Y62-S64 PolarHBondContact O-N 2.92Å; S64-R67 PolarHBondContact O-N 3.47Å; S64-E68 WeakPolarHBondContact O-CB 3.11Å; S64-E68 PolarHBondContact O-N 3.43Å
65K57.4Low49.2Very low153 Ų153138.8 Ų138.867%0.66566%0.664SS**Hα-helixtrans-66.2-40176.8-74.5177.3-179.7-176.80112.5G61 Y62 E68 K69G61-K65 VanDerWaalsContact O-CG 3.28Å; G61-K65 WeakPolarHBondContact O-CG 3.4Å; G61-K65 PolarHBondContact O-N 3.44Å; Y62-K65 PolarHBondContact O-N 2.8Å; K65-E68 PolarHBondContact O-N 3.12Å; K65-K69 WeakPolarHBondContact O-CB 3.34Å; K65-K69 PolarHBondContact O-N 3.33Å
66M51.8Low49.1Very low95 Ų95139 Ų13947%0.46868%0.675SS.*Hα-helixtrans-62.3-42.6175-112.3-84.6-151.700111.8Y62 E68 K69 R70Y62-M66 HydrophobicContact CE1-CG 4.14Å; Y62-M66 WeakPolarHBondContact O-CB 3.35Å; Y62-M66 PolarHBondContact O-N 3.35Å; M66-E68 VanDerWaalsContact C-N 3.33Å; M66-E68 PolarHBondContact O-N 2.73Å; M66-K69 PolarHBondContact O-N 3.01Å; M66-R70 PolarHBondContact O-N 2.98Å
67R53.4Low47.9Very low190 Ų190137.8 Ų137.872%0.71768%0.675SS**Hα-helixtrans-66.1-35.7177.2-171.7173.6170.9-133.20.5112.4R63 S64 R71R63-R67 WeakPolarHBondContact O-CB 3.4Å; R63-R67 PolarHBondContact O-N 3.38Å; R63-R67 VanDerWaalsContact O-N 3.09Å; S64-R67 PolarHBondContact O-N 3.47Å; R67-R71 PolarHBondContact O-N 3.26Å
68E51.4Low47Very low114 Ų114140.2 Ų140.253%0.53368%0.684SS.*Hα-helixtrans-74.6-34.5176.6-160.7167.1-168.400112.4S64 K65 M66 R71 K72S64-E68 WeakPolarHBondContact O-CB 3.11Å; S64-E68 PolarHBondContact O-N 3.43Å; K65-E68 PolarHBondContact O-N 3.12Å; M66-E68 VanDerWaalsContact C-N 3.33Å; M66-E68 PolarHBondContact O-N 2.73Å; E68-R71 PolarHBondContact O-N 3.25Å; E68-K72 PolarHBondContact O-N 3.05Å
69K49.4Very low46.2Very low140 Ų140132 Ų13261%0.60968%0.675SS**Hα-helixtrans-68.2-41.8173.9-157.4178.2-175.4-173.40111.8K65 M66 R71 K72 Q73K65-K69 WeakPolarHBondContact O-CB 3.34Å; K65-K69 PolarHBondContact O-N 3.33Å; M66-K69 PolarHBondContact O-N 3.01Å; K69-R71 VanDerWaalsContact C-N 3.3Å; K69-R71 PolarHBondContact O-N 3.3Å; K69-K72 PolarHBondContact O-N 3.23Å; K69-Q73 PolarHBondContact O-N 3.36Å
70R53.2Low45.4Very low201 Ų201135 Ų13576%0.75869%0.692SS**Hα-helixtrans-60.8-36.3171-86.3-176.7158.5-160.8-2.9112.6M66 K72 Q73M66-R70 PolarHBondContact O-N 2.98Å; R70-K72 VanDerWaalsContact C-N 3.29Å; R70-K72 PolarHBondContact O-N 3.31Å; R70-Q73 PolarHBondContact O-N 2.84Å
71R50.2Low44.1Very low208 Ų208133.1 Ų133.179%0.78569%0.694SS**Hα-helixtrans-70-22177.2-125.2177.2-179.6-171.6-2.6114R67 E68 K69R67-R71 PolarHBondContact O-N 3.26Å; E68-R71 PolarHBondContact O-N 3.25Å; K69-R71 VanDerWaalsContact C-N 3.3Å; K69-R71 PolarHBondContact O-N 3.3Å
72K48.2Very low43.6Very low169 Ų169139 Ų13974%0.73572%0.715SS**THydrogen-bonded Turntrans-94.3-5.2179.6-73.6179.1178.31770113.9E68 K69 R70E68-K72 PolarHBondContact O-N 3.05Å; K69-K72 PolarHBondContact O-N 3.23Å; R70-K72 VanDerWaalsContact C-N 3.29Å; R70-K72 PolarHBondContact O-N 3.31Å
73Q38.1Very low42.4Very low145 Ų145136.6 Ų136.668%0.67872%0.724SS**SBendtrans-108.24.3-176.9-77.5-178.2-10.900114.7K69 R70K69-Q73 PolarHBondContact O-N 3.36Å; R70-Q73 PolarHBondContact O-N 2.84Å
74A33.9Very low41.5Very low79 Ų79136.7 Ų136.765%0.65373%0.733SS**PPolyproline II helixtrans-83.2127.817200000110.4
75P34.9Very low40.6Very low121 Ų121142 Ų14279%0.78675%0.751SS**PPolyproline II helixtrans-75.7142.6174.230.6-30.6000110.4A77P75-A77 PolarHBondContact O-N 3Å
76A39.9Very low39.5Very low110 Ų110140.6 Ų140.691%0.90976%0.757SS**PPolyproline II helixtrans-73.8120.1169.600000109.3
77A29.9Very low38.7Very low96 Ų96146.9 Ų146.979%0.79378%0.776SS**  trans-136.6117.616700000108.9P75P75-A77 PolarHBondContact O-N 3Å
78D32.3Very low38.2Very low175 Ų175143.9 Ų143.994%0.93678%0.781SS**  trans-63.3143.5166.5-73.3-54.6000110.6
79G29.1Very low38.1Very low71 Ų71143.1 Ų143.173%0.73279%0.794SS**  trans151.3102.6167.300000114.7
80D34.3Very low38.5Very low154 Ų154141.4 Ų141.482%0.82480%0.8SS**  trans-42.7126.4171.1-152-3.4000114.2
81T30.3Very low39.2Very low134 Ų134143.2 Ų143.282%0.82281%0.807SS**  trans-172.8121.2145.222.10000109.7A83T81-A83 PolarHBondContact O-N 3.5Å; T81-A83 VanDerWaalsContact O-N 3.15Å
82N39.1Very low40.3Very low168 Ų168136.1 Ų136.190%0.89878%0.784SS**  trans-59.1109.7174.6-80.9-59.5000112.1
83A30.1Very low41.6Very low88 Ų88136.1 Ų136.173%0.72778%0.784SS**  trans-146108152.800000107.6T81 E85T81-A83 PolarHBondContact O-N 3.5Å; T81-A83 VanDerWaalsContact O-N 3.15Å; A83-E85 PolarHBondContact O-N 3.42Å; A83-E85 VanDerWaalsContact O-N 3.11Å
84E32.6Very low43.1Very low196 Ų196133.7 Ų133.792%0.91678%0.783SS**  trans-60.8111.2174.8-82.5-174.213100110
85E32.3Very low44.8Very low175 Ų175135 Ų13582%0.81879%0.786SS**PPolyproline II helixtrans-66.4135.6163.2-71.3-173.3156.300110A83 R87A83-E85 PolarHBondContact O-N 3.42Å; A83-E85 VanDerWaalsContact O-N 3.11Å; E85-R87 PolarHBondContact O-N 3.2Å
86P34.8Very low46.9Very low124 Ų124133.1 Ų133.181%0.80577%0.77SS**PPolyproline II helixtrans-71.9120.4177.729.3-30.7000109.3
87R35Very low48.5Very low226 Ų226136.6 Ų136.685%0.85376%0.76SS**PPolyproline II helixtrans-57.8141.9171.5-61.2178.9-160.4175.36.8109.2E85 A89E85-R87 PolarHBondContact O-N 3.2Å; R87-A89 PolarHBondContact O-N 2.96Å; R87-A89 VanDerWaalsContact O-N 3.15Å
88P42.6Very low50.8Low127 Ų127142 Ų14283%0.82576%0.76SS**PPolyproline II helixtrans-57.8125.5176.724.1-32.4000108.9S90P88-S90 PolarHBondContact O-N 3.08Å
89A49.1Very low52.9Low99 Ų99134.9 Ų134.982%0.81873%0.725SS**PPolyproline II helixtrans-54.1129.4-173.800000110.1R87 R91R87-A89 PolarHBondContact O-N 2.96Å; R87-A89 VanDerWaalsContact O-N 3.15Å; A89-R91 PolarHBondContact O-N 3.22Å
90S59.5Low55.2Low104 Ų104137 Ų13773%0.72771%0.71SS**PPolyproline II helixtrans-58.4138.1172.647.40000109.1P88 L92P88-S90 PolarHBondContact O-N 3.08Å; S90-L92 PolarHBondContact O-N 3.05Å
91R66.7Low57.3Low239 Ų239136.9 Ų136.990%0.90271%0.71SS**PPolyproline II helixtrans-47.6116.5177.5-174.6178.5-178.3117.4-0.5109.6A89 K93A89-R91 PolarHBondContact O-N 3.22Å; R91-K93 PolarHBondContact O-N 3Å
92L73.1Confident59.6Low59 Ų59139.2 Ų139.231%0.30971%0.709SS.*PPolyproline II helixtrans-56.2128.5178.8-67.9174.7000109.1S90 W100 F103S90-L92 PolarHBondContact O-N 3.05Å; L92-W100 HydrophobicContact CB-CZ2 4.24Å; L92-F103 HydrophobicContact CD1-CB 3.96Å; L92-F103 HydrophobicContact CD1-CD2 3.58Å; L92-F103 HydrophobicContact CD1-CE2 4.3Å; L92-F103 HydrophobicContact CD1-CG 3.88Å
93K75.9Confident61.6Low168 Ų168135.4 Ų135.473%0.7368%0.684SS**PPolyproline II helixtrans-70138.8178-80.8175.4178.3173.10108.7R91 C95 D96 W100R91-K93 PolarHBondContact O-N 3Å; K93-C95 PolarHBondContact O-N 3.36Å; K93-D96 PolarHBondContact O-N 2.98Å; K93-W100 PolarHBondContact O-NE1 3.5Å
94S68.9Low63.9Low95 Ų95135.5 Ų135.566%0.66467%0.672SS**THydrogen-bonded Turntrans-60.4-18.3-177.154.60000114.4
95C70.1Confident66.2Low105 Ų105129.9 Ų129.971%0.70965%0.651SS**THydrogen-bonded Turntrans-94.9-6.6-174-38.40000114K93 Y97K93-C95 PolarHBondContact O-N 3.36Å; C95-Y97 PolarHBondContact O-N 3.23Å
96D78.8Confident68.3Low83 Ų83127.6 Ų127.644%0.44465%0.645SS.*  trans-101.474.4-173.3-174.917.1000111.8K93 R98 S99 W100K93-D96 PolarHBondContact O-N 2.98Å; D96-R98 PolarHBondContact O-N 2.89Å; D96-R98 VanDerWaalsContact O-N 3.07Å; D96-S99 WeakPolarHBondContact CB-OG 3.42Å; D96-S99 PolarHBondContact O-N 2.6Å; D96-S99 PolarHBondContact O-OG 3.03Å; D96-S99 WeakPolarHBondContact OD2-CB 3.4Å; D96-S99 PolarHBondContact OD2-OG 3.37Å; D96-W100 VanDerWaalsContact O-CD1 3.27Å; D96-W100 PolarHBondContact O-N 3.27Å
97Y74.5Confident70.6Confident182 Ų182127.8 Ų127.871%0.71463%0.633SS**Hα-helixtrans-55.5-28.5-175.6-72.4-85000114.2C95 S99 W100 D101C95-Y97 PolarHBondContact O-N 3.23Å; Y97-S99 VanDerWaalsContact C-N 3.33Å; Y97-S99 PolarHBondContact O-N 3.06Å; Y97-W100 PolarHBondContact O-N 2.92Å; Y97-D101 PolarHBondContact O-N 3.18Å
98R76.9Confident72.6Confident209 Ų209118.3 Ų118.379%0.78960%0.603SS**Hα-helixtrans-70.5-26.6178.7-77.4-171.9171.4-172.9-1.6113.8D96D96-R98 PolarHBondContact O-N 2.89Å; D96-R98 VanDerWaalsContact O-N 3.07Å
99S77.9Confident74.1Confident27 Ų27116.2 Ų116.219%0.18958%0.584CS.*Hα-helixtrans-85.4-26173.951.40000112.1D96 Y97 K102 F103D96-S99 WeakPolarHBondContact CB-OG 3.42Å; D96-S99 PolarHBondContact O-N 2.6Å; D96-S99 PolarHBondContact O-OG 3.03Å; D96-S99 WeakPolarHBondContact OD2-CB 3.4Å; D96-S99 PolarHBondContact OD2-OG 3.37Å; Y97-S99 VanDerWaalsContact C-N 3.33Å; Y97-S99 PolarHBondContact O-N 3.06Å; S99-K102 PolarHBondContact O-N 3.3Å; S99-F103 PolarHBondContact O-N 2.78Å
100W77.1Confident75.5Confident115 Ų115114.2 Ų114.244%0.43657%0.568SS.*Hα-helixtrans-68.9-38.6170-7694.3000113.1L92 K93 D96 Y97 K102 F103L92-W100 HydrophobicContact CB-CZ2 4.24Å; K93-W100 PolarHBondContact O-NE1 3.5Å; D96-W100 VanDerWaalsContact O-CD1 3.27Å; D96-W100 PolarHBondContact O-N 3.27Å; Y97-W100 PolarHBondContact O-N 2.92Å; W100-K102 PolarHBondContact O-N 3.2Å; W100-K102 VanDerWaalsContact O-N 3.16Å; W100-F103 HydrophobicContact CE3-CD1 4.49Å; W100-F103 HydrophobicContact CZ3-CD1 4.45Å; W100-F103 WeakPolarHBondContact O-CB 3.45Å; W100-F103 PolarHBondContact O-N 3Å
101D77.4Confident76.4Confident151 Ų151115 Ų11581%0.80756%0.56SS**THydrogen-bonded Turntrans-62-22.9175.9-94.7-6.1000113.6Y97Y97-D101 PolarHBondContact O-N 3.18Å
102K79.6Confident76.6Confident184 Ų184109.5 Ų109.580%0.855%0.546SS*.THydrogen-bonded Turntrans-99.2-0.6177.9-62-178.9-177.2-176.50112.8S99 W100S99-K102 PolarHBondContact O-N 3.3Å; W100-K102 PolarHBondContact O-N 3.2Å; W100-K102 VanDerWaalsContact O-N 3.16Å
103F80.3Confident76.5Confident88 Ų88111.1 Ų111.139%0.38656%0.555SS.*  trans-84.3117.8-178.6-177.2-105000109.5L92 S99 W100 V105 A108L92-F103 HydrophobicContact CD1-CB 3.96Å; L92-F103 HydrophobicContact CD1-CD2 3.58Å; L92-F103 HydrophobicContact CD1-CE2 4.3Å; L92-F103 HydrophobicContact CD1-CG 3.88Å; S99-F103 PolarHBondContact O-N 2.78Å; W100-F103 HydrophobicContact CE3-CD1 4.49Å; W100-F103 HydrophobicContact CZ3-CD1 4.45Å; W100-F103 WeakPolarHBondContact O-CB 3.45Å; W100-F103 PolarHBondContact O-N 3Å; F103-V105 HydrophobicContact CD1-CG2 3.87Å; F103-V105 HydrophobicContact CE1-CG2 4.24Å; F103-V105 PolarHBondContact O-N 3.24Å; F103-V105 VanDerWaalsContact O-N 3.14Å; F103-A108 HydrophobicContact CE1-CB 3.95Å; F103-A108 HydrophobicContact CE2-CB 4.38Å; F103-A108 HydrophobicContact CZ-CB 3.5Å
104D79.1Confident76.3Confident90 Ų90110.6 Ų110.648%0.48155%0.553SS.*  trans-80.295.1178.6-170.4-22.6000109.6D106 K107 A108D104-D106 VanDerWaalsContact C-N 3.32Å; D104-D106 PolarHBondContact OD1-N 2.8Å; D104-K107 HydrophobicContact CB-CB 4.05Å; D104-K107 PolarHBondContact OD1-N 2.83Å; D104-A108 PolarHBondContact O-N 3.18Å
105V79.8Confident75.8Confident78 Ų78112.4 Ų112.447%0.47355%0.551SS.*Hα-helixtrans-64.1-39-177.4179.50000110.9F103 A108 L109F103-V105 HydrophobicContact CD1-CG2 3.87Å; F103-V105 HydrophobicContact CE1-CG2 4.24Å; F103-V105 PolarHBondContact O-N 3.24Å; F103-V105 VanDerWaalsContact O-N 3.14Å; V105-A108 PolarHBondContact O-N 2.71Å; V105-L109 HydrophobicContact CG1-CD1 3.84Å; V105-L109 HydrophobicContact CG1-CG 4.26Å; V105-L109 WeakPolarHBondContact O-CB 3.42Å; V105-L109 WeakPolarHBondContact O-CG 3.26Å; V105-L109 PolarHBondContact O-N 3.39Å
106D76.6Confident75.1Confident126 Ų126109.6 Ų109.667%0.67454%0.535SS*.Hα-helixtrans-68.1-39.5-176.5-63.6-34.2000110.9D104 L109 A110D104-D106 VanDerWaalsContact C-N 3.32Å; D104-D106 PolarHBondContact OD1-N 2.8Å; D106-L109 PolarHBondContact O-N 3.44Å; D106-A110 WeakPolarHBondContact O-CB 3.43Å; D106-A110 PolarHBondContact O-N 3.24Å
107K82.9Confident73.7Confident128 Ų128112.4 Ų112.456%0.55755%0.546SS*.Hα-helixtrans-66-39.9173.5-172.6177.4179.2-178.40112.7D104 A110 E111D104-K107 HydrophobicContact CB-CB 4.05Å; D104-K107 PolarHBondContact OD1-N 2.83Å; K107-A110 PolarHBondContact O-N 3.38Å; K107-E111 PolarHBondContact O-N 3.01Å
108A77.3Confident72.5Confident27 Ų27107.2 Ų107.222%0.22354%0.536CS..Hα-helixtrans-68.7-37.7178.200000112.3F103 D104 V105 E111 M112F103-A108 HydrophobicContact CE1-CB 3.95Å; F103-A108 HydrophobicContact CE2-CB 4.38Å; F103-A108 HydrophobicContact CZ-CB 3.5Å; D104-A108 PolarHBondContact O-N 3.18Å; V105-A108 PolarHBondContact O-N 2.71Å; A108-E111 PolarHBondContact O-N 3.42Å; A108-M112 WeakPolarHBondContact O-CG 3.15Å; A108-M112 PolarHBondContact O-N 3.3Å
109L73.6Confident71.1Confident84 Ų84102.4 Ų102.444%0.4453%0.526SS..Hα-helixtrans-64.7-45.5172.7-75170.6000110.9V105 D106 E111 M112 D113V105-L109 HydrophobicContact CG1-CD1 3.84Å; V105-L109 HydrophobicContact CG1-CG 4.26Å; V105-L109 WeakPolarHBondContact O-CB 3.42Å; V105-L109 WeakPolarHBondContact O-CG 3.26Å; V105-L109 PolarHBondContact O-N 3.39Å; D106-L109 PolarHBondContact O-N 3.44Å; L109-E111 VanDerWaalsContact C-N 3.31Å; L109-E111 PolarHBondContact O-N 3.27Å; L109-M112 PolarHBondContact O-N 2.93Å; L109-M112 VanDerWaalsContact O-N 3.12Å; L109-D113 WeakPolarHBondContact O-CB 3.46Å; L109-D113 VanDerWaalsContact O-CG 3.25Å; L109-D113 PolarHBondContact O-N 3.08Å
110A79.1Confident69.4Low57 Ų57108.9 Ų108.947%0.47155%0.553SS.*Hα-helixtrans-61.8-35.717700000113.2D106 K107 K114D106-A110 WeakPolarHBondContact O-CB 3.43Å; D106-A110 PolarHBondContact O-N 3.24Å; K107-A110 PolarHBondContact O-N 3.38Å; A110-K114 WeakPolarHBondContact O-CB 3.49Å; A110-K114 PolarHBondContact O-N 2.93Å
111E79.1Confident67.5Low120 Ų120107.4 Ų107.456%0.56156%0.56SS**Hα-helixtrans-69.4-40.4172.7-81.9179-176.500112.2K107 A108 L109 K114 E115K107-E111 PolarHBondContact O-N 3.01Å; A108-E111 PolarHBondContact O-N 3.42Å; L109-E111 VanDerWaalsContact C-N 3.31Å; L109-E111 PolarHBondContact O-N 3.27Å; E111-K114 PolarHBondContact O-N 3.37Å; E111-E115 PolarHBondContact O-N 2.98Å
112M70.6Confident66Low123 Ų123106 Ų10661%0.60655%0.553SS**Hα-helixtrans-64.9-39.9174.8-79.6-172.155.400112.4A108 L109 K114 E115 A116A108-M112 WeakPolarHBondContact O-CG 3.15Å; A108-M112 PolarHBondContact O-N 3.3Å; L109-M112 PolarHBondContact O-N 2.93Å; L109-M112 VanDerWaalsContact O-N 3.12Å; M112-K114 VanDerWaalsContact C-N 3.34Å; M112-E115 CarbonylContact O-C 3.46Å; M112-E115 PolarHBondContact O-N 3.07Å; M112-A116 WeakPolarHBondContact O-CB 3.47Å; M112-A116 PolarHBondContact O-N 3.19Å
113D71.6Confident64.3Low94 Ų94105.1 Ų105.150%0.50355%0.552SS.*Hα-helixtrans-68.2-36.8177.5-68.5-20.1000110.4L109 E115 A116 E117L109-D113 WeakPolarHBondContact O-CB 3.46Å; L109-D113 VanDerWaalsContact O-CG 3.25Å; L109-D113 PolarHBondContact O-N 3.08Å; D113-E115 PolarHBondContact O-N 3.41Å; D113-A116 CarbonylContact O-C 3.59Å; D113-A116 PolarHBondContact O-N 3.39Å; D113-E117 WeakPolarHBondContact O-CB 3.15Å; D113-E117 WeakPolarHBondContact O-CG 3.43Å; D113-E117 PolarHBondContact O-N 3.42Å
114K72.1Confident63.1Low156 Ų156110 Ų11068%0.67858%0.575SS**Hα-helixtrans-64.8-38.2172.1-133.2173.3-173.7174.20113A110 E111 M112 S118A110-K114 WeakPolarHBondContact O-CB 3.49Å; A110-K114 PolarHBondContact O-N 2.93Å; E111-K114 PolarHBondContact O-N 3.37Å; M112-K114 VanDerWaalsContact C-N 3.34Å; K114-S118 PolarHBondContact O-N 2.73Å
115E58.1Low61.9Low133 Ų133113.8 Ų113.862%0.62159%0.59SS**Hα-helixtrans-69.9-34.1172.1-74.4-170.9169.100111.6E111 M112 D113 S118 N119E111-E115 PolarHBondContact O-N 2.98Å; M112-E115 CarbonylContact O-C 3.46Å; M112-E115 PolarHBondContact O-N 3.07Å; D113-E115 PolarHBondContact O-N 3.41Å; E115-S118 PolarHBondContact O-N 2.88Å; E115-S118 PolarHBondContact O-OG 2.96Å; E115-N119 PolarHBondContact O-N 2.92Å; E115-N119 PolarHBondContact O-ND2 3.03Å
116A54.3Low61.1Low47 Ų47112.3 Ų112.339%0.38858%0.581SS.*Hα-helixtrans-70.3-43.1175.900000111.9M112 D113 S118 N119 E120M112-A116 WeakPolarHBondContact O-CB 3.47Å; M112-A116 PolarHBondContact O-N 3.19Å; D113-A116 CarbonylContact O-C 3.59Å; D113-A116 PolarHBondContact O-N 3.39Å; A116-S118 PolarHBondContact O-N 3.41Å; A116-N119 CarbonylContact O-C 3.33Å; A116-N119 PolarHBondContact O-N 3.12Å; A116-E120 PolarHBondContact O-N 3.39Å
117E50.5Low61.2Low142 Ų142109.9 Ų109.966%0.66457%0.569SS**Hα-helixtrans-58.7-36172.3-76.2178172.700111.6D113 N119D113-E117 WeakPolarHBondContact O-CB 3.15Å; D113-E117 WeakPolarHBondContact O-CG 3.43Å; D113-E117 PolarHBondContact O-N 3.42Å; E117-N119 VanDerWaalsContact C-N 3.3Å; E117-N119 PolarHBondContact O-N 3.33Å
118S49.7Very low61.3Low73 Ų73110.1 Ų110.151%0.5157%0.569SS.*Hα-helixtrans-71.6-21174.376.10000114.3K114 E115 A116K114-S118 PolarHBondContact O-N 2.73Å; E115-S118 PolarHBondContact O-N 2.88Å; E115-S118 PolarHBondContact O-OG 2.96Å; A116-S118 PolarHBondContact O-N 3.41Å
119N47.1Very low61.8Low108 Ų108115 Ų11558%0.57859%0.592SS**Hα-helixtrans-98.3-21.2177.8-72.6-57.8000113E115 A116 E117 S121 D122E115-N119 PolarHBondContact O-N 2.92Å; E115-N119 PolarHBondContact O-ND2 3.03Å; A116-N119 CarbonylContact O-C 3.33Å; A116-N119 PolarHBondContact O-N 3.12Å; E117-N119 VanDerWaalsContact C-N 3.3Å; E117-N119 PolarHBondContact O-N 3.33Å; N119-S121 VanDerWaalsContact C-N 3.3Å; N119-D122 PolarHBondContact O-N 2.94Å
120E40.7Very low62.5Low163 Ų163117.5 Ų117.576%0.76260%0.595SS**Hα-helixtrans-76.1-18.3172.1-84.7-144.1158.600113A116 D122A116-E120 PolarHBondContact O-N 3.39Å; E120-D122 PolarHBondContact O-N 3.36Å
121S37.3Very low63Low83 Ų83114.8 Ų114.858%0.5857%0.573SS**THydrogen-bonded Turntrans-72.2-8.6170.6-166.60000113.5N119 Q123N119-S121 VanDerWaalsContact C-N 3.3Å; S121-Q123 PolarHBondContact O-N 3.09Å
122D46.4Very low63.6Low123 Ų123112.8 Ų112.866%0.65857%0.566SS**  trans-86.946.6172.5-72.3-19.3000111N119 E120 E124N119-D122 PolarHBondContact O-N 2.94Å; E120-D122 PolarHBondContact O-N 3.36Å; D122-E124 PolarHBondContact O-N 3.48Å
123Q45.2Very low64.8Low165 Ų165109.3 Ų109.377%0.77156%0.557SS**SBendtrans-59122.4150.5-74.8172.60.800105.4S121 E125S121-Q123 PolarHBondContact O-N 3.09Å; Q123-E125 VanDerWaalsContact C-N 3.32Å; Q123-E125 PolarHBondContact O-N 3.2Å
124E54Low65.8Low189 Ų189106.3 Ų106.388%0.88354%0.54SS*.  trans-33.793.3-177.1-65.1-175163.500111.2D122 V126D122-E124 PolarHBondContact O-N 3.48Å; E124-V126 VanDerWaalsContact C-N 3.3Å; E124-V126 PolarHBondContact O-N 3.29Å
125E54.3Low66.9Low171 Ų171100.7 Ų100.780%0.79952%0.515SS*.  trans-65.7104.6178.4-84.2-158.2153.800104.3Q123 D127Q123-E125 VanDerWaalsContact C-N 3.32Å; Q123-E125 PolarHBondContact O-N 3.2Å; E125-D127 PolarHBondContact O-N 3.38Å
126V62Low68.7Low47 Ų4798.4 Ų98.429%0.28551%0.505SS..  trans-51.6108170.6175.80000105.4E124 K128 A160 D161 Y163E124-V126 VanDerWaalsContact C-N 3.3Å; E124-V126 PolarHBondContact O-N 3.29Å; V126-K128 HydrophobicContact CB-CG 4.48Å; V126-K128 HydrophobicContact CG1-CG 3.87Å; V126-K128 PolarHBondContact O-N 3.05Å; V126-A160 WeakPolarHBondContact CG1-O 3.39Å; V126-D161 HydrophobicContact CG1-CB 3.77Å; V126-D161 WeakPolarHBondContact CG1-OD1 3.07Å; V126-Y163 HydrophobicContact CG2-CD2 4.25Å; V126-Y163 HydrophobicContact CG2-CE2 4.11Å
127D79.8Confident70.6Confident75 Ų7599.6 Ų99.640%0.40150%0.504SS..  trans-79.571.7-172.7-165.9-12.5000107.4E125 D129 R130 A131 A160E125-D127 PolarHBondContact O-N 3.38Å; D127-D129 PolarHBondContact O-N 3.33Å; D127-R130 HydrophobicContact CB-CB 3.91Å; D127-R130 WeakPolarHBondContact O-CB 3.4Å; D127-R130 PolarHBondContact O-N 3.17Å; D127-R130 VanDerWaalsContact O-N 3.1Å; D127-R130 VanDerWaalsContact OD1-CB 3.29Å; D127-R130 WeakPolarHBondContact OD1-CB 3.28Å; D127-R130 PolarHBondContact OD1-N 3.46Å; D127-R130 WeakPolarHBondContact OD2-CB 3.36Å; D127-R130 WeakPolarHBondContact OD2-CD 3.36Å; D127-A131 PolarHBondContact O-N 3.42Å; D127-A160 PolarHBondContact N-O 2.97Å
128K84Confident72.8Confident132 Ų13292.8 Ų92.857%0.57447%0.473SS*.Hα-helixtrans-57.8-37-174.3-69.9176.4-175.7172.10110.8V126 A131 L132V126-K128 HydrophobicContact CB-CG 4.48Å; V126-K128 HydrophobicContact CG1-CG 3.87Å; V126-K128 PolarHBondContact O-N 3.05Å; K128-A131 PolarHBondContact O-N 3.25Å; K128-L132 WeakPolarHBondContact O-CB 3.46Å; K128-L132 VanDerWaalsContact O-CG 3.25Å; K128-L132 WeakPolarHBondContact O-CG 3.28Å; K128-L132 PolarHBondContact O-N 3.41Å
129D87.4Confident74.9Confident129 Ų12991.1 Ų91.169%0.6946%0.458SS*.Hα-helixtrans-66.6-42.5177.9-71.3-18.1000111.3D127 L132 A133D127-D129 PolarHBondContact O-N 3.33Å; D129-L132 PolarHBondContact O-N 3.31Å; D129-A133 WeakPolarHBondContact O-CB 3.48Å; D129-A133 PolarHBondContact O-N 3.13Å
130R88.6Confident77.3Confident137 Ų13791.8 Ų91.852%0.51746%0.456SS..Hα-helixtrans-64.3-41.6173-177.9177.1179.3-177.4-3.6112.3D127 L132 A133 E134 A160D127-R130 HydrophobicContact CB-CB 3.91Å; D127-R130 WeakPolarHBondContact O-CB 3.4Å; D127-R130 PolarHBondContact O-N 3.17Å; D127-R130 VanDerWaalsContact O-N 3.1Å; D127-R130 VanDerWaalsContact OD1-CB 3.29Å; D127-R130 WeakPolarHBondContact OD1-CB 3.28Å; D127-R130 PolarHBondContact OD1-N 3.46Å; D127-R130 WeakPolarHBondContact OD2-CB 3.36Å; D127-R130 WeakPolarHBondContact OD2-CD 3.36Å; R130-L132 VanDerWaalsContact C-N 3.34Å; R130-L132 PolarHBondContact O-N 2.98Å; R130-A133 PolarHBondContact O-N 3.44Å; R130-E134 WeakPolarHBondContact O-CG 3.4Å; R130-E134 PolarHBondContact O-N 2.91Å; R130-A160 HydrophobicContact CB-CB 4.43Å; R130-A160 HydrophobicContact CG-CB 4.24Å
131A90.9Very high79.9Confident0 Ų085.3 Ų85.30%043%0.426CS..Hα-helixtrans-62.3-41176.100000111.9D127 K128 K135 A160 D161 L167D127-A131 PolarHBondContact O-N 3.42Å; K128-A131 PolarHBondContact O-N 3.25Å; A131-K135 VanDerWaalsContact O-CB 3.26Å; A131-K135 WeakPolarHBondContact O-CB 3.45Å; A131-K135 PolarHBondContact O-N 3.48Å; A131-A160 HydrophobicContact CB-CB 4.04Å; A131-D161 HydrophobicContact CB-CB 3.38Å; A131-L167 HydrophobicContact CB-CD1 4.39Å
132L91.7Very high82.7Confident78 Ų7883.6 Ų83.641%0.40841%0.408SS..Hα-helixtrans-65.4-41.4174.4-72.5171.9000112.1K128 D129 R130 K135 E136K128-L132 WeakPolarHBondContact O-CB 3.46Å; K128-L132 VanDerWaalsContact O-CG 3.25Å; K128-L132 WeakPolarHBondContact O-CG 3.28Å; K128-L132 PolarHBondContact O-N 3.41Å; D129-L132 PolarHBondContact O-N 3.31Å; R130-L132 VanDerWaalsContact C-N 3.34Å; R130-L132 PolarHBondContact O-N 2.98Å; L132-K135 WeakPolarHBondContact O-CB 3.45Å; L132-K135 PolarHBondContact O-N 3.49Å; L132-E136 WeakPolarHBondContact O-CG 3.47Å; L132-E136 PolarHBondContact O-N 3.26Å
133A94.1Very high85.1Confident51 Ų5186.5 Ų86.542%0.42142%0.415SS..Hα-helixtrans-63.2-46.9176.600000112.1D129 R130 K135 E136 N137D129-A133 WeakPolarHBondContact O-CB 3.48Å; D129-A133 PolarHBondContact O-N 3.13Å; R130-A133 PolarHBondContact O-N 3.44Å; A133-K135 VanDerWaalsContact C-N 3.33Å; A133-K135 PolarHBondContact O-N 3.38Å; A133-E136 PolarHBondContact O-N 3.5Å; A133-N137 VanDerWaalsContact O-CG 3.27Å; A133-N137 PolarHBondContact O-N 2.95Å; A133-N137 PolarHBondContact O-ND2 3.33Å
134E94.2Very high87.5Confident30 Ų3084.6 Ų84.614%0.1441%0.406CS..Hα-helixtrans-64.7-36.6176.2-70.3-73.3-178.300111.8R130 N137 G138 R156R130-E134 WeakPolarHBondContact O-CG 3.4Å; R130-E134 PolarHBondContact O-N 2.91Å; E134-N137 PolarHBondContact O-N 2.93Å; E134-G138 PolarHBondContact O-N 2.86Å; E134-R156 HydrophobicContact CG-CB 4.33Å; E134-R156 IonicContact OE1-NE 3.01Å; E134-R156 PolarHBondContact OE1-NE 3.33Å; E134-R156 IonicContact OE2-CZ 3.22Å; E134-R156 IonicContact OE2-NE 2.65Å; E134-R156 PolarHBondContact OE2-NE 3Å; E134-R156 IonicContact OE2-NH2 4Å; E134-R156 PolarHBondContact OE2-NH2 3.03Å
135K94.9Very high89.4Confident38 Ų3877.2 Ų77.217%0.16538%0.381CS..Hα-helixtrans-60.4-48172.4-175.7-153.568170.80111.5A131 L132 A133 G138 N139 V166 L167A131-K135 VanDerWaalsContact O-CB 3.26Å; A131-K135 WeakPolarHBondContact O-CB 3.45Å; A131-K135 PolarHBondContact O-N 3.48Å; L132-K135 WeakPolarHBondContact O-CB 3.45Å; L132-K135 PolarHBondContact O-N 3.49Å; A133-K135 VanDerWaalsContact C-N 3.33Å; A133-K135 PolarHBondContact O-N 3.38Å; K135-G138 PolarHBondContact O-N 3.48Å; K135-N139 WeakPolarHBondContact O-CB 3.47Å; K135-N139 PolarHBondContact O-N 3.46Å; K135-N139 PolarHBondContact O-ND2 3.28Å; K135-N139 PolarHBondContact O-OD1 3.22Å; K135-V166 HydrophobicContact CD-CG1 4.46Å; K135-L167 HydrophobicContact CB-CD2 3.74Å; K135-L167 HydrophobicContact CG-CD2 4.03Å
136E95.8Very high91.4Very high86 Ų8673.7 Ų73.740%0.40236%0.363SS..Hα-helixtrans-66.8-36.4178.5-67.9-52143.600112.3L132 A133 N139 K140L132-E136 WeakPolarHBondContact O-CG 3.47Å; L132-E136 PolarHBondContact O-N 3.26Å; A133-E136 PolarHBondContact O-N 3.5Å; E136-N139 WeakPolarHBondContact O-CB 3.46Å; E136-N139 PolarHBondContact O-N 3.19Å; E136-N139 PolarHBondContact OE2-ND2 3.46Å; E136-K140 WeakPolarHBondContact O-CG 3.11Å; E136-K140 PolarHBondContact O-N 3.28Å
137N94.4Very high93Very high71 Ų7174.5 Ų74.538%0.3836%0.362SS..Hα-helixtrans-64.2-45.9173.1-71-21.7000111.6A133 E134 N139 K140 L141A133-N137 VanDerWaalsContact O-CG 3.27Å; A133-N137 PolarHBondContact O-N 2.95Å; A133-N137 PolarHBondContact O-ND2 3.33Å; E134-N137 PolarHBondContact O-N 2.93Å; N137-N139 VanDerWaalsContact C-N 3.28Å; N137-N139 PolarHBondContact O-N 3.44Å; N137-K140 WeakPolarHBondContact O-CB 3.46Å; N137-K140 PolarHBondContact O-N 2.91Å; N137-K140 VanDerWaalsContact O-N 3.17Å; N137-L141 WeakPolarHBondContact O-CG 3.35Å; N137-L141 PolarHBondContact O-N 3.37Å
138G95.4Very high93.7Very high0 Ų075.5 Ų75.50%037%0.367CS..Hα-helixtrans-58.1-40.3172.900000112.2E134 K135 K140 L141 F142 Y154E134-G138 PolarHBondContact O-N 2.86Å; K135-G138 PolarHBondContact O-N 3.48Å; G138-K140 PolarHBondContact O-N 2.98Å; G138-L141 PolarHBondContact O-N 3.24Å; G138-F142 VanDerWaalsContact O-CB 3.27Å; G138-F142 WeakPolarHBondContact O-CB 3.45Å; G138-F142 PolarHBondContact O-N 3.48Å; G138-Y154 PolarHBondContact O-OH 2.91Å
139N95.3Very high94.2Very high38 Ų3873.7 Ų73.720%0.20336%0.36CS..Hα-helixtrans-64.4-37.6176.6-70.7-19.5000112.4K135 E136 N137 K143 Y154 N170K135-N139 WeakPolarHBondContact O-CB 3.47Å; K135-N139 PolarHBondContact O-N 3.46Å; K135-N139 PolarHBondContact O-ND2 3.28Å; K135-N139 PolarHBondContact O-OD1 3.22Å; E136-N139 WeakPolarHBondContact O-CB 3.46Å; E136-N139 PolarHBondContact O-N 3.19Å; E136-N139 PolarHBondContact OE2-ND2 3.46Å; N137-N139 VanDerWaalsContact C-N 3.28Å; N137-N139 PolarHBondContact O-N 3.44Å; N139-K143 WeakPolarHBondContact O-CG 3.38Å; N139-K143 PolarHBondContact O-N 3Å; N139-K143 VanDerWaalsContact O-N 3.15Å; N139-Y154 WeakPolarHBondContact CA-OH 3.49Å; N139-Y154 PolarHBondContact N-OH 3.04Å; N139-Y154 PolarHBondContact OD1-OH 3.49Å; N139-N170 PolarHBondContact OD1-ND2 3.49Å
140K96.6Very high94.7Very high121 Ų12167.5 Ų67.553%0.52633%0.327SS..Hα-helixtrans-64.6-50.7174.9-70.8170.8-174.3172.30110.8E136 N137 G138 F142 K143 E144E136-K140 WeakPolarHBondContact O-CG 3.11Å; E136-K140 PolarHBondContact O-N 3.28Å; N137-K140 WeakPolarHBondContact O-CB 3.46Å; N137-K140 PolarHBondContact O-N 2.91Å; N137-K140 VanDerWaalsContact O-N 3.17Å; G138-K140 PolarHBondContact O-N 2.98Å; K140-F142 VanDerWaalsContact C-N 3.28Å; K140-F142 PolarHBondContact O-N 3.11Å; K140-K143 WeakPolarHBondContact O-CB 3.45Å; K140-K143 PolarHBondContact O-N 3.43Å; K140-K143 VanDerWaalsContact O-N 3.07Å; K140-E144 WeakPolarHBondContact O-CG 3.44Å; K140-E144 PolarHBondContact O-N 2.98Å
141L96.4Very high95Very high27 Ų2761.9 Ų61.914%0.14131%0.307CS..Hα-helixtrans-61.8-36.9178.4-68.4168.7000112.4N137 G138 K143 E144 G145 K146 E149 A150 C153N137-L141 WeakPolarHBondContact O-CG 3.35Å; N137-L141 PolarHBondContact O-N 3.37Å; G138-L141 PolarHBondContact O-N 3.24Å; L141-K143 VanDerWaalsContact C-N 3.34Å; L141-K143 PolarHBondContact O-N 3.26Å; L141-E144 CarbonylContact O-C 3.59Å; L141-E144 PolarHBondContact O-N 3.23Å; L141-G145 PolarHBondContact O-N 3.08Å; L141-G145 VanDerWaalsContact O-N 3.13Å; L141-K146 HydrophobicContact CD2-CD 4.11Å; L141-K146 PolarHBondContact O-N 2.75Å; L141-E149 HydrophobicContact CD1-CB 4Å; L141-A150 HydrophobicContact CB-CB 3.99Å; L141-C153 WeakPolarHBondContact CD1-SG 3.48Å
142F96.3Very high95.3Very high48 Ų4867.6 Ų67.621%0.21133%0.334CS..Hα-helixtrans-62.2-41174.2-175.6-87.4000112G138 K140 E144 G145 Y147 A150 T173 S174 R177G138-F142 VanDerWaalsContact O-CB 3.27Å; G138-F142 WeakPolarHBondContact O-CB 3.45Å; G138-F142 PolarHBondContact O-N 3.48Å; K140-F142 VanDerWaalsContact C-N 3.28Å; K140-F142 PolarHBondContact O-N 3.11Å; F142-E144 VanDerWaalsContact C-N 3.32Å; F142-G145 PolarHBondContact O-N 3.06Å; F142-G145 VanDerWaalsContact O-N 3.17Å; F142-Y147 AromaticContact CD2-CD1 3.75Å; F142-Y147 HydrophobicContact CD2-CD1 3.75Å; F142-Y147 AromaticContact CD2-CE1 3.92Å; F142-Y147 HydrophobicContact CD2-CE1 3.92Å; F142-Y147 AromaticContact CE2-CD1 3.84Å; F142-Y147 HydrophobicContact CE2-CD1 3.84Å; F142-Y147 AromaticContact CE2-CE1 3.78Å; F142-Y147 HydrophobicContact CE2-CE1 3.78Å; F142-Y147 HydrophobicContact CG-CE1 4.46Å; F142-Y147 HydrophobicContact CZ-CE1 4.2Å; F142-A150 HydrophobicContact CB-CB 4.4Å; F142-T173 HydrophobicContact CE2-CG2 3.92Å; F142-T173 HydrophobicContact CZ-CG2 3.67Å; F142-S174 WeakPolarHBondContact CD2-OG 3.16Å; F142-R177 HydrophobicContact CE2-CG 4.02Å; F142-R177 HydrophobicContact CZ-CG 4.01Å
143K95.9Very high95.4Very high184 Ų18464.1 Ų64.180%0.832%0.316SS*.Hα-helixtrans-67.4-32.6174.8-71.4173-178178.90112.3N139 K140 L141 G145N139-K143 WeakPolarHBondContact O-CG 3.38Å; N139-K143 PolarHBondContact O-N 3Å; N139-K143 VanDerWaalsContact O-N 3.15Å; K140-K143 WeakPolarHBondContact O-CB 3.45Å; K140-K143 PolarHBondContact O-N 3.43Å; K140-K143 VanDerWaalsContact O-N 3.07Å; L141-K143 VanDerWaalsContact C-N 3.34Å; L141-K143 PolarHBondContact O-N 3.26Å; K143-G145 PolarHBondContact O-N 3.21Å
144E95.9Very high95.5Very high124 Ų12461.9 Ų61.958%0.57930%0.297SS*.THydrogen-bonded Turntrans-73.4-8.6173.5-67.9173.3-161.900113.2K140 L141 F142 K146K140-E144 WeakPolarHBondContact O-CG 3.44Å; K140-E144 PolarHBondContact O-N 2.98Å; L141-E144 CarbonylContact O-C 3.59Å; L141-E144 PolarHBondContact O-N 3.23Å; F142-E144 VanDerWaalsContact C-N 3.32Å; E144-K146 VanDerWaalsContact C-N 3.33Å; E144-K146 IonicContact OE2-NZ 3.75Å
145G93.3Very high95.6Very high35 Ų3563.3 Ų63.336%0.36131%0.308SS..THydrogen-bonded Turntrans81.97-179.200000114.6L141 F142 K143 Y147L141-G145 PolarHBondContact O-N 3.08Å; L141-G145 VanDerWaalsContact O-N 3.13Å; F142-G145 PolarHBondContact O-N 3.06Å; F142-G145 VanDerWaalsContact O-N 3.17Å; K143-G145 PolarHBondContact O-N 3.21Å; G145-Y147 VanDerWaalsContact O-CD2 3.32Å; G145-Y147 WeakPolarHBondContact O-CD2 3.36Å; G145-Y147 WeakPolarHBondContact O-CE2 3.45Å; G145-Y147 PolarHBondContact O-N 3.34Å
146K95.8Very high95.6Very high96 Ų9666.4 Ų66.442%0.41732%0.319SS..  trans-87.578.6177.2-65.3179178.8176.50110.6L141 E144 E149 A150L141-K146 HydrophobicContact CD2-CD 4.11Å; L141-K146 PolarHBondContact O-N 2.75Å; E144-K146 VanDerWaalsContact C-N 3.33Å; E144-K146 IonicContact OE2-NZ 3.75Å; K146-E149 HydrophobicContact CB-CB 4.43Å; K146-E149 IonicContact NZ-OE2 2.8Å; K146-A150 WeakPolarHBondContact O-CB 3.5Å; K146-A150 PolarHBondContact O-N 3.19Å; K146-A150 VanDerWaalsContact O-N 3.17Å
147Y95.9Very high95.5Very high65 Ų6562.3 Ų62.326%0.25530%0.3SS..Hα-helixtrans-70.8-36.9-171.5-54.3-62.4000114F142 G145 A150 I151 R177 L178F142-Y147 AromaticContact CD2-CD1 3.75Å; F142-Y147 HydrophobicContact CD2-CD1 3.75Å; F142-Y147 AromaticContact CD2-CE1 3.92Å; F142-Y147 HydrophobicContact CD2-CE1 3.92Å; F142-Y147 AromaticContact CE2-CD1 3.84Å; F142-Y147 HydrophobicContact CE2-CD1 3.84Å; F142-Y147 AromaticContact CE2-CE1 3.78Å; F142-Y147 HydrophobicContact CE2-CE1 3.78Å; F142-Y147 HydrophobicContact CG-CE1 4.46Å; F142-Y147 HydrophobicContact CZ-CE1 4.2Å; G145-Y147 VanDerWaalsContact O-CD2 3.32Å; G145-Y147 WeakPolarHBondContact O-CD2 3.36Å; G145-Y147 WeakPolarHBondContact O-CE2 3.45Å; G145-Y147 PolarHBondContact O-N 3.34Å; Y147-A150 PolarHBondContact O-N 3.12Å; Y147-I151 WeakPolarHBondContact O-CD1 3.32Å; Y147-I151 VanDerWaalsContact O-CG1 3.26Å; Y147-I151 WeakPolarHBondContact O-CG1 3.36Å; Y147-I151 PolarHBondContact O-N 3.46Å; Y147-R177 HydrophobicContact CD1-CB 3.94Å; Y147-R177 HydrophobicContact CD1-CG 4.22Å; Y147-R177 HydrophobicContact CD2-CB 4.07Å; Y147-R177 HydrophobicContact CE1-CB 3.8Å; Y147-R177 HydrophobicContact CE1-CG 3.74Å; Y147-R177 HydrophobicContact CE2-CB 3.93Å; Y147-R177 HydrophobicContact CG-CB 4.08Å; Y147-L178 HydrophobicContact CD2-CD2 4.15Å; Y147-L178 HydrophobicContact CG-CD2 4.5Å
148D94.9Very high95.4Very high96 Ų9660.4 Ų60.451%0.51329%0.289SS..Hα-helixtrans-66.3-44.9179.9-64.3-60.5000111.7A150 I151 E152 L178D148-A150 VanDerWaalsContact C-N 3.31Å; D148-A150 PolarHBondContact O-N 2.98Å; D148-I151 WeakPolarHBondContact O-CB 3.38Å; D148-I151 PolarHBondContact O-N 3.2Å; D148-E152 PolarHBondContact O-N 3.15Å; D148-L178 VanDerWaalsContact OD1-CD1 3.27Å; D148-L178 WeakPolarHBondContact OD1-CD1 3.47Å
149E94.9Very high95.3Very high93 Ų9364.5 Ų64.544%0.43532%0.322SS..Hα-helixtrans-64.1-36.2174.7-64.2176.4-151.600111.9L141 K146 E152 C153L141-E149 HydrophobicContact CD1-CB 4Å; K146-E149 HydrophobicContact CB-CB 4.43Å; K146-E149 IonicContact NZ-OE2 2.8Å; E149-E152 PolarHBondContact O-N 3.44Å; E149-C153 PolarHBondContact O-N 3.12Å; E149-C153 VanDerWaalsContact O-N 3.16Å; E149-C153 PolarHBondContact O-SG 3.13Å
150A96.5Very high95Very high0 Ų063.3 Ų63.30%032%0.318CS..Hα-helixtrans-64.1-39.8175.300000111.9L141 F142 K146 Y147 D148 E152 C153 Y154L141-A150 HydrophobicContact CB-CB 3.99Å; F142-A150 HydrophobicContact CB-CB 4.4Å; K146-A150 WeakPolarHBondContact O-CB 3.5Å; K146-A150 PolarHBondContact O-N 3.19Å; K146-A150 VanDerWaalsContact O-N 3.17Å; Y147-A150 PolarHBondContact O-N 3.12Å; D148-A150 VanDerWaalsContact C-N 3.31Å; D148-A150 PolarHBondContact O-N 2.98Å; A150-E152 VanDerWaalsContact C-N 3.32Å; A150-E152 PolarHBondContact O-N 3.36Å; A150-C153 PolarHBondContact O-N 3.19Å; A150-Y154 HydrophobicContact CB-CD2 4.48Å; A150-Y154 HydrophobicContact CB-CE2 3.97Å; A150-Y154 WeakPolarHBondContact O-CD2 3.37Å; A150-Y154 PolarHBondContact O-N 3.36Å
151I96.5Very high94.7Very high19 Ų1958.4 Ų58.410%0.09730%0.298CS..Hα-helixtrans-60.9-40.9176.8-72.6158.1000111.3Y147 D148 Y154 T155 R171 F175 L178Y147-I151 WeakPolarHBondContact O-CD1 3.32Å; Y147-I151 VanDerWaalsContact O-CG1 3.26Å; Y147-I151 WeakPolarHBondContact O-CG1 3.36Å; Y147-I151 PolarHBondContact O-N 3.46Å; D148-I151 WeakPolarHBondContact O-CB 3.38Å; D148-I151 PolarHBondContact O-N 3.2Å; I151-Y154 PolarHBondContact O-N 3.08Å; I151-T155 WeakPolarHBondContact O-CB 3.39Å; I151-T155 PolarHBondContact O-N 3.15Å; I151-T155 PolarHBondContact O-OG1 3.13Å; I151-R171 HydrophobicContact CB-CG 4.42Å; I151-R171 HydrophobicContact CG1-CG 4.21Å; I151-R171 HydrophobicContact CG2-CG 4.06Å; I151-F175 HydrophobicContact CD1-CD1 3.62Å; I151-F175 HydrophobicContact CD1-CE1 3.51Å; I151-F175 HydrophobicContact CD1-CG 4.18Å; I151-F175 HydrophobicContact CD1-CZ 3.98Å; I151-F175 HydrophobicContact CG1-CD1 4.5Å; I151-F175 HydrophobicContact CG1-CE1 4.27Å; I151-F175 HydrophobicContact CG1-CE2 4.47Å; I151-F175 HydrophobicContact CG1-CZ 4.25Å; I151-F175 HydrophobicContact CG2-CE1 4.17Å; I151-F175 HydrophobicContact CG2-CE2 4.14Å; I151-F175 HydrophobicContact CG2-CZ 3.61Å; I151-L178 HydrophobicContact CD1-CD1 3.57Å
152E95.6Very high94.4Very high119 Ų11960.6 Ų60.656%0.55631%0.313SS*.Hα-helixtrans-63.9-43.4175.7-66.5-176.4-179.100111.8D148 E149 A150 T155 R156D148-E152 PolarHBondContact O-N 3.15Å; E149-E152 PolarHBondContact O-N 3.44Å; A150-E152 VanDerWaalsContact C-N 3.32Å; A150-E152 PolarHBondContact O-N 3.36Å; E152-T155 PolarHBondContact O-N 3.47Å; E152-R156 WeakPolarHBondContact O-CG 3.31Å; E152-R156 PolarHBondContact O-N 3.13Å; E152-R156 IonicContact OE2-NH1 2.75Å
153C95.4Very high94.1Very high6 Ų666.6 Ų66.64%0.04134%0.336CS..Hα-helixtrans-61.3-46.2176-61.20000111.3L141 E149 A150 T155 R156 G157L141-C153 WeakPolarHBondContact CD1-SG 3.48Å; E149-C153 PolarHBondContact O-N 3.12Å; E149-C153 VanDerWaalsContact O-N 3.16Å; E149-C153 PolarHBondContact O-SG 3.13Å; A150-C153 PolarHBondContact O-N 3.19Å; C153-T155 VanDerWaalsContact C-N 3.3Å; C153-T155 PolarHBondContact O-N 3.11Å; C153-R156 PolarHBondContact O-N 3.34Å; C153-R156 PolarHBondContact SG-NH2 2.91Å; C153-G157 PolarHBondContact O-N 2.78Å
154Y96.5Very high93.9Very high3 Ų359.1 Ų59.11%0.01231%0.305CS..Hα-helixtrans-63.4-37175.9-62.7-49.8000112.2G138 N139 A150 I151 G157 M158 L167 N170 R171 S174G138-Y154 PolarHBondContact O-OH 2.91Å; N139-Y154 WeakPolarHBondContact CA-OH 3.49Å; N139-Y154 PolarHBondContact N-OH 3.04Å; N139-Y154 PolarHBondContact OD1-OH 3.49Å; A150-Y154 HydrophobicContact CB-CD2 4.48Å; A150-Y154 HydrophobicContact CB-CE2 3.97Å; A150-Y154 WeakPolarHBondContact O-CD2 3.37Å; A150-Y154 PolarHBondContact O-N 3.36Å; I151-Y154 PolarHBondContact O-N 3.08Å; Y154-G157 PolarHBondContact O-N 3.22Å; Y154-M158 VanDerWaalsContact O-CG 3.28Å; Y154-M158 WeakPolarHBondContact O-CG 3.33Å; Y154-M158 PolarHBondContact O-N 3.16Å; Y154-L167 HydrophobicContact CD1-CD2 4.13Å; Y154-N170 HydrophobicContact CD1-CB 4.06Å; Y154-N170 HydrophobicContact CD2-CB 4.41Å; Y154-N170 HydrophobicContact CE1-CB 3.66Å; Y154-N170 HydrophobicContact CE2-CB 4.05Å; Y154-N170 HydrophobicContact CG-CB 4.43Å; Y154-R171 HydrophobicContact CD2-CB 4.18Å; Y154-R171 HydrophobicContact CG-CB 4.34Å; Y154-S174 WeakPolarHBondContact CE2-OG 3.32Å
155T96.1Very high93.8Very high61 Ų6154.2 Ų54.237%0.37428%0.283SS..Hα-helixtrans-67.2-40177-57.60000111.7I151 E152 C153 G157 M158 A159 R171I151-T155 WeakPolarHBondContact O-CB 3.39Å; I151-T155 PolarHBondContact O-N 3.15Å; I151-T155 PolarHBondContact O-OG1 3.13Å; E152-T155 PolarHBondContact O-N 3.47Å; C153-T155 VanDerWaalsContact C-N 3.3Å; C153-T155 PolarHBondContact O-N 3.11Å; T155-G157 VanDerWaalsContact C-N 3.33Å; T155-M158 PolarHBondContact O-N 2.85Å; T155-A159 PolarHBondContact O-N 3.5Å; T155-A159 VanDerWaalsContact O-N 3.1Å; T155-R171 WeakPolarHBondContact OG1-CD 3.16Å; T155-R171 PolarHBondContact OG1-NH1 3.01Å
156R94.1Very high93.8Very high103 Ų10354.6 Ų54.639%0.38928%0.279SS..Hα-helixtrans-63.3-39.2170.4-71.9-167-62.3-92.4-0.6111.9E134 E152 C153 A159 A160E134-R156 HydrophobicContact CG-CB 4.33Å; E134-R156 IonicContact OE1-NE 3.01Å; E134-R156 PolarHBondContact OE1-NE 3.33Å; E134-R156 IonicContact OE2-CZ 3.22Å; E134-R156 IonicContact OE2-NE 2.65Å; E134-R156 PolarHBondContact OE2-NE 3Å; E134-R156 IonicContact OE2-NH2 4Å; E134-R156 PolarHBondContact OE2-NH2 3.03Å; E152-R156 WeakPolarHBondContact O-CG 3.31Å; E152-R156 PolarHBondContact O-N 3.13Å; E152-R156 IonicContact OE2-NH1 2.75Å; C153-R156 PolarHBondContact O-N 3.34Å; C153-R156 PolarHBondContact SG-NH2 2.91Å; R156-A159 PolarHBondContact O-N 2.99Å; R156-A160 PolarHBondContact O-N 2.93Å
157G93.7Very high93.8Very high0 Ų050 Ų500%026%0.259CS..Hα-helixtrans-61.5-43.617400000112.4C153 Y154 T155 A159 A160 D161 L167C153-G157 PolarHBondContact O-N 2.78Å; Y154-G157 PolarHBondContact O-N 3.22Å; T155-G157 VanDerWaalsContact C-N 3.33Å; G157-A159 VanDerWaalsContact C-N 3.28Å; G157-A159 PolarHBondContact O-N 3.2Å; G157-A160 PolarHBondContact O-N 3.4Å; G157-A160 VanDerWaalsContact O-N 3.1Å; G157-D161 PolarHBondContact O-N 3.06Å; G157-L167 VanDerWaalsContact C-CD1 3.44Å; G157-L167 WeakPolarHBondContact O-CD1 3.01Å
158M93.1Very high93.8Very high31 Ų3147 Ų4715%0.15325%0.247CC..Hα-helixtrans-66.4-30.6178-70.3171.665.400112.5Y154 T155 A160 D161 P162 L167 P168 R171 L190Y154-M158 VanDerWaalsContact O-CG 3.28Å; Y154-M158 WeakPolarHBondContact O-CG 3.33Å; Y154-M158 PolarHBondContact O-N 3.16Å; T155-M158 PolarHBondContact O-N 2.85Å; M158-A160 VanDerWaalsContact C-N 3.32Å; M158-D161 CarbonylContact O-C 3.49Å; M158-P162 WeakPolarHBondContact O-CA 3.36Å; M158-L167 HydrophobicContact CG-CB 3.65Å; M158-L167 HydrophobicContact CG-CD1 4.32Å; M158-P168 HydrophobicContact CE-CB 3.99Å; M158-P168 HydrophobicContact SD-CB 4.18Å; M158-R171 PolarHBondContact SD-NH1 3.32Å; M158-L190 HydrophobicContact CE-CD2 3.53Å
159A91.4Very high93.9Very high85 Ų8542.5 Ų42.570%0.70222%0.223SC*.Hα-helixtrans-72.1-27173.300000112.6T155 R156 G157T155-A159 PolarHBondContact O-N 3.5Å; T155-A159 VanDerWaalsContact O-N 3.1Å; R156-A159 PolarHBondContact O-N 2.99Å; G157-A159 VanDerWaalsContact C-N 3.28Å; G157-A159 PolarHBondContact O-N 3.2Å
160A90.6Very high93.9Very high14 Ų1439.6 Ų39.612%0.11621%0.211CC..Hα-helixtrans-83.6-37.7176.100000112.5V126 D127 R130 A131 R156 G157 M158V126-A160 WeakPolarHBondContact CG1-O 3.39Å; D127-A160 PolarHBondContact N-O 2.97Å; R130-A160 HydrophobicContact CB-CB 4.43Å; R130-A160 HydrophobicContact CG-CB 4.24Å; A131-A160 HydrophobicContact CB-CB 4.04Å; R156-A160 PolarHBondContact O-N 2.93Å; G157-A160 PolarHBondContact O-N 3.4Å; G157-A160 VanDerWaalsContact O-N 3.1Å; M158-A160 VanDerWaalsContact C-N 3.32Å
161D90.4Very high93.9Very high18 Ų1841.4 Ų41.410%0.09622%0.218CC..  trans-132.991.4173.3-175.11.6000111.7V126 A131 G157 M158 Y163 N164V126-D161 HydrophobicContact CG1-CB 3.77Å; V126-D161 WeakPolarHBondContact CG1-OD1 3.07Å; A131-D161 HydrophobicContact CB-CB 3.38Å; G157-D161 PolarHBondContact O-N 3.06Å; M158-D161 CarbonylContact O-C 3.49Å; D161-Y163 PolarHBondContact O-N 3.27Å; D161-Y163 PolarHBondContact OD1-N 2.86Å; D161-Y163 VanDerWaalsContact OD1-N 3.1Å; D161-N164 HydrophobicContact CB-CB 4.42Å; D161-N164 WeakPolarHBondContact OD2-CB 3.48Å
162P90.1Very high93.9Very high73 Ų7340.6 Ų40.647%0.47421%0.214SC..THydrogen-bonded Turntrans-67.1-16.9178.5-23.735.4000114.7M158M158-P162 WeakPolarHBondContact O-CA 3.36Å
163Y90.3Very high93.9Very high173 Ų17335.8 Ų35.868%0.67819%0.192SC*.THydrogen-bonded Turntrans-93.8-7.4-171.5-58.7-75.4000113.4V126 D161 P165V126-Y163 HydrophobicContact CG2-CD2 4.25Å; V126-Y163 HydrophobicContact CG2-CE2 4.11Å; D161-Y163 PolarHBondContact O-N 3.27Å; D161-Y163 PolarHBondContact OD1-N 2.86Å; D161-Y163 VanDerWaalsContact OD1-N 3.1Å; Y163-P165 WeakPolarHBondContact O-CD 3.43Å
164N90.8Very high94Very high28 Ų2835.5 Ų35.515%0.1519%0.19CC..  trans-85.2115.4-175.6-176.1-16.5000112.7D161 V166 L167 P168D161-N164 HydrophobicContact CB-CB 4.42Å; D161-N164 WeakPolarHBondContact OD2-CB 3.48Å; N164-V166 VanDerWaalsContact C-N 3.28Å; N164-V166 PolarHBondContact O-N 3.08Å; N164-V166 VanDerWaalsContact OD1-CB 3.22Å; N164-V166 WeakPolarHBondContact OD1-CB 3.4Å; N164-V166 WeakPolarHBondContact OD1-CG2 3.4Å; N164-V166 PolarHBondContact OD1-N 3.48Å; N164-L167 HydrophobicContact CB-CD1 4.16Å; N164-P168 WeakPolarHBondContact O-CD 3.38Å
165P93.3Very high94Very high20 Ų2036.6 Ų36.613%0.1320%0.195CC..SBendtrans-72.4-15.8-179.130.8-37.7000114.2Y163 P168 T169 A191 L194 D195 Y198Y163-P165 WeakPolarHBondContact O-CD 3.43Å; P165-P168 WeakPolarHBondContact O-CG 3.4Å; P165-T169 PolarHBondContact O-N 2.91Å; P165-T169 PolarHBondContact O-OG1 2.99Å; P165-A191 HydrophobicContact CB-CB 4.5Å; P165-L194 HydrophobicContact CB-CB 4.12Å; P165-D195 HydrophobicContact CB-CB 3.92Å; P165-D195 HydrophobicContact CG-CB 3.74Å; P165-Y198 HydrophobicContact CB-CD1 4.21Å
166V94.4Very high94Very high43 Ų4336.9 Ų36.926%0.26119%0.191SC..Hα-helixtrans-72.6-40.7-177.1-177.70000111.4K135 N164 T169 N170K135-V166 HydrophobicContact CD-CG1 4.46Å; N164-V166 VanDerWaalsContact C-N 3.28Å; N164-V166 PolarHBondContact O-N 3.08Å; N164-V166 VanDerWaalsContact OD1-CB 3.22Å; N164-V166 WeakPolarHBondContact OD1-CB 3.4Å; N164-V166 WeakPolarHBondContact OD1-CG2 3.4Å; N164-V166 PolarHBondContact OD1-N 3.48Å; V166-T169 PolarHBondContact O-N 3.33Å; V166-N170 PolarHBondContact O-N 3.1Å
167L94.8Very high94.1Very high0 Ų039.1 Ų39.10%020%0.2CC..Hα-helixtrans-59.1-53.7-179.5-74.9167.5000113.5A131 K135 Y154 G157 M158 N164 T169 N170 R171A131-L167 HydrophobicContact CB-CD1 4.39Å; K135-L167 HydrophobicContact CB-CD2 3.74Å; K135-L167 HydrophobicContact CG-CD2 4.03Å; Y154-L167 HydrophobicContact CD1-CD2 4.13Å; G157-L167 VanDerWaalsContact C-CD1 3.44Å; G157-L167 WeakPolarHBondContact O-CD1 3.01Å; M158-L167 HydrophobicContact CG-CB 3.65Å; M158-L167 HydrophobicContact CG-CD1 4.32Å; N164-L167 HydrophobicContact CB-CD1 4.16Å; L167-T169 VanDerWaalsContact C-N 3.25Å; L167-T169 PolarHBondContact O-N 2.83Å; L167-N170 PolarHBondContact O-N 3.11Å; L167-R171 PolarHBondContact O-N 3.15Å
168P96.3Very high94.2Very high1 Ų141.4 Ų41.41%0.00621%0.212CC..Hα-helixtrans-62.5-32.9175.922.2-30.9000112.1M158 N164 P165 R171 A172 L190 A191 L194M158-P168 HydrophobicContact CE-CB 3.99Å; M158-P168 HydrophobicContact SD-CB 4.18Å; N164-P168 WeakPolarHBondContact O-CD 3.38Å; P165-P168 WeakPolarHBondContact O-CG 3.4Å; P168-R171 PolarHBondContact O-N 3.32Å; P168-A172 WeakPolarHBondContact O-CB 3.25Å; P168-A172 PolarHBondContact O-N 3.45Å; P168-L190 HydrophobicContact CB-CD2 4.24Å; P168-A191 HydrophobicContact CB-CB 4.41Å; P168-A191 HydrophobicContact CG-CB 3.96Å; P168-L194 HydrophobicContact CG-CD1 4.25Å
169T96.1Very high94.3Very high3 Ų347.3 Ų47.32%0.01824%0.237CC..Hα-helixtrans-67.6-39176.5-56.50000112.9P165 V166 L167 A172 T173 A191 Y198 R204P165-T169 PolarHBondContact O-N 2.91Å; P165-T169 PolarHBondContact O-OG1 2.99Å; V166-T169 PolarHBondContact O-N 3.33Å; L167-T169 VanDerWaalsContact C-N 3.25Å; L167-T169 PolarHBondContact O-N 2.83Å; T169-A172 PolarHBondContact O-N 3.18Å; T169-T173 PolarHBondContact O-N 2.96Å; T169-T173 VanDerWaalsContact O-N 3.08Å; T169-T173 PolarHBondContact O-OG1 3.34Å; T169-A191 VanDerWaalsContact OG1-CB 3.27Å; T169-A191 WeakPolarHBondContact OG1-CB 3.4Å; T169-Y198 HydrophobicContact CG2-CE1 3.98Å; T169-Y198 WeakPolarHBondContact OG1-CE1 3.43Å; T169-R204 HydrophobicContact CG2-CG 3.96Å
170N95.7Very high94.5Very high32 Ų3248.2 Ų48.217%0.17123%0.225CC..Hα-helixtrans-70.1-37.1175.1-73.20.3000111.7N139 Y154 V166 L167 T173 S174N139-N170 PolarHBondContact OD1-ND2 3.49Å; Y154-N170 HydrophobicContact CD1-CB 4.06Å; Y154-N170 HydrophobicContact CD2-CB 4.41Å; Y154-N170 HydrophobicContact CE1-CB 3.66Å; Y154-N170 HydrophobicContact CE2-CB 4.05Å; Y154-N170 HydrophobicContact CG-CB 4.43Å; V166-N170 PolarHBondContact O-N 3.1Å; L167-N170 PolarHBondContact O-N 3.11Å; N170-T173 WeakPolarHBondContact O-CB 3.48Å; N170-T173 PolarHBondContact O-N 3.39Å; N170-S174 PolarHBondContact O-N 3.42Å; N170-S174 VanDerWaalsContact O-N 3.14Å; N170-S174 PolarHBondContact O-OG 2.97Å; N170-S174 VanDerWaalsContact O-OG 3.09Å
171R96.7Very high94.7Very high38 Ų3850.4 Ų50.414%0.14323%0.231CC..Hα-helixtrans-63.6-45172.4-163.6173.771.7-178.6-3.6111.7I151 Y154 T155 M158 L167 P168 T173 S174 F175 D187I151-R171 HydrophobicContact CB-CG 4.42Å; I151-R171 HydrophobicContact CG1-CG 4.21Å; I151-R171 HydrophobicContact CG2-CG 4.06Å; Y154-R171 HydrophobicContact CD2-CB 4.18Å; Y154-R171 HydrophobicContact CG-CB 4.34Å; T155-R171 WeakPolarHBondContact OG1-CD 3.16Å; T155-R171 PolarHBondContact OG1-NH1 3.01Å; M158-R171 PolarHBondContact SD-NH1 3.32Å; L167-R171 PolarHBondContact O-N 3.15Å; P168-R171 PolarHBondContact O-N 3.32Å; R171-T173 VanDerWaalsContact C-N 3.25Å; R171-T173 PolarHBondContact O-N 3.08Å; R171-S174 WeakPolarHBondContact O-CA 3.38Å; R171-S174 WeakPolarHBondContact O-CB 3.38Å; R171-S174 PolarHBondContact O-N 3.31Å; R171-F175 HydrophobicContact CG-CD2 4.08Å; R171-F175 HydrophobicContact CG-CE2 3.7Å; R171-F175 WeakPolarHBondContact O-CD2 3.36Å; R171-F175 PolarHBondContact O-N 3.18Å; R171-D187 IonicContact CZ-OD1 3.63Å; R171-D187 IonicContact CZ-OD2 3.93Å; R171-D187 IonicContact NE-OD1 3.93Å; R171-D187 IonicContact NE-OD2 3.05Å; R171-D187 PolarHBondContact NE-OD2 3.39Å; R171-D187 IonicContact NH2-OD1 3.48Å; R171-D187 PolarHBondContact NH2-OD1 3.21Å; R171-D187 IonicContact NH2-OD2 3.95Å
172A96.6Very high94.9Very high2 Ų252.7 Ų52.72%0.01725%0.252CS..Hα-helixtrans-56.7-39.8173.800000112.1P168 T169 S174 F175 F176 A184 D187 C188P168-A172 WeakPolarHBondContact O-CB 3.25Å; P168-A172 PolarHBondContact O-N 3.45Å; T169-A172 PolarHBondContact O-N 3.18Å; A172-S174 VanDerWaalsContact C-N 3.31Å; A172-S174 PolarHBondContact O-N 3.41Å; A172-F175 PolarHBondContact O-N 3.48Å; A172-F176 WeakPolarHBondContact O-CB 3.07Å; A172-F176 PolarHBondContact O-N 3.03Å; A172-A184 HydrophobicContact CB-CB 4.29Å; A172-A184 WeakPolarHBondContact O-CB 3.36Å; A172-D187 HydrophobicContact CB-CB 3.75Å; A172-C188 VanDerWaalsContact CB-SG 3.53Å
173T95.9Very high95.1Very high17 Ų1752 Ų5210%0.10425%0.246CC..Hα-helixtrans-64.9-36.5176.9-54.90000111.7F142 T169 N170 R171 F176 R177 R204F142-T173 HydrophobicContact CE2-CG2 3.92Å; F142-T173 HydrophobicContact CZ-CG2 3.67Å; T169-T173 PolarHBondContact O-N 2.96Å; T169-T173 VanDerWaalsContact O-N 3.08Å; T169-T173 PolarHBondContact O-OG1 3.34Å; N170-T173 WeakPolarHBondContact O-CB 3.48Å; N170-T173 PolarHBondContact O-N 3.39Å; R171-T173 VanDerWaalsContact C-N 3.25Å; R171-T173 PolarHBondContact O-N 3.08Å; T173-F176 WeakPolarHBondContact O-CB 3.17Å; T173-F176 PolarHBondContact O-N 2.89Å; T173-R177 WeakPolarHBondContact O-CG 3.32Å; T173-R177 PolarHBondContact O-N 2.9Å; T173-R177 VanDerWaalsContact O-N 3.12Å; T173-R204 PolarHBondContact OG1-NE 3.19Å
174S96.5Very high95.5Very high0 Ų043.9 Ų43.90%022%0.215CC..Hα-helixtrans-66.8-44.6174.7-52.40000111.3F142 Y154 N170 R171 A172 F176 R177 L178F142-S174 WeakPolarHBondContact CD2-OG 3.16Å; Y154-S174 WeakPolarHBondContact CE2-OG 3.32Å; N170-S174 PolarHBondContact O-N 3.42Å; N170-S174 VanDerWaalsContact O-N 3.14Å; N170-S174 PolarHBondContact O-OG 2.97Å; N170-S174 VanDerWaalsContact O-OG 3.09Å; R171-S174 WeakPolarHBondContact O-CA 3.38Å; R171-S174 WeakPolarHBondContact O-CB 3.38Å; R171-S174 PolarHBondContact O-N 3.31Å; A172-S174 VanDerWaalsContact C-N 3.31Å; A172-S174 PolarHBondContact O-N 3.41Å; S174-F176 VanDerWaalsContact C-N 3.31Å; S174-F176 PolarHBondContact O-N 3.47Å; S174-R177 PolarHBondContact O-N 3.33Å; S174-L178 PolarHBondContact O-N 3.1Å; S174-L178 VanDerWaalsContact O-N 3.15Å
175F97.3Very high95.7Very high26 Ų2643.6 Ų43.611%0.11421%0.212CC..Hα-helixtrans-62.9-36.1173.5-75.8-54.9000113.3I151 R171 A172 R177 L178 K179 K180 V183 A184 D187I151-F175 HydrophobicContact CD1-CD1 3.62Å; I151-F175 HydrophobicContact CD1-CE1 3.51Å; I151-F175 HydrophobicContact CD1-CG 4.18Å; I151-F175 HydrophobicContact CD1-CZ 3.98Å; I151-F175 HydrophobicContact CG1-CD1 4.5Å; I151-F175 HydrophobicContact CG1-CE1 4.27Å; I151-F175 HydrophobicContact CG1-CE2 4.47Å; I151-F175 HydrophobicContact CG1-CZ 4.25Å; I151-F175 HydrophobicContact CG2-CE1 4.17Å; I151-F175 HydrophobicContact CG2-CE2 4.14Å; I151-F175 HydrophobicContact CG2-CZ 3.61Å; R171-F175 HydrophobicContact CG-CD2 4.08Å; R171-F175 HydrophobicContact CG-CE2 3.7Å; R171-F175 WeakPolarHBondContact O-CD2 3.36Å; R171-F175 PolarHBondContact O-N 3.18Å; A172-F175 PolarHBondContact O-N 3.48Å; F175-R177 VanDerWaalsContact C-N 3.34Å; F175-L178 CarbonylContact O-C 3.46Å; F175-L178 PolarHBondContact O-N 3Å; F175-L178 VanDerWaalsContact O-N 3.16Å; F175-K179 PolarHBondContact O-N 2.99Å; F175-K180 HydrophobicContact CB-CB 4.33Å; F175-K180 HydrophobicContact CD1-CB 4.21Å; F175-K180 HydrophobicContact CD1-CD 3.98Å; F175-K180 HydrophobicContact CE1-CD 4.34Å; F175-K180 PolarHBondContact O-N 2.9Å; F175-V183 HydrophobicContact CD1-CG1 4.31Å; F175-V183 HydrophobicContact CD2-CB 4.43Å; F175-V183 HydrophobicContact CD2-CG1 3.74Å; F175-V183 HydrophobicContact CE1-CG1 4.2Å; F175-V183 HydrophobicContact CE2-CG1 3.6Å; F175-V183 HydrophobicContact CG-CB 4.38Å; F175-V183 HydrophobicContact CG-CG1 4.1Å; F175-V183 HydrophobicContact CZ-CG1 3.85Å; F175-A184 HydrophobicContact CB-CB 4.06Å; F175-D187 WeakPolarHBondContact CD2-OD2 3.44Å; F175-D187 WeakPolarHBondContact CE2-OD2 3.41Å
176F96.6Very high95.8Very high67 Ų6745.6 Ų45.629%0.29423%0.227SC..Hα-helixtrans-62-42.1175-171.6-87.4000111.4A172 T173 S174 L178 K179 Y181 A207 A208 A211A172-F176 WeakPolarHBondContact O-CB 3.07Å; A172-F176 PolarHBondContact O-N 3.03Å; T173-F176 WeakPolarHBondContact O-CB 3.17Å; T173-F176 PolarHBondContact O-N 2.89Å; S174-F176 VanDerWaalsContact C-N 3.31Å; S174-F176 PolarHBondContact O-N 3.47Å; F176-L178 VanDerWaalsContact C-N 3.27Å; F176-L178 PolarHBondContact O-N 2.78Å; F176-K179 PolarHBondContact O-N 2.84Å; F176-Y181 AromaticContact CD2-CD1 3.68Å; F176-Y181 HydrophobicContact CD2-CD1 3.68Å; F176-Y181 AromaticContact CD2-CE1 3.9Å; F176-Y181 HydrophobicContact CD2-CE1 3.9Å; F176-Y181 AromaticContact CE2-CD1 3.8Å; F176-Y181 HydrophobicContact CE2-CD1 3.8Å; F176-Y181 AromaticContact CE2-CE1 3.8Å; F176-Y181 HydrophobicContact CE2-CE1 3.8Å; F176-Y181 HydrophobicContact CG-CD1 4.39Å; F176-Y181 HydrophobicContact CG-CE1 4.33Å; F176-Y181 HydrophobicContact CZ-CE1 4.16Å; F176-A207 HydrophobicContact CE2-CB 4.1Å; F176-A207 HydrophobicContact CZ-CB 4.34Å; F176-A208 HydrophobicContact CD2-CB 4.34Å; F176-A211 HydrophobicContact CE2-CB 4.3Å
177R96.2Very high95.9Very high150 Ų15044 Ų4457%0.56622%0.217SC*.Hα-helixtrans-63.4-33174-66.9-64.3-175.5-173.20.4112.7F142 Y147 T173 S174 F175 K179F142-R177 HydrophobicContact CE2-CG 4.02Å; F142-R177 HydrophobicContact CZ-CG 4.01Å; Y147-R177 HydrophobicContact CD1-CB 3.94Å; Y147-R177 HydrophobicContact CD1-CG 4.22Å; Y147-R177 HydrophobicContact CD2-CB 4.07Å; Y147-R177 HydrophobicContact CE1-CB 3.8Å; Y147-R177 HydrophobicContact CE1-CG 3.74Å; Y147-R177 HydrophobicContact CE2-CB 3.93Å; Y147-R177 HydrophobicContact CG-CB 4.08Å; T173-R177 WeakPolarHBondContact O-CG 3.32Å; T173-R177 PolarHBondContact O-N 2.9Å; T173-R177 VanDerWaalsContact O-N 3.12Å; S174-R177 PolarHBondContact O-N 3.33Å; F175-R177 VanDerWaalsContact C-N 3.34Å; R177-K179 PolarHBondContact O-N 3.21Å
178L95.3Very high96Very high49 Ų4944 Ų4426%0.25722%0.217SC..THydrogen-bonded Turntrans-79.95.1173.5-65.5174.9000114.1Y147 D148 I151 S174 F175 F176 K180Y147-L178 HydrophobicContact CD2-CD2 4.15Å; Y147-L178 HydrophobicContact CG-CD2 4.5Å; D148-L178 VanDerWaalsContact OD1-CD1 3.27Å; D148-L178 WeakPolarHBondContact OD1-CD1 3.47Å; I151-L178 HydrophobicContact CD1-CD1 3.57Å; S174-L178 PolarHBondContact O-N 3.1Å; S174-L178 VanDerWaalsContact O-N 3.15Å; F175-L178 CarbonylContact O-C 3.46Å; F175-L178 PolarHBondContact O-N 3Å; F175-L178 VanDerWaalsContact O-N 3.16Å; F176-L178 VanDerWaalsContact C-N 3.27Å; F176-L178 PolarHBondContact O-N 2.78Å; L178-K180 HydrophobicContact CB-CD 4.47Å; L178-K180 HydrophobicContact CB-CG 4.39Å; L178-K180 PolarHBondContact O-N 3.46Å
179K94.8Very high96Very high155 Ų15546.9 Ų46.967%0.67423%0.232SC*.THydrogen-bonded Turntrans6018.3-176.1-52.6-177.5178.1178.90114.8F175 F176 R177 Y181F175-K179 PolarHBondContact O-N 2.99Å; F176-K179 PolarHBondContact O-N 2.84Å; R177-K179 PolarHBondContact O-N 3.21Å; K179-Y181 VanDerWaalsContact C-N 3.3Å; K179-Y181 HydrophobicContact CB-CE1 4.47Å; K179-Y181 HydrophobicContact CB-CE2 4.09Å; K179-Y181 WeakPolarHBondContact O-CD2 3.16Å; K179-Y181 PolarHBondContact O-N 2.88Å; K179-Y181 VanDerWaalsContact O-N 3.15Å
180K95.2Very high96Very high103 Ų10350.2 Ų50.245%0.44825%0.249SC..  trans-88.266175.7-67.1178.3-179171.20110F175 L178 A182 V183 A184F175-K180 HydrophobicContact CB-CB 4.33Å; F175-K180 HydrophobicContact CD1-CB 4.21Å; F175-K180 HydrophobicContact CD1-CD 3.98Å; F175-K180 HydrophobicContact CE1-CD 4.34Å; F175-K180 PolarHBondContact O-N 2.9Å; L178-K180 HydrophobicContact CB-CD 4.47Å; L178-K180 HydrophobicContact CB-CG 4.39Å; L178-K180 PolarHBondContact O-N 3.46Å; K180-A182 PolarHBondContact O-N 3.35Å; K180-V183 PolarHBondContact O-N 3.25Å; K180-A184 PolarHBondContact O-N 3.25Å
181Y95.8Very high96Very high61 Ų6148.7 Ų48.724%0.23924%0.241CC..Hα-helixtrans-66.2-32.6-168.9-51.5-59.9000114.3F176 K179 A184 E185 A211F176-Y181 AromaticContact CD2-CD1 3.68Å; F176-Y181 HydrophobicContact CD2-CD1 3.68Å; F176-Y181 AromaticContact CD2-CE1 3.9Å; F176-Y181 HydrophobicContact CD2-CE1 3.9Å; F176-Y181 AromaticContact CE2-CD1 3.8Å; F176-Y181 HydrophobicContact CE2-CD1 3.8Å; F176-Y181 AromaticContact CE2-CE1 3.8Å; F176-Y181 HydrophobicContact CE2-CE1 3.8Å; F176-Y181 HydrophobicContact CG-CD1 4.39Å; F176-Y181 HydrophobicContact CG-CE1 4.33Å; F176-Y181 HydrophobicContact CZ-CE1 4.16Å; K179-Y181 VanDerWaalsContact C-N 3.3Å; K179-Y181 HydrophobicContact CB-CE1 4.47Å; K179-Y181 HydrophobicContact CB-CE2 4.09Å; K179-Y181 WeakPolarHBondContact O-CD2 3.16Å; K179-Y181 PolarHBondContact O-N 2.88Å; K179-Y181 VanDerWaalsContact O-N 3.15Å; Y181-A184 PolarHBondContact O-N 3.23Å; Y181-E185 PolarHBondContact O-N 2.91Å; Y181-A211 HydrophobicContact CD1-CB 3.65Å; Y181-A211 HydrophobicContact CD2-CB 3.81Å; Y181-A211 HydrophobicContact CE1-CB 3.67Å; Y181-A211 HydrophobicContact CE2-CB 3.82Å; Y181-A211 HydrophobicContact CG-CB 3.72Å
182A94.7Very high96Very high65 Ų6547.7 Ų47.754%0.53724%0.24SC..Hα-helixtrans-65.9-41.2178.200000112.6K180 A184 E185 S186K180-A182 PolarHBondContact O-N 3.35Å; A182-A184 VanDerWaalsContact C-N 3.35Å; A182-E185 WeakPolarHBondContact O-CB 3.27Å; A182-E185 PolarHBondContact O-N 2.99Å; A182-S186 PolarHBondContact O-N 3.31Å
183V94.9Very high95.9Very high60 Ų6051.7 Ų51.736%0.36427%0.273SS..Hα-helixtrans-70.3-35.6176.5-174.70000110.7F175 K180 E185 S186 D187F175-V183 HydrophobicContact CD1-CG1 4.31Å; F175-V183 HydrophobicContact CD2-CB 4.43Å; F175-V183 HydrophobicContact CD2-CG1 3.74Å; F175-V183 HydrophobicContact CE1-CG1 4.2Å; F175-V183 HydrophobicContact CE2-CG1 3.6Å; F175-V183 HydrophobicContact CG-CB 4.38Å; F175-V183 HydrophobicContact CG-CG1 4.1Å; F175-V183 HydrophobicContact CZ-CG1 3.85Å; K180-V183 PolarHBondContact O-N 3.25Å; V183-E185 VanDerWaalsContact C-N 3.34Å; V183-E185 PolarHBondContact O-N 3.3Å; V183-S186 WeakPolarHBondContact CA-OG 3.49Å; V183-S186 PolarHBondContact O-N 3.39Å; V183-S186 PolarHBondContact O-OG 3Å; V183-D187 PolarHBondContact O-N 3.03Å
184A96.8Very high95.8Very high2 Ų254 Ų542%0.01728%0.284CS..Hα-helixtrans-63.2-39.1172.800000112.1A172 F175 K180 Y181 A182 D187 C188 A208A172-A184 HydrophobicContact CB-CB 4.29Å; A172-A184 WeakPolarHBondContact O-CB 3.36Å; F175-A184 HydrophobicContact CB-CB 4.06Å; K180-A184 PolarHBondContact O-N 3.25Å; Y181-A184 PolarHBondContact O-N 3.23Å; A182-A184 VanDerWaalsContact C-N 3.35Å; A184-D187 PolarHBondContact O-N 3.38Å; A184-C188 PolarHBondContact O-N 3.14Å; A184-C188 PolarHBondContact O-SG 3.44Å; A184-A208 HydrophobicContact CB-CB 4.28Å
185E96.4Very high95.6Very high22 Ų2256.3 Ų56.310%0.10330%0.296CS..Hα-helixtrans-60.8-45.2174.7-177178.4-169.700111.4Y181 A182 V183 C188 N189 R205 R209 K214Y181-E185 PolarHBondContact O-N 2.91Å; A182-E185 WeakPolarHBondContact O-CB 3.27Å; A182-E185 PolarHBondContact O-N 2.99Å; V183-E185 VanDerWaalsContact C-N 3.34Å; V183-E185 PolarHBondContact O-N 3.3Å; E185-C188 PolarHBondContact O-N 3.36Å; E185-N189 PolarHBondContact O-N 3.17Å; E185-N189 PolarHBondContact O-ND2 3.09Å; E185-R205 HydrophobicContact CG-CG 4.3Å; E185-R209 HydrophobicContact CG-CG 4.42Å; E185-R209 IonicContact OE1-CZ 3.46Å; E185-R209 IonicContact OE1-NE 2.73Å; E185-R209 PolarHBondContact OE1-NE 2.97Å; E185-R209 IonicContact OE1-NH2 3.57Å; E185-R209 PolarHBondContact OE1-NH2 3.17Å; E185-K214 IonicContact OE1-NZ 3.52Å; E185-K214 IonicContact OE2-NZ 3.18Å; E185-K214 PolarHBondContact OE2-NZ 3.11Å
186S95.8Very high95.4Very high61 Ų6160 Ų6043%0.42732%0.317SS..Hα-helixtrans-64.5-40.4178560000113.1A182 V183 C188 N189 L190A182-S186 PolarHBondContact O-N 3.31Å; V183-S186 WeakPolarHBondContact CA-OG 3.49Å; V183-S186 PolarHBondContact O-N 3.39Å; V183-S186 PolarHBondContact O-OG 3Å; S186-C188 VanDerWaalsContact C-N 3.33Å; S186-C188 PolarHBondContact O-N 3.02Å; S186-N189 WeakPolarHBondContact O-CB 3.47Å; S186-N189 PolarHBondContact O-N 2.88Å; S186-L190 PolarHBondContact O-N 3.36Å
187D95.8Very high95.2Very high10 Ų1060.6 Ų60.65%0.05333%0.329CS..Hα-helixtrans-66.4-36.4177-84-3.5000111.8R171 A172 F175 V183 A184 L190 A191R171-D187 IonicContact CZ-OD1 3.63Å; R171-D187 IonicContact CZ-OD2 3.93Å; R171-D187 IonicContact NE-OD1 3.93Å; R171-D187 IonicContact NE-OD2 3.05Å; R171-D187 PolarHBondContact NE-OD2 3.39Å; R171-D187 IonicContact NH2-OD1 3.48Å; R171-D187 PolarHBondContact NH2-OD1 3.21Å; R171-D187 IonicContact NH2-OD2 3.95Å; A172-D187 HydrophobicContact CB-CB 3.75Å; F175-D187 WeakPolarHBondContact CD2-OD2 3.44Å; F175-D187 WeakPolarHBondContact CE2-OD2 3.41Å; V183-D187 PolarHBondContact O-N 3.03Å; A184-D187 PolarHBondContact O-N 3.38Å; D187-L190 PolarHBondContact O-N 3.45Å; D187-A191 PolarHBondContact O-N 3.13Å
188C96.6Very high95.1Very high0 Ų055.1 Ų55.10%031%0.309CS..Hα-helixtrans-69-35.1173.8-62.20000112A172 A184 E185 S186 L190 A191 V192 R205A172-C188 VanDerWaalsContact CB-SG 3.53Å; A184-C188 PolarHBondContact O-N 3.14Å; A184-C188 PolarHBondContact O-SG 3.44Å; E185-C188 PolarHBondContact O-N 3.36Å; S186-C188 VanDerWaalsContact C-N 3.33Å; S186-C188 PolarHBondContact O-N 3.02Å; C188-L190 VanDerWaalsContact C-N 3.32Å; C188-A191 PolarHBondContact O-N 2.97Å; C188-V192 WeakPolarHBondContact O-CG2 3.42Å; C188-V192 PolarHBondContact O-N 3.37Å; C188-R205 HydrophobicContact CB-CB 3.64Å; C188-R205 HydrophobicContact CB-CG 4.04Å
189N96.9Very high95Very high62 Ų6256.5 Ų56.533%0.33231%0.311SS..Hα-helixtrans-62.4-40.9173.1-72.2-23.8000111.7E185 S186 V192 A193 R205E185-N189 PolarHBondContact O-N 3.17Å; E185-N189 PolarHBondContact O-ND2 3.09Å; S186-N189 WeakPolarHBondContact O-CB 3.47Å; S186-N189 PolarHBondContact O-N 2.88Å; N189-V192 PolarHBondContact O-N 3.47Å; N189-A193 WeakPolarHBondContact O-CB 3.3Å; N189-A193 PolarHBondContact O-N 3.17Å; N189-R205 WeakPolarHBondContact OD1-CD 3.42Å; N189-R205 PolarHBondContact OD1-NH1 3.23Å
190L95.9Very high94.9Very high72 Ų7253.9 Ų53.938%0.37730%0.3SS..Hα-helixtrans-60.9-45.5173.5179.161.7000111.2M158 P168 S186 D187 C188 V192 A193 L194M158-L190 HydrophobicContact CE-CD2 3.53Å; P168-L190 HydrophobicContact CB-CD2 4.24Å; S186-L190 PolarHBondContact O-N 3.36Å; D187-L190 PolarHBondContact O-N 3.45Å; C188-L190 VanDerWaalsContact C-N 3.32Å; L190-V192 VanDerWaalsContact C-N 3.34Å; L190-V192 PolarHBondContact O-N 3.28Å; L190-A193 PolarHBondContact O-N 3.48Å; L190-L194 HydrophobicContact CG-CD1 4.48Å; L190-L194 WeakPolarHBondContact O-CG 3.45Å; L190-L194 PolarHBondContact O-N 3.23Å
191A95.8Very high95Very high0 Ų049 Ų490%028%0.279CS..Hα-helixtrans-60.6-41.1177.900000112.9P165 P168 T169 D187 C188 L194 D195 A201P165-A191 HydrophobicContact CB-CB 4.5Å; P168-A191 HydrophobicContact CB-CB 4.41Å; P168-A191 HydrophobicContact CG-CB 3.96Å; T169-A191 VanDerWaalsContact OG1-CB 3.27Å; T169-A191 WeakPolarHBondContact OG1-CB 3.4Å; D187-A191 PolarHBondContact O-N 3.13Å; C188-A191 PolarHBondContact O-N 2.97Å; A191-L194 PolarHBondContact O-N 3.13Å; A191-D195 PolarHBondContact O-N 2.67Å; A191-A201 HydrophobicContact CB-CB 3.76Å
192V95.6Very high95Very high18 Ų1846.4 Ų46.411%0.10927%0.269CS..Hα-helixtrans-66.7-36.4175.7170.90000111.8C188 N189 L190 L194 D195 N196 A201 Y202C188-V192 WeakPolarHBondContact O-CG2 3.42Å; C188-V192 PolarHBondContact O-N 3.37Å; N189-V192 PolarHBondContact O-N 3.47Å; L190-V192 VanDerWaalsContact C-N 3.34Å; L190-V192 PolarHBondContact O-N 3.28Å; V192-L194 VanDerWaalsContact C-N 3.29Å; V192-L194 PolarHBondContact O-N 2.87Å; V192-D195 CarbonylContact O-C 3.45Å; V192-D195 VanDerWaalsContact O-C 3.29Å; V192-N196 PolarHBondContact O-N 3.16Å; V192-A201 HydrophobicContact CG2-CB 3.83Å; V192-Y202 HydrophobicContact CG1-CE1 4.05Å; V192-Y202 HydrophobicContact CG1-CE2 4.27Å; V192-Y202 VanDerWaalsContact CG1-OH 3.31Å; V192-Y202 WeakPolarHBondContact CG1-OH 3.39Å; V192-Y202 HydrophobicContact CG2-CD1 4.31Å; V192-Y202 HydrophobicContact CG2-CD2 4.21Å; V192-Y202 HydrophobicContact CG2-CE1 4.09Å; V192-Y202 HydrophobicContact CG2-CE2 3.97Å; V192-Y202 HydrophobicContact CG2-CG 4.38Å
193A95.4Very high95Very high86 Ų8644.5 Ų44.571%0.71125%0.253SS*.Hα-helixtrans-67.1-31176.100000112.6N189 L190N189-A193 WeakPolarHBondContact O-CB 3.3Å; N189-A193 PolarHBondContact O-N 3.17Å; L190-A193 PolarHBondContact O-N 3.48Å
194L93.1Very high95.1Very high64 Ų6447.7 Ų47.734%0.33526%0.258SS..Hα-helixtrans-76.3-46.2174.3-66.7174.4000111.8P165 P168 L190 A191 V192P165-L194 HydrophobicContact CB-CB 4.12Å; P168-L194 HydrophobicContact CG-CD1 4.25Å; L190-L194 HydrophobicContact CG-CD1 4.48Å; L190-L194 WeakPolarHBondContact O-CG 3.45Å; L190-L194 PolarHBondContact O-N 3.23Å; A191-L194 PolarHBondContact O-N 3.13Å; V192-L194 VanDerWaalsContact C-N 3.29Å; V192-L194 PolarHBondContact O-N 2.87Å
195D92.3Very high95.1Very high50 Ų5049 Ų4927%0.26726%0.262SS..  trans-141.5107.8178.3-176.52.8000111.7P165 A191 V192 S197 Y198P165-D195 HydrophobicContact CB-CB 3.92Å; P165-D195 HydrophobicContact CG-CB 3.74Å; A191-D195 PolarHBondContact O-N 2.67Å; V192-D195 CarbonylContact O-C 3.45Å; V192-D195 VanDerWaalsContact O-C 3.29Å; D195-S197 VanDerWaalsContact C-N 3.26Å; D195-S197 PolarHBondContact O-N 3.45Å; D195-S197 WeakPolarHBondContact OD1-CA 3.41Å; D195-S197 WeakPolarHBondContact OD1-CB 3.08Å; D195-S197 PolarHBondContact OD1-N 3.26Å; D195-S197 PolarHBondContact OD1-OG 3.15Å; D195-S197 PolarHBondContact OD2-OG 2.86Å; D195-Y198 PolarHBondContact O-N 2.63Å
196N92.5Very high95Very high104 Ų10447.9 Ų47.956%0.55626%0.258SS*.THydrogen-bonded Turntrans-74.4-15178.4-16879.4000112.9V192 Y202V192-N196 PolarHBondContact O-N 3.16Å; N196-Y202 WeakPolarHBondContact O-CE2 3.42Å; N196-Y202 PolarHBondContact O-OH 3.36Å; N196-Y202 PolarHBondContact OD1-OH 3.28Å
197S93Very high95Very high78 Ų7846 Ų4655%0.54525%0.245SC..THydrogen-bonded Turntrans-86.8-9.7175.975.30000112.9D195 Y199D195-S197 VanDerWaalsContact C-N 3.26Å; D195-S197 PolarHBondContact O-N 3.45Å; D195-S197 WeakPolarHBondContact OD1-CA 3.41Å; D195-S197 WeakPolarHBondContact OD1-CB 3.08Å; D195-S197 PolarHBondContact OD1-N 3.26Å; D195-S197 PolarHBondContact OD1-OG 3.15Å; D195-S197 PolarHBondContact OD2-OG 2.86Å; S197-Y199 PolarHBondContact O-N 3.44Å
198Y93.9Very high95.1Very high36 Ų3645.5 Ų45.514%0.14124%0.243CC..  trans-79.183.5-175.3-168.5-127.5000112.5P165 T169 D195 K200 A201P165-Y198 HydrophobicContact CB-CD1 4.21Å; T169-Y198 HydrophobicContact CG2-CE1 3.98Å; T169-Y198 WeakPolarHBondContact OG1-CE1 3.43Å; D195-Y198 PolarHBondContact O-N 2.63Å; Y198-K200 HydrophobicContact CD1-CB 4.44Å; Y198-K200 HydrophobicContact CE1-CB 3.9Å; Y198-K200 HydrophobicContact CE2-CB 3.97Å; Y198-K200 HydrophobicContact CE2-CD 3.96Å; Y198-K200 HydrophobicContact CE2-CG 4.25Å; Y198-K200 PolarHBondContact O-N 3.2Å; Y198-A201 HydrophobicContact CD1-CB 3.77Å; Y198-A201 HydrophobicContact CE1-CB 4.41Å; Y198-A201 WeakPolarHBondContact O-CB 3.46Å; Y198-A201 PolarHBondContact O-N 3.34Å
199Y93.6Very high95Very high78 Ų7846.9 Ų46.931%0.30625%0.248SC..Hα-helixtrans-54.6-29-17777.4-86.5000114.4S197 A201 Y202 A203 V225 D229S197-Y199 PolarHBondContact O-N 3.44Å; Y199-A201 VanDerWaalsContact C-N 3.28Å; Y199-A201 PolarHBondContact O-N 3.3Å; Y199-Y202 PolarHBondContact O-N 3.41Å; Y199-A203 PolarHBondContact O-N 2.91Å; Y199-V225 HydrophobicContact CD2-CG1 4.16Å; Y199-D229 HydrophobicContact CD2-CB 4.43Å; Y199-D229 HydrophobicContact CG-CB 4.45Å
200K94.1Very high94.9Very high99 Ų9947.2 Ų47.243%0.4325%0.247SC..Hα-helixtrans-63.2-32.9177.7-69.5179.9-178.71720112.2Y198 A203 R204Y198-K200 HydrophobicContact CD1-CB 4.44Å; Y198-K200 HydrophobicContact CE1-CB 3.9Å; Y198-K200 HydrophobicContact CE2-CB 3.97Å; Y198-K200 HydrophobicContact CE2-CD 3.96Å; Y198-K200 HydrophobicContact CE2-CG 4.25Å; Y198-K200 PolarHBondContact O-N 3.2Å; K200-A203 PolarHBondContact O-N 3.23Å; K200-R204 VanDerWaalsContact O-CG 3.24Å; K200-R204 WeakPolarHBondContact O-CG 3.48Å; K200-R204 PolarHBondContact O-N 3.19Å
201A95.5Very high94.9Very high0 Ų045.5 Ų45.50%024%0.243CC..Hα-helixtrans-66.1-42.9175.300000111.4A191 V192 Y198 Y199 R204 R205A191-A201 HydrophobicContact CB-CB 3.76Å; V192-A201 HydrophobicContact CG2-CB 3.83Å; Y198-A201 HydrophobicContact CD1-CB 3.77Å; Y198-A201 HydrophobicContact CE1-CB 4.41Å; Y198-A201 WeakPolarHBondContact O-CB 3.46Å; Y198-A201 PolarHBondContact O-N 3.34Å; Y199-A201 VanDerWaalsContact C-N 3.28Å; Y199-A201 PolarHBondContact O-N 3.3Å; A201-R204 PolarHBondContact O-N 3.12Å; A201-R205 WeakPolarHBondContact O-CB 3.35Å; A201-R205 PolarHBondContact O-N 3.02Å
202Y96.4Very high94.7Very high8 Ų848.3 Ų48.33%0.03126%0.258CS..Hα-helixtrans-62.5-43.9174.5-66.8-87.2000112.1V192 N196 Y199 R204 R205 G206 M224 L228V192-Y202 HydrophobicContact CG1-CE1 4.05Å; V192-Y202 HydrophobicContact CG1-CE2 4.27Å; V192-Y202 VanDerWaalsContact CG1-OH 3.31Å; V192-Y202 WeakPolarHBondContact CG1-OH 3.39Å; V192-Y202 HydrophobicContact CG2-CD1 4.31Å; V192-Y202 HydrophobicContact CG2-CD2 4.21Å; V192-Y202 HydrophobicContact CG2-CE1 4.09Å; V192-Y202 HydrophobicContact CG2-CE2 3.97Å; V192-Y202 HydrophobicContact CG2-CG 4.38Å; N196-Y202 WeakPolarHBondContact O-CE2 3.42Å; N196-Y202 PolarHBondContact O-OH 3.36Å; N196-Y202 PolarHBondContact OD1-OH 3.28Å; Y199-Y202 PolarHBondContact O-N 3.41Å; Y202-R204 VanDerWaalsContact C-N 3.34Å; Y202-R204 PolarHBondContact O-N 2.94Å; Y202-R205 PolarHBondContact O-N 3.32Å; Y202-G206 PolarHBondContact O-N 3.29Å; Y202-M224 HydrophobicContact CD1-CB 3.94Å; Y202-M224 HydrophobicContact CD1-CG 4.46Å; Y202-M224 HydrophobicContact CE1-CB 4.19Å; Y202-M224 HydrophobicContact CE1-CG 4.36Å; Y202-M224 HydrophobicContact CG-CB 4.35Å; Y202-L228 HydrophobicContact CD2-CD1 4.05Å; Y202-L228 HydrophobicContact CE2-CD1 3.95Å
203A95.6Very high94.5Very high24 Ų2455 Ų5520%0.19829%0.288CS..Hα-helixtrans-61-42.1177.200000112.2Y199 K200 A207 V225Y199-A203 PolarHBondContact O-N 2.91Å; K200-A203 PolarHBondContact O-N 3.23Å; A203-A207 PolarHBondContact O-N 3.46Å; A203-V225 HydrophobicContact CB-CG2 3.96Å
204R95.7Very high94.4Very high127 Ų12755 Ų5548%0.47927%0.272SS..Hα-helixtrans-69.3-37.8176.7-66.5-63.9-175.3-146.3-5.1112.3T169 T173 K200 A201 Y202 A207 A208T169-R204 HydrophobicContact CG2-CG 3.96Å; T173-R204 PolarHBondContact OG1-NE 3.19Å; K200-R204 VanDerWaalsContact O-CG 3.24Å; K200-R204 WeakPolarHBondContact O-CG 3.48Å; K200-R204 PolarHBondContact O-N 3.19Å; A201-R204 PolarHBondContact O-N 3.12Å; Y202-R204 VanDerWaalsContact C-N 3.34Å; Y202-R204 PolarHBondContact O-N 2.94Å; R204-A207 PolarHBondContact O-N 2.86Å; R204-A208 PolarHBondContact O-N 3.03Å
205R96.8Very high94.4Very high29 Ų2953.8 Ų53.811%0.10926%0.264CS..Hα-helixtrans-64.7-45.3174.5-165.3170.464.7-169.3-3111.8E185 C188 N189 A201 Y202 A207 A208 R209 D221E185-R205 HydrophobicContact CG-CG 4.3Å; C188-R205 HydrophobicContact CB-CB 3.64Å; C188-R205 HydrophobicContact CB-CG 4.04Å; N189-R205 WeakPolarHBondContact OD1-CD 3.42Å; N189-R205 PolarHBondContact OD1-NH1 3.23Å; A201-R205 WeakPolarHBondContact O-CB 3.35Å; A201-R205 PolarHBondContact O-N 3.02Å; Y202-R205 PolarHBondContact O-N 3.32Å; R205-A207 VanDerWaalsContact C-N 3.33Å; R205-A207 PolarHBondContact O-N 3.11Å; R205-A208 PolarHBondContact O-N 3.18Å; R205-A208 VanDerWaalsContact O-N 3.17Å; R205-R209 WeakPolarHBondContact O-CB 3.44Å; R205-R209 WeakPolarHBondContact O-CG 3.48Å; R205-R209 PolarHBondContact O-N 3.07Å; R205-D221 WeakPolarHBondContact CG-OD2 3.41Å; R205-D221 IonicContact CZ-OD1 3.5Å; R205-D221 VanDerWaalsContact CZ-OD1 3.22Å; R205-D221 IonicContact CZ-OD2 3.86Å; R205-D221 IonicContact NE-OD1 3.55Å; R205-D221 PolarHBondContact NE-OD1 3.43Å; R205-D221 IonicContact NE-OD2 2.75Å; R205-D221 PolarHBondContact NE-OD2 3.48Å; R205-D221 IonicContact NH2-OD1 3.53Å; R205-D221 PolarHBondContact NH2-OD1 3.2Å
206G95.4Very high94.3Very high0 Ų056.4 Ų56.40%028%0.275CS..Hα-helixtrans-58.4-43.3175.400000111.9Y202 R209 F210Y202-G206 PolarHBondContact O-N 3.29Å; G206-R209 PolarHBondContact O-N 2.83Å; G206-F210 VanDerWaalsContact O-CB 3.32Å; G206-F210 WeakPolarHBondContact O-CB 3.41Å; G206-F210 PolarHBondContact O-N 3.33Å
207A95.7Very high94.3Very high21 Ų2154.6 Ų54.617%0.17427%0.265CS..Hα-helixtrans-63.4-42.9174.300000112.8F176 A203 R204 R205 F210 A211 Y222F176-A207 HydrophobicContact CE2-CB 4.1Å; F176-A207 HydrophobicContact CZ-CB 4.34Å; A203-A207 PolarHBondContact O-N 3.46Å; R204-A207 PolarHBondContact O-N 2.86Å; R205-A207 VanDerWaalsContact C-N 3.33Å; R205-A207 PolarHBondContact O-N 3.11Å; A207-F210 PolarHBondContact O-N 3.41Å; A207-A211 PolarHBondContact O-N 2.74Å; A207-A211 VanDerWaalsContact O-N 3.1Å; A207-Y222 WeakPolarHBondContact CA-OH 3.46Å; A207-Y222 PolarHBondContact N-OH 3.29Å
208A96.6Very high94.4Very high0 Ų050.9 Ų50.90%024%0.239CC..Hα-helixtrans-63.8-43176.500000112F176 A184 R204 R205 A211 L212F176-A208 HydrophobicContact CD2-CB 4.34Å; A184-A208 HydrophobicContact CB-CB 4.28Å; R204-A208 PolarHBondContact O-N 3.03Å; R205-A208 PolarHBondContact O-N 3.18Å; R205-A208 VanDerWaalsContact O-N 3.17Å; A208-A211 PolarHBondContact O-N 3.11Å; A208-L212 WeakPolarHBondContact O-CG 3.44Å; A208-L212 PolarHBondContact O-N 3.18Å; A208-L212 VanDerWaalsContact O-N 3.08Å
209R96Very high94.5Very high28 Ų2849.9 Ų49.911%0.10624%0.236CC..Hα-helixtrans-66.7-37.4176.7-76.5172.5171.3-179.8-7.5112.7E185 R205 G206 A211 L212 Q213 K214 A218 D221E185-R209 HydrophobicContact CG-CG 4.42Å; E185-R209 IonicContact OE1-CZ 3.46Å; E185-R209 IonicContact OE1-NE 2.73Å; E185-R209 PolarHBondContact OE1-NE 2.97Å; E185-R209 IonicContact OE1-NH2 3.57Å; E185-R209 PolarHBondContact OE1-NH2 3.17Å; R205-R209 WeakPolarHBondContact O-CB 3.44Å; R205-R209 WeakPolarHBondContact O-CG 3.48Å; R205-R209 PolarHBondContact O-N 3.07Å; G206-R209 PolarHBondContact O-N 2.83Å; R209-A211 VanDerWaalsContact C-N 3.33Å; R209-A211 PolarHBondContact O-N 3.05Å; R209-L212 CarbonylContact O-C 3.53Å; R209-L212 WeakPolarHBondContact O-CA 3.43Å; R209-L212 PolarHBondContact O-N 3.45Å; R209-L212 VanDerWaalsContact O-N 3.12Å; R209-Q213 PolarHBondContact O-N 3.24Å; R209-K214 HydrophobicContact CB-CB 4.17Å; R209-K214 HydrophobicContact CG-CD 4.43Å; R209-K214 PolarHBondContact O-N 3.23Å; R209-A218 HydrophobicContact CB-CB 3.98Å; R209-D221 VanDerWaalsContact CD-OD2 3.26Å; R209-D221 WeakPolarHBondContact CD-OD2 3.39Å; R209-D221 IonicContact CZ-OD2 2.69Å; R209-D221 IonicContact NE-OD2 3.63Å; R209-D221 IonicContact NH1-OD1 3.46Å; R209-D221 PolarHBondContact NH1-OD1 3.36Å; R209-D221 IonicContact NH1-OD2 3.55Å; R209-D221 PolarHBondContact NH1-OD2 3.13Å
210F95Very high94.5Very high69 Ų6950.3 Ų50.330%0.30324%0.241SC..Hα-helixtrans-58.8-45.7171.9-176.8-97.9000111.4G206 A207 L212 Q213 H215 A218 L242 I245G206-F210 VanDerWaalsContact O-CB 3.32Å; G206-F210 WeakPolarHBondContact O-CB 3.41Å; G206-F210 PolarHBondContact O-N 3.33Å; A207-F210 PolarHBondContact O-N 3.41Å; F210-L212 PolarHBondContact O-N 2.86Å; F210-Q213 PolarHBondContact O-N 3.35Å; F210-Q213 VanDerWaalsContact O-N 3.08Å; F210-H215 AromaticContact CD2-ND1 3.9Å; F210-A218 HydrophobicContact CB-CB 4.44Å; F210-L242 HydrophobicContact CD2-CD2 3.55Å; F210-L242 HydrophobicContact CD2-CG 4.12Å; F210-L242 HydrophobicContact CE2-CD2 3.88Å; F210-L242 HydrophobicContact CE2-CG 4.34Å; F210-I245 HydrophobicContact CE2-CD1 3.62Å; F210-I245 HydrophobicContact CZ-CD1 3.89Å
211A94.3Very high94.6Very high37 Ų3745.7 Ų45.731%0.30622%0.221SC..Hα-helixtrans-65.9-25.2175.900000113.5F176 Y181 A207 A208 R209 Q213F176-A211 HydrophobicContact CE2-CB 4.3Å; Y181-A211 HydrophobicContact CD1-CB 3.65Å; Y181-A211 HydrophobicContact CD2-CB 3.81Å; Y181-A211 HydrophobicContact CE1-CB 3.67Å; Y181-A211 HydrophobicContact CE2-CB 3.82Å; Y181-A211 HydrophobicContact CG-CB 3.72Å; A207-A211 PolarHBondContact O-N 2.74Å; A207-A211 VanDerWaalsContact O-N 3.1Å; A208-A211 PolarHBondContact O-N 3.11Å; R209-A211 VanDerWaalsContact C-N 3.33Å; R209-A211 PolarHBondContact O-N 3.05Å; A211-Q213 VanDerWaalsContact C-N 3.32Å
212L93.3Very high94.6Very high58 Ų5846.5 Ų46.530%0.30422%0.224SC..THydrogen-bonded Turntrans-86.56.1173.6-69.4171.7000113.8A208 R209 F210 K214A208-L212 WeakPolarHBondContact O-CG 3.44Å; A208-L212 PolarHBondContact O-N 3.18Å; A208-L212 VanDerWaalsContact O-N 3.08Å; R209-L212 CarbonylContact O-C 3.53Å; R209-L212 WeakPolarHBondContact O-CA 3.43Å; R209-L212 PolarHBondContact O-N 3.45Å; R209-L212 VanDerWaalsContact O-N 3.12Å; F210-L212 PolarHBondContact O-N 2.86Å; L212-K214 HydrophobicContact CB-CD 4.34Å; L212-K214 HydrophobicContact CB-CG 4.23Å; L212-K214 PolarHBondContact O-N 3.46Å
213Q91.4Very high94.6Very high159 Ų15950.1 Ų50.174%0.74324%0.241SC*.THydrogen-bonded Turntrans61.317.9-175.7-56.5179-13.400114.6R209 F210 A211 H215R209-Q213 PolarHBondContact O-N 3.24Å; F210-Q213 PolarHBondContact O-N 3.35Å; F210-Q213 VanDerWaalsContact O-N 3.08Å; A211-Q213 VanDerWaalsContact C-N 3.32Å; Q213-H215 PolarHBondContact O-CD2 3.49Å; Q213-H215 PolarHBondContact O-N 2.75Å
214K92.6Very high94.5Very high85 Ų8551.8 Ų51.837%0.3725%0.245SC..  trans-85.264.2173.6-62.7176.7-177.6177.70109.8E185 R209 L212 Q216 L217 A218E185-K214 IonicContact OE1-NZ 3.52Å; E185-K214 IonicContact OE2-NZ 3.18Å; E185-K214 PolarHBondContact OE2-NZ 3.11Å; R209-K214 HydrophobicContact CB-CB 4.17Å; R209-K214 HydrophobicContact CG-CD 4.43Å; R209-K214 PolarHBondContact O-N 3.23Å; L212-K214 HydrophobicContact CB-CD 4.34Å; L212-K214 HydrophobicContact CB-CG 4.23Å; L212-K214 PolarHBondContact O-N 3.46Å; K214-Q216 PolarHBondContact O-N 3.05Å; K214-L217 HydrophobicContact CB-CB 4.45Å; K214-L217 HydrophobicContact CB-CD1 4.4Å; K214-L217 HydrophobicContact CD-CD1 4.21Å; K214-L217 PolarHBondContact O-N 3.37Å; K214-A218 WeakPolarHBondContact O-CB 3.45Å; K214-A218 PolarHBondContact O-N 3.34Å
215H92.6Very high94.5Very high40 Ų4045.7 Ų45.719%0.18522%0.223CC..Hα-helixtrans-61-38.8-170-61.8-56.5000113.7F210 Q213 A218 L219 L242 L246F210-H215 AromaticContact CD2-ND1 3.9Å; Q213-H215 PolarHBondContact O-CD2 3.49Å; Q213-H215 PolarHBondContact O-N 2.75Å; H215-A218 PolarHBondContact O-N 3.42Å; H215-L219 PolarHBondContact O-N 3.25Å; H215-L242 HydrophobicContact CB-CD2 3.84Å; H215-L246 HydrophobicContact CB-CD2 3.82Å; H215-L246 HydrophobicContact CB-CG 4.23Å
216Q91.1Very high94.4Very high105 Ų10546.3 Ų46.349%0.49123%0.228SC..Hα-helixtrans-65.2-49179-168.464.715.100112.4K214 A218 L219 E220K214-Q216 PolarHBondContact O-N 3.05Å; Q216-A218 VanDerWaalsContact C-N 3.27Å; Q216-A218 PolarHBondContact O-N 3.27Å; Q216-L219 VanDerWaalsContact O-CB 3.32Å; Q216-L219 WeakPolarHBondContact O-CB 3.21Å; Q216-L219 PolarHBondContact O-N 2.77Å; Q216-L219 VanDerWaalsContact O-N 3.1Å; Q216-E220 PolarHBondContact O-N 3.44Å
217L92.9Very high94.3Very high65 Ų6552.8 Ų52.834%0.3426%0.258SS..Hα-helixtrans-66.8-30.2178.6-63.7174.9000112.3K214 D221K214-L217 HydrophobicContact CB-CB 4.45Å; K214-L217 HydrophobicContact CB-CD1 4.4Å; K214-L217 HydrophobicContact CD-CD1 4.21Å; K214-L217 PolarHBondContact O-N 3.37Å; L217-D221 PolarHBondContact O-N 3.5Å
218A95.1Very high94.2Very high0 Ų055.2 Ų55.20%027%0.268CS..Hα-helixtrans-68.1-36.4172.900000111.7R209 F210 K214 H215 Q216 D221 Y222 L242R209-A218 HydrophobicContact CB-CB 3.98Å; F210-A218 HydrophobicContact CB-CB 4.44Å; K214-A218 WeakPolarHBondContact O-CB 3.45Å; K214-A218 PolarHBondContact O-N 3.34Å; H215-A218 PolarHBondContact O-N 3.42Å; Q216-A218 VanDerWaalsContact C-N 3.27Å; Q216-A218 PolarHBondContact O-N 3.27Å; A218-D221 PolarHBondContact O-N 2.96Å; A218-Y222 WeakPolarHBondContact O-CD2 3.04Å; A218-Y222 PolarHBondContact O-N 3.04Å; A218-L242 HydrophobicContact CB-CD1 3.87Å; A218-L242 HydrophobicContact CB-CD2 4.22Å
219L94.8Very high93.9Very high16 Ų1657.7 Ų57.78%0.08428%0.281CS..Hα-helixtrans-62.7-46.3177.2-176.870.9000111.1H215 Q216 D221 Y222 Q223 V239 L242 Q243 L246H215-L219 PolarHBondContact O-N 3.25Å; Q216-L219 VanDerWaalsContact O-CB 3.32Å; Q216-L219 WeakPolarHBondContact O-CB 3.21Å; Q216-L219 PolarHBondContact O-N 2.77Å; Q216-L219 VanDerWaalsContact O-N 3.1Å; L219-D221 VanDerWaalsContact C-N 3.33Å; L219-D221 PolarHBondContact O-N 3.43Å; L219-Y222 PolarHBondContact O-N 3.45Å; L219-Q223 WeakPolarHBondContact O-CB 3.4Å; L219-Q223 VanDerWaalsContact O-CG 3.27Å; L219-Q223 WeakPolarHBondContact O-CG 3.48Å; L219-Q223 PolarHBondContact O-N 2.86Å; L219-V239 HydrophobicContact CD1-CB 4.37Å; L219-V239 HydrophobicContact CD1-CG1 3.86Å; L219-V239 HydrophobicContact CD1-CG2 4.33Å; L219-L242 HydrophobicContact CB-CD1 4.4Å; L219-L242 HydrophobicContact CD1-CB 4.15Å; L219-Q243 HydrophobicContact CD1-CG 4.1Å; L219-L246 HydrophobicContact CD2-CD1 4.11Å
220E94.6Very high93.6Very high86 Ų8660.6 Ų60.640%0.40230%0.304SS..Hα-helixtrans-57.9-45.1175.6-68168.1-165.200111.5Q216 Y222 Q223 M224Q216-E220 PolarHBondContact O-N 3.44Å; E220-Y222 PolarHBondContact O-N 2.87Å; E220-Q223 WeakPolarHBondContact O-CB 3.38Å; E220-Q223 PolarHBondContact O-N 3.18Å; E220-M224 WeakPolarHBondContact O-CG 3.38Å; E220-M224 PolarHBondContact O-N 3.18Å
221D95.5Very high93.4Very high3 Ų360.3 Ų60.32%0.01632%0.32CS..Hα-helixtrans-62-44.9178.3-78-23.8000112.3R205 R209 L217 A218 L219 Q223 M224 V225R205-D221 WeakPolarHBondContact CG-OD2 3.41Å; R205-D221 IonicContact CZ-OD1 3.5Å; R205-D221 VanDerWaalsContact CZ-OD1 3.22Å; R205-D221 IonicContact CZ-OD2 3.86Å; R205-D221 IonicContact NE-OD1 3.55Å; R205-D221 PolarHBondContact NE-OD1 3.43Å; R205-D221 IonicContact NE-OD2 2.75Å; R205-D221 PolarHBondContact NE-OD2 3.48Å; R205-D221 IonicContact NH2-OD1 3.53Å; R205-D221 PolarHBondContact NH2-OD1 3.2Å; R209-D221 VanDerWaalsContact CD-OD2 3.26Å; R209-D221 WeakPolarHBondContact CD-OD2 3.39Å; R209-D221 IonicContact CZ-OD2 2.69Å; R209-D221 IonicContact NE-OD2 3.63Å; R209-D221 IonicContact NH1-OD1 3.46Å; R209-D221 PolarHBondContact NH1-OD1 3.36Å; R209-D221 IonicContact NH1-OD2 3.55Å; R209-D221 PolarHBondContact NH1-OD2 3.13Å; L217-D221 PolarHBondContact O-N 3.5Å; A218-D221 PolarHBondContact O-N 2.96Å; L219-D221 VanDerWaalsContact C-N 3.33Å; L219-D221 PolarHBondContact O-N 3.43Å; D221-Q223 VanDerWaalsContact C-N 3.35Å; D221-M224 WeakPolarHBondContact O-CB 3.37Å; D221-M224 PolarHBondContact O-N 3Å; D221-V225 WeakPolarHBondContact O-CG2 3.48Å; D221-V225 PolarHBondContact O-N 3.05Å
222Y95.8Very high93.3Very high17 Ų1759.6 Ų59.67%0.06731%0.311CS..Hα-helixtrans-71.3-29.6177.3-71.4-63.9000112.9A207 A218 L219 E220 V225 L226 A235 E238 L242A207-Y222 WeakPolarHBondContact CA-OH 3.46Å; A207-Y222 PolarHBondContact N-OH 3.29Å; A218-Y222 WeakPolarHBondContact O-CD2 3.04Å; A218-Y222 PolarHBondContact O-N 3.04Å; L219-Y222 PolarHBondContact O-N 3.45Å; E220-Y222 PolarHBondContact O-N 2.87Å; Y222-V225 WeakPolarHBondContact O-CB 3.25Å; Y222-V225 PolarHBondContact O-N 3.4Å; Y222-L226 WeakPolarHBondContact O-CG 3.42Å; Y222-L226 PolarHBondContact O-N 3.36Å; Y222-A235 HydrophobicContact CD1-CB 4.14Å; Y222-E238 HydrophobicContact CD1-CB 4.23Å; Y222-E238 HydrophobicContact CD2-CB 3.99Å; Y222-E238 HydrophobicContact CE1-CB 4.01Å; Y222-E238 HydrophobicContact CE1-CG 4.13Å; Y222-E238 HydrophobicContact CE2-CB 3.75Å; Y222-E238 HydrophobicContact CE2-CG 4.33Å; Y222-E238 HydrophobicContact CG-CB 4.23Å; Y222-L242 HydrophobicContact CD2-CD1 3.57Å; Y222-L242 HydrophobicContact CE2-CD1 3.91Å
223Q95.2Very high93.2Very high84 Ų8460.1 Ų60.139%0.39332%0.324SS..Hα-helixtrans-63.9-42.2169.9-75.3172.8-11.800111.2L219 E220 D221 V225 L226 Q227L219-Q223 WeakPolarHBondContact O-CB 3.4Å; L219-Q223 VanDerWaalsContact O-CG 3.27Å; L219-Q223 WeakPolarHBondContact O-CG 3.48Å; L219-Q223 PolarHBondContact O-N 2.86Å; E220-Q223 WeakPolarHBondContact O-CB 3.38Å; E220-Q223 PolarHBondContact O-N 3.18Å; D221-Q223 VanDerWaalsContact C-N 3.35Å; Q223-V225 VanDerWaalsContact C-N 3.3Å; Q223-V225 PolarHBondContact O-N 3.22Å; Q223-L226 PolarHBondContact O-N 3.24Å; Q223-L226 VanDerWaalsContact O-N 3.11Å; Q223-Q227 WeakPolarHBondContact O-CG 3.4Å; Q223-Q227 PolarHBondContact O-N 3.28Å
224M93.9Very high93.2Very high58 Ų5859.6 Ų59.629%0.28632%0.321SS..Hα-helixtrans-61.4-38.5172.5-69.7-53.9-52.300111.9Y202 E220 D221 L226 Q227 L228Y202-M224 HydrophobicContact CD1-CB 3.94Å; Y202-M224 HydrophobicContact CD1-CG 4.46Å; Y202-M224 HydrophobicContact CE1-CB 4.19Å; Y202-M224 HydrophobicContact CE1-CG 4.36Å; Y202-M224 HydrophobicContact CG-CB 4.35Å; E220-M224 WeakPolarHBondContact O-CG 3.38Å; E220-M224 PolarHBondContact O-N 3.18Å; D221-M224 WeakPolarHBondContact O-CB 3.37Å; D221-M224 PolarHBondContact O-N 3Å; M224-L226 VanDerWaalsContact C-N 3.31Å; M224-L226 PolarHBondContact O-N 3.43Å; M224-Q227 VanDerWaalsContact CE-OE1 3.28Å; M224-Q227 PolarHBondContact O-N 3.26Å; M224-Q227 PolarHBondContact SD-OE1 3.11Å; M224-L228 WeakPolarHBondContact O-CG 3.49Å; M224-L228 PolarHBondContact O-N 2.76Å
225V96.1Very high93.1Very high0 Ų055.6 Ų55.60%031%0.305CS..Hα-helixtrans-59.4-43.2172.2176.20000111.1Y199 A203 D221 Y222 Q223 Q227 L228 D229 N232 A235Y199-V225 HydrophobicContact CD2-CG1 4.16Å; A203-V225 HydrophobicContact CB-CG2 3.96Å; D221-V225 WeakPolarHBondContact O-CG2 3.48Å; D221-V225 PolarHBondContact O-N 3.05Å; Y222-V225 WeakPolarHBondContact O-CB 3.25Å; Y222-V225 PolarHBondContact O-N 3.4Å; Q223-V225 VanDerWaalsContact C-N 3.3Å; Q223-V225 PolarHBondContact O-N 3.22Å; V225-Q227 VanDerWaalsContact C-N 3.32Å; V225-Q227 PolarHBondContact O-N 3.41Å; V225-L228 PolarHBondContact O-N 3.3Å; V225-D229 CarbonylContact O-C 3.57Å; V225-D229 WeakPolarHBondContact O-CA 3.27Å; V225-D229 PolarHBondContact O-N 3.33Å; V225-N232 HydrophobicContact CG1-CB 4.33Å; V225-A235 HydrophobicContact CB-CB 4.12Å; V225-A235 HydrophobicContact CG1-CB 3.67Å
226L94.5Very high93.2Very high42 Ų4257.9 Ų57.922%0.2232%0.315CS..Hα-helixtrans-69.7-27.7177.9-66.1175.3000113.4Y222 Q223 M224 D229 P230 A235 Q236 V239Y222-L226 WeakPolarHBondContact O-CG 3.42Å; Y222-L226 PolarHBondContact O-N 3.36Å; Q223-L226 PolarHBondContact O-N 3.24Å; Q223-L226 VanDerWaalsContact O-N 3.11Å; M224-L226 VanDerWaalsContact C-N 3.31Å; M224-L226 PolarHBondContact O-N 3.43Å; L226-D229 CarbonylContact O-C 3.52Å; L226-P230 VanDerWaalsContact O-CA 3.26Å; L226-P230 WeakPolarHBondContact O-CA 3.34Å; L226-P230 WeakPolarHBondContact O-CG 3.48Å; L226-A235 HydrophobicContact CD2-CB 3.83Å; L226-A235 HydrophobicContact CG-CB 4.15Å; L226-Q236 HydrophobicContact CD1-CG 4.31Å; L226-Q236 HydrophobicContact CD2-CB 4.48Å; L226-Q236 HydrophobicContact CD2-CG 3.44Å; L226-Q236 VanDerWaalsContact CD2-CG 3.44Å; L226-V239 HydrophobicContact CD1-CG2 3.98Å
227Q94.1Very high93.3Very high135 Ų13555.2 Ų55.263%0.63131%0.308SS*.Hα-helixtrans-69.6-40.1172.2-71.3178.98.900111.7Q223 M224 V225Q223-Q227 WeakPolarHBondContact O-CG 3.4Å; Q223-Q227 PolarHBondContact O-N 3.28Å; M224-Q227 VanDerWaalsContact CE-OE1 3.28Å; M224-Q227 PolarHBondContact O-N 3.26Å; M224-Q227 PolarHBondContact SD-OE1 3.11Å; V225-Q227 VanDerWaalsContact C-N 3.32Å; V225-Q227 PolarHBondContact O-N 3.41Å
228L92.3Very high93.3Very high73 Ų7354 Ų5438%0.38230%0.3SS..Hα-helixtrans-81-37.9-179.5-65.5174.1000112.8Y202 M224 V225Y202-L228 HydrophobicContact CD2-CD1 4.05Å; Y202-L228 HydrophobicContact CE2-CD1 3.95Å; M224-L228 WeakPolarHBondContact O-CG 3.49Å; M224-L228 PolarHBondContact O-N 2.76Å; V225-L228 PolarHBondContact O-N 3.3Å
229D90.5Very high93.3Very high51 Ų5154.6 Ų54.627%0.27330%0.304SS..  trans-13587177.1-178.711.7000110.6Y199 V225 L226 G231 N232Y199-D229 HydrophobicContact CD2-CB 4.43Å; Y199-D229 HydrophobicContact CG-CB 4.45Å; V225-D229 CarbonylContact O-C 3.57Å; V225-D229 WeakPolarHBondContact O-CA 3.27Å; V225-D229 PolarHBondContact O-N 3.33Å; L226-D229 CarbonylContact O-C 3.52Å; D229-G231 PolarHBondContact O-N 3.18Å; D229-G231 VanDerWaalsContact O-N 3.11Å; D229-G231 PolarHBondContact OD1-N 3.49Å; D229-N232 HydrophobicContact CB-CB 4.4Å; D229-N232 PolarHBondContact O-N 2.96Å
230P90.4Very high93.2Very high90 Ų9059.8 Ų59.858%0.58433%0.326SS*.THydrogen-bonded Turntrans-60.7-19.5179.1-24.734.1000114.3L226 Q236L226-P230 VanDerWaalsContact O-CA 3.26Å; L226-P230 WeakPolarHBondContact O-CA 3.34Å; L226-P230 WeakPolarHBondContact O-CG 3.48Å; P230-Q236 PolarHBondContact O-NE2 3.48Å; P230-Q236 VanDerWaalsContact O-NE2 3.17Å
231G90.5Very high93.1Very high63 Ų6360.1 Ų60.165%0.64933%0.326SS*.THydrogen-bonded Turntrans-85.3-2.9-178.200000114.7D229 A233D229-G231 PolarHBondContact O-N 3.18Å; D229-G231 VanDerWaalsContact O-N 3.11Å; D229-G231 PolarHBondContact OD1-N 3.49Å; G231-A233 PolarHBondContact O-N 2.9Å
232N92.7Very high93Very high21 Ų2160 Ų6011%0.11233%0.326CS..  trans-75.297.9-174.5-167.9-26000112.5V225 D229 E234 A235 Q236V225-N232 HydrophobicContact CG1-CB 4.33Å; D229-N232 HydrophobicContact CB-CB 4.4Å; D229-N232 PolarHBondContact O-N 2.96Å; N232-E234 VanDerWaalsContact C-N 3.28Å; N232-E234 PolarHBondContact O-N 3.05Å; N232-E234 WeakPolarHBondContact OD1-CB 3.33Å; N232-E234 PolarHBondContact OD1-N 3.18Å; N232-A235 HydrophobicContact CB-CB 4.14Å; N232-A235 PolarHBondContact O-N 3.23Å; N232-A235 PolarHBondContact OD1-N 3.39Å; N232-Q236 WeakPolarHBondContact O-CG 3.45Å; N232-Q236 PolarHBondContact O-N 3.42Å
233A91.2Very high92.8Very high70 Ų7064 Ų6458%0.57935%0.345SS*.Hα-helixtrans-62.1-31.5178.300000113.6G231 S237G231-A233 PolarHBondContact O-N 2.9Å; A233-S237 PolarHBondContact O-N 3.27Å; A233-S237 VanDerWaalsContact O-N 3.08Å
234E90.6Very high92.6Very high147 Ų14765.6 Ų65.669%0.68735%0.353SS*.Hα-helixtrans-63.7-50.7177.5-60.2-179.1175.900109.8N232 Q236 S237 E238N232-E234 VanDerWaalsContact C-N 3.28Å; N232-E234 PolarHBondContact O-N 3.05Å; N232-E234 WeakPolarHBondContact OD1-CB 3.33Å; N232-E234 PolarHBondContact OD1-N 3.18Å; E234-Q236 VanDerWaalsContact C-N 3.35Å; E234-Q236 PolarHBondContact O-N 3.02Å; E234-S237 PolarHBondContact O-N 3.31Å; E234-S237 VanDerWaalsContact O-N 3.13Å; E234-S237 PolarHBondContact O-OG 3.33Å; E234-E238 WeakPolarHBondContact O-CG 3.44Å; E234-E238 PolarHBondContact O-N 2.86Å
235A91.9Very high92.3Very high2 Ų265.1 Ų65.12%0.01735%0.35CS..Hα-helixtrans-60.8-41.1179.200000112.4Y222 V225 L226 N232 S237 E238 V239Y222-A235 HydrophobicContact CD1-CB 4.14Å; V225-A235 HydrophobicContact CB-CB 4.12Å; V225-A235 HydrophobicContact CG1-CB 3.67Å; L226-A235 HydrophobicContact CD2-CB 3.83Å; L226-A235 HydrophobicContact CG-CB 4.15Å; N232-A235 HydrophobicContact CB-CB 4.14Å; N232-A235 PolarHBondContact O-N 3.23Å; N232-A235 PolarHBondContact OD1-N 3.39Å; A235-S237 VanDerWaalsContact C-N 3.32Å; A235-S237 PolarHBondContact O-N 3.23Å; A235-E238 PolarHBondContact O-N 2.79Å; A235-V239 VanDerWaalsContact O-CG2 3.29Å; A235-V239 WeakPolarHBondContact O-CG2 3.26Å; A235-V239 PolarHBondContact O-N 3.39Å
236Q93.1Very high91.9Very high88 Ų8867.4 Ų67.441%0.41136%0.363SS..Hα-helixtrans-62.2-39.7175.8-65.6-178.27.500112.3L226 P230 N232 E234 K240L226-Q236 HydrophobicContact CD1-CG 4.31Å; L226-Q236 HydrophobicContact CD2-CB 4.48Å; L226-Q236 HydrophobicContact CD2-CG 3.44Å; L226-Q236 VanDerWaalsContact CD2-CG 3.44Å; P230-Q236 PolarHBondContact O-NE2 3.48Å; P230-Q236 VanDerWaalsContact O-NE2 3.17Å; N232-Q236 WeakPolarHBondContact O-CG 3.45Å; N232-Q236 PolarHBondContact O-N 3.42Å; E234-Q236 VanDerWaalsContact C-N 3.35Å; E234-Q236 PolarHBondContact O-N 3.02Å; Q236-K240 WeakPolarHBondContact O-CG 3.39Å; Q236-K240 PolarHBondContact O-N 3.48Å
237S94Very high91.5Very high48 Ų4868.1 Ų68.134%0.33638%0.375SS..Hα-helixtrans-67.5-39.9177.479.80000111.9A233 E234 A235 K240 K241A233-S237 PolarHBondContact O-N 3.27Å; A233-S237 VanDerWaalsContact O-N 3.08Å; E234-S237 PolarHBondContact O-N 3.31Å; E234-S237 VanDerWaalsContact O-N 3.13Å; E234-S237 PolarHBondContact O-OG 3.33Å; A235-S237 VanDerWaalsContact C-N 3.32Å; A235-S237 PolarHBondContact O-N 3.23Å; S237-K240 PolarHBondContact O-N 2.87Å; S237-K241 VanDerWaalsContact O-CG 3.31Å; S237-K241 WeakPolarHBondContact O-CG 3.47Å; S237-K241 PolarHBondContact O-N 2.95Å; S237-K241 VanDerWaalsContact O-N 3.1Å
238E93.4Very high90.7Very high39 Ų3967.6 Ų67.618%0.18237%0.372CS..Hα-helixtrans-70.1-37.6178.4-66.2-55139.700112.1Y222 E234 A235 K240 K241 L242Y222-E238 HydrophobicContact CD1-CB 4.23Å; Y222-E238 HydrophobicContact CD2-CB 3.99Å; Y222-E238 HydrophobicContact CE1-CB 4.01Å; Y222-E238 HydrophobicContact CE1-CG 4.13Å; Y222-E238 HydrophobicContact CE2-CB 3.75Å; Y222-E238 HydrophobicContact CE2-CG 4.33Å; Y222-E238 HydrophobicContact CG-CB 4.23Å; E234-E238 WeakPolarHBondContact O-CG 3.44Å; E234-E238 PolarHBondContact O-N 2.86Å; A235-E238 PolarHBondContact O-N 2.79Å; E238-K240 PolarHBondContact O-N 3.06Å; E238-K241 PolarHBondContact O-N 2.98Å; E238-K241 IonicContact OE1-NZ 2.69Å; E238-K241 PolarHBondContact OE1-NZ 3.44Å; E238-K241 IonicContact OE2-NZ 3.91Å; E238-L242 WeakPolarHBondContact O-CB 3.48Å; E238-L242 WeakPolarHBondContact O-CG 3.22Å; E238-L242 PolarHBondContact O-N 3.28Å
239V93.7Very high89.6Confident13 Ų1368.8 Ų68.88%0.07938%0.382CS..Hα-helixtrans-59.7-46.2172.8166.90000111.2L219 L226 A235 L242 Q243L219-V239 HydrophobicContact CD1-CB 4.37Å; L219-V239 HydrophobicContact CD1-CG1 3.86Å; L219-V239 HydrophobicContact CD1-CG2 4.33Å; L226-V239 HydrophobicContact CD1-CG2 3.98Å; A235-V239 VanDerWaalsContact O-CG2 3.29Å; A235-V239 WeakPolarHBondContact O-CG2 3.26Å; A235-V239 PolarHBondContact O-N 3.39Å; V239-L242 PolarHBondContact O-N 3.47Å; V239-Q243 HydrophobicContact CG1-CG 4.41Å; V239-Q243 WeakPolarHBondContact O-CB 3.23Å; V239-Q243 VanDerWaalsContact O-CG 3.28Å; V239-Q243 WeakPolarHBondContact O-CG 3.37Å; V239-Q243 PolarHBondContact O-N 3.41Å
240K93.3Very high88.1Confident126 Ų12673.3 Ų73.355%0.54841%0.406SS..Hα-helixtrans-61.4-46.4177.2-72.4176.8-178.9178.30111.7Q236 S237 E238 L242 Q243 E244Q236-K240 WeakPolarHBondContact O-CG 3.39Å; Q236-K240 PolarHBondContact O-N 3.48Å; S237-K240 PolarHBondContact O-N 2.87Å; E238-K240 PolarHBondContact O-N 3.06Å; K240-L242 VanDerWaalsContact C-N 3.32Å; K240-L242 PolarHBondContact O-N 2.98Å; K240-Q243 PolarHBondContact O-N 3.16Å; K240-E244 WeakPolarHBondContact O-CG 3.38Å; K240-E244 PolarHBondContact O-N 3.08Å
241K93.4Very high86.6Confident93 Ų9375 Ų7540%0.40442%0.415SS..Hα-helixtrans-58.1-44.9175.7-69.5170.9-165.3170.40111.7S237 E238 E244 I245S237-K241 VanDerWaalsContact O-CG 3.31Å; S237-K241 WeakPolarHBondContact O-CG 3.47Å; S237-K241 PolarHBondContact O-N 2.95Å; S237-K241 VanDerWaalsContact O-N 3.1Å; E238-K241 PolarHBondContact O-N 2.98Å; E238-K241 IonicContact OE1-NZ 2.69Å; E238-K241 PolarHBondContact OE1-NZ 3.44Å; E238-K241 IonicContact OE2-NZ 3.91Å; K241-E244 PolarHBondContact O-N 3.17Å; K241-I245 WeakPolarHBondContact O-CD1 3.31Å; K241-I245 VanDerWaalsContact O-CG1 3.25Å; K241-I245 WeakPolarHBondContact O-CG1 3.34Å; K241-I245 PolarHBondContact O-N 3.12Å
242L92.3Very high84.9Confident0 Ų082.9 Ų82.90%043%0.425CS..Hα-helixtrans-63.9-42.3178.2-83.1168.3000112.2F210 H215 A218 L219 Y222 E238 V239 K240 I245 L246F210-L242 HydrophobicContact CD2-CD2 3.55Å; F210-L242 HydrophobicContact CD2-CG 4.12Å; F210-L242 HydrophobicContact CE2-CD2 3.88Å; F210-L242 HydrophobicContact CE2-CG 4.34Å; H215-L242 HydrophobicContact CB-CD2 3.84Å; A218-L242 HydrophobicContact CB-CD1 3.87Å; A218-L242 HydrophobicContact CB-CD2 4.22Å; L219-L242 HydrophobicContact CB-CD1 4.4Å; L219-L242 HydrophobicContact CD1-CB 4.15Å; Y222-L242 HydrophobicContact CD2-CD1 3.57Å; Y222-L242 HydrophobicContact CE2-CD1 3.91Å; E238-L242 WeakPolarHBondContact O-CB 3.48Å; E238-L242 WeakPolarHBondContact O-CG 3.22Å; E238-L242 PolarHBondContact O-N 3.28Å; V239-L242 PolarHBondContact O-N 3.47Å; K240-L242 VanDerWaalsContact C-N 3.32Å; K240-L242 PolarHBondContact O-N 2.98Å; L242-I245 PolarHBondContact O-N 3.34Å; L242-L246 WeakPolarHBondContact O-CB 3.43Å; L242-L246 VanDerWaalsContact O-CG 3.25Å; L242-L246 WeakPolarHBondContact O-CG 3.45Å; L242-L246 PolarHBondContact O-N 3.47Å
243Q91.8Very high82.5Confident100 Ų10084 Ų8447%0.46744%0.442SS..Hα-helixtrans-62.9-41.6175.6-74.4172.8-20.800112L219 V239 K240 L246 A247L219-Q243 HydrophobicContact CD1-CG 4.1Å; V239-Q243 HydrophobicContact CG1-CG 4.41Å; V239-Q243 WeakPolarHBondContact O-CB 3.23Å; V239-Q243 VanDerWaalsContact O-CG 3.28Å; V239-Q243 WeakPolarHBondContact O-CG 3.37Å; V239-Q243 PolarHBondContact O-N 3.41Å; K240-Q243 PolarHBondContact O-N 3.16Å; Q243-L246 PolarHBondContact O-N 2.99Å; Q243-A247 VanDerWaalsContact O-CB 3.31Å; Q243-A247 WeakPolarHBondContact O-CB 3.03Å; Q243-A247 PolarHBondContact O-N 3.17Å
244E90.7Very high80.2Confident119 Ų11986.2 Ų86.256%0.55645%0.45SS*.Hα-helixtrans-64.2-42175-72.4171.4-169.600112.2K240 K241 A247 Q248K240-E244 WeakPolarHBondContact O-CG 3.38Å; K240-E244 PolarHBondContact O-N 3.08Å; K241-E244 PolarHBondContact O-N 3.17Å; E244-A247 PolarHBondContact O-N 2.82Å; E244-Q248 VanDerWaalsContact O-CG 3.29Å; E244-Q248 WeakPolarHBondContact O-CG 3.47Å; E244-Q248 PolarHBondContact O-N 3.39Å
245I88.6Confident77.9Confident47 Ų4783.9 Ų83.924%0.24146%0.456CS..Hα-helixtrans-64-46.3176.6-70.4162.6000110.4F210 K241 L242 A247 Q248 V249F210-I245 HydrophobicContact CE2-CD1 3.62Å; F210-I245 HydrophobicContact CZ-CD1 3.89Å; K241-I245 WeakPolarHBondContact O-CD1 3.31Å; K241-I245 VanDerWaalsContact O-CG1 3.25Å; K241-I245 WeakPolarHBondContact O-CG1 3.34Å; K241-I245 PolarHBondContact O-N 3.12Å; L242-I245 PolarHBondContact O-N 3.34Å; I245-A247 PolarHBondContact O-N 3.24Å; I245-Q248 PolarHBondContact O-N 2.9Å; I245-V249 WeakPolarHBondContact O-CG2 3.4Å; I245-V249 PolarHBondContact O-N 3.26Å
246L86.7Confident75.9Confident49 Ų4989.8 Ų89.826%0.25749%0.491SS..Hα-helixtrans-63-41.9178.5-71.9169.7000111.5H215 L219 L242 Q243 Q248 V249 D250H215-L246 HydrophobicContact CB-CD2 3.82Å; H215-L246 HydrophobicContact CB-CG 4.23Å; L219-L246 HydrophobicContact CD2-CD1 4.11Å; L242-L246 WeakPolarHBondContact O-CB 3.43Å; L242-L246 VanDerWaalsContact O-CG 3.25Å; L242-L246 WeakPolarHBondContact O-CG 3.45Å; L242-L246 PolarHBondContact O-N 3.47Å; Q243-L246 PolarHBondContact O-N 2.99Å; L246-Q248 VanDerWaalsContact C-N 3.32Å; L246-Q248 PolarHBondContact O-N 3.41Å; L246-V249 PolarHBondContact O-N 3.14Å; L246-D250 PolarHBondContact O-N 3.42Å; L246-D250 VanDerWaalsContact O-N 3.15Å
247A85.5Confident73.4Confident57 Ų5792.9 Ų92.947%0.47151%0.506SS..Hα-helixtrans-64.2-34.1175.100000112.9Q243 E244 I245 V251Q243-A247 VanDerWaalsContact O-CB 3.31Å; Q243-A247 WeakPolarHBondContact O-CB 3.03Å; Q243-A247 PolarHBondContact O-N 3.17Å; E244-A247 PolarHBondContact O-N 2.82Å; I245-A247 PolarHBondContact O-N 3.24Å; A247-V251 VanDerWaalsContact O-CG2 3.3Å; A247-V251 WeakPolarHBondContact O-CG2 3.24Å
248Q78.7Confident70.9Confident123 Ų12396.3 Ų96.358%0.57553%0.527SS*.Hα-helixtrans-73.6-33.3175.9-74.7175.146.700113E244 I245 L246 D250 V251 R252E244-Q248 VanDerWaalsContact O-CG 3.29Å; E244-Q248 WeakPolarHBondContact O-CG 3.47Å; E244-Q248 PolarHBondContact O-N 3.39Å; I245-Q248 PolarHBondContact O-N 2.9Å; L246-Q248 VanDerWaalsContact C-N 3.32Å; L246-Q248 PolarHBondContact O-N 3.41Å; Q248-D250 VanDerWaalsContact C-N 3.34Å; Q248-V251 PolarHBondContact O-N 3.48Å; Q248-R252 PolarHBondContact O-N 2.91Å
249V67.8Low68.6Low98 Ų9897.6 Ų97.659%0.59454%0.544SS*.Hα-helixtrans-67.3-37.5175.9171.10000110.9I245 L246 V251I245-V249 WeakPolarHBondContact O-CG2 3.4Å; I245-V249 PolarHBondContact O-N 3.26Å; L246-V249 PolarHBondContact O-N 3.14Å; V249-V251 VanDerWaalsContact C-N 3.29Å; V249-V251 PolarHBondContact O-N 3.04Å
250D60.4Low66.3Low146 Ų146105.2 Ų105.278%0.78158%0.579SS**Hα-helixtrans-68.8-24.7-180-144.411.8000113.1L246 Q248L246-D250 PolarHBondContact O-N 3.42Å; L246-D250 VanDerWaalsContact O-N 3.15Å; Q248-D250 VanDerWaalsContact C-N 3.34Å
251V59.6Low64.1Low126 Ų126101.4 Ų101.476%0.76457%0.571SS**Hα-helixtrans-93.7-17.9-176.2177.40000113.4A247 Q248 V249A247-V251 VanDerWaalsContact O-CG2 3.3Å; A247-V251 WeakPolarHBondContact O-CG2 3.24Å; Q248-V251 PolarHBondContact O-N 3.48Å; V249-V251 VanDerWaalsContact C-N 3.29Å; V249-V251 PolarHBondContact O-N 3.04Å
252R53Low62.7Low229 Ų229100.1 Ų100.186%0.86457%0.571SS**Hα-helixtrans-104.9-4.8-171.7-110.9179.2-177.1178.21.9116.2Q248Q248-R252 PolarHBondContact O-N 2.91Å
253G42.1Very low61.4Low45 Ų45104 Ų10446%0.46460%0.604SS.*SBendtrans-96.5143.6174.100000112A255G253-A255 PolarHBondContact O-N 2.69Å
254P44.8Very low60.3Low116 Ų116101.6 Ų101.675%0.75360%0.6SS**SBendtrans-56.3140.414529.9-29.8000105.8V256P254-V256 PolarHBondContact O-N 3.38Å
255A42.3Very low59.4Low98 Ų9897.8 Ų97.881%0.8158%0.584SS**SBendtrans-56.277.2-176.400000112.7G253 Q257G253-A255 PolarHBondContact O-N 2.69Å; A255-Q257 PolarHBondContact O-N 3.04Å
256V48Very low58.8Low126 Ų126100.9 Ų100.976%0.76460%0.597SS**  trans-88.385.9146.4-174.30000102P254 P258P254-V256 PolarHBondContact O-N 3.38Å; V256-P258 WeakPolarHBondContact O-CD 3.01Å; V256-P258 VanDerWaalsContact O-N 3.15Å
257Q40.8Very low58.6Low153 Ų153103 Ų10372%0.71561%0.606SS**  trans-42.4125.4158.2-64.3170.85.200105.4A255 A259A255-Q257 PolarHBondContact O-N 3.04Å; Q257-A259 PolarHBondContact O-N 3.21Å
258P42.8Very low58.6Low119 Ų119107.5 Ų107.577%0.77361%0.611SS**  trans-56.5104.1154.222.3-23000102.3V256 E260V256-P258 WeakPolarHBondContact O-CD 3.01Å; V256-P258 VanDerWaalsContact O-N 3.15Å; P258-E260 VanDerWaalsContact C-N 3.31Å; P258-E260 PolarHBondContact O-N 2.99Å
259A43.5Very low58.9Low67 Ų67107 Ų10755%0.55461%0.608SS**  trans-51.9108-175.700000104.9Q257 A261Q257-A259 PolarHBondContact O-N 3.21Å; A259-A261 VanDerWaalsContact C-N 3.31Å; A259-A261 PolarHBondContact O-N 3.44Å
260E45.8Very low59.9Low172 Ų172106.2 Ų106.280%0.80460%0.6SS**  trans-42.1114.2153.6-67.6180160.800102.3P258 T262P258-E260 VanDerWaalsContact C-N 3.31Å; P258-E260 PolarHBondContact O-N 2.99Å; E260-T262 VanDerWaalsContact O-CA 3.28Å; E260-T262 WeakPolarHBondContact O-CA 3.46Å; E260-T262 WeakPolarHBondContact O-CG2 3.32Å; E260-T262 PolarHBondContact O-N 3.49Å
261A48Very low61.3Low46 Ų46103.5 Ų103.538%0.3858%0.583SS.*  trans-50103.2-177.500000104.8A259 D265 Q266A259-A261 VanDerWaalsContact C-N 3.31Å; A259-A261 PolarHBondContact O-N 3.44Å; A261-D265 HydrophobicContact CB-CB 4.26Å; A261-Q266 HydrophobicContact CB-CG 4.18Å
262T62.8Low62.7Low67 Ų67101.3 Ų101.341%0.41156%0.564SS.*  trans-63.4159.4-163.750.80000105.5E260 A264 D265 Q266E260-T262 VanDerWaalsContact O-CA 3.28Å; E260-T262 WeakPolarHBondContact O-CA 3.46Å; E260-T262 WeakPolarHBondContact O-CG2 3.32Å; E260-T262 PolarHBondContact O-N 3.49Å; T262-A264 CarbonylContact O-C 3.56Å; T262-A264 PolarHBondContact O-N 3.13Å; T262-D265 PolarHBondContact N-OD2 3.08Å; T262-D265 VanDerWaalsContact N-OD2 3.15Å; T262-D265 WeakPolarHBondContact O-CA 3.29Å; T262-D265 PolarHBondContact O-N 3.21Å; T262-D265 PolarHBondContact OG1-N 3.38Å; T262-D265 PolarHBondContact OG1-OD2 3.34Å; T262-Q266 PolarHBondContact O-N 3.45Å
263A66.4Low64.5Low82 Ų8295.6 Ų95.668%0.67855%0.548SS*.Hα-helixtrans-48.3-28.817300000111.5Q267A263-Q267 WeakPolarHBondContact O-CB 3.49Å; A263-Q267 PolarHBondContact O-N 3.01Å
264A67.7Low66.9Low48 Ų4898.9 Ų98.940%0.39755%0.551SS.*Hα-helixtrans-68.3-40.8170.400000115.2T262 Q267 R268T262-A264 CarbonylContact O-C 3.56Å; T262-A264 PolarHBondContact O-N 3.13Å; A264-Q267 PolarHBondContact O-N 2.94Å; A264-R268 VanDerWaalsContact O-CG 3.3Å; A264-R268 WeakPolarHBondContact O-CG 3.49Å; A264-R268 PolarHBondContact O-N 3.42Å
265D72.9Confident69.2Low40 Ų4099 Ų9921%0.21454%0.536CS..Hα-helixtrans-72.3-37.1176.2-60.2-47.3000111.8A261 T262 Q267 R268 Q269A261-D265 HydrophobicContact CB-CB 4.26Å; T262-D265 PolarHBondContact N-OD2 3.08Å; T262-D265 VanDerWaalsContact N-OD2 3.15Å; T262-D265 WeakPolarHBondContact O-CA 3.29Å; T262-D265 PolarHBondContact O-N 3.21Å; T262-D265 PolarHBondContact OG1-N 3.38Å; T262-D265 PolarHBondContact OG1-OD2 3.34Å; D265-Q267 VanDerWaalsContact C-N 3.34Å; D265-R268 PolarHBondContact O-N 2.92Å; D265-R268 IonicContact OD1-CZ 3.38Å; D265-R268 IonicContact OD1-NH1 3.24Å; D265-R268 PolarHBondContact OD1-NH1 3.23Å; D265-R268 IonicContact OD1-NH2 2.69Å; D265-Q269 VanDerWaalsContact O-CG 3.32Å; D265-Q269 WeakPolarHBondContact O-CG 3.42Å; D265-Q269 PolarHBondContact O-N 3Å
266Q75.4Confident71.6Confident112 Ų11298.6 Ų98.652%0.52352%0.516SS..Hα-helixtrans-62-43.4170.7-68.8-178.3-13.300111A261 T262 Q269 L270A261-Q266 HydrophobicContact CB-CG 4.18Å; T262-Q266 PolarHBondContact O-N 3.45Å; Q266-Q269 PolarHBondContact O-N 3.29Å; Q266-L270 VanDerWaalsContact O-CG 3.3Å; Q266-L270 WeakPolarHBondContact O-CG 3.32Å; Q266-L270 PolarHBondContact O-N 2.92Å
267Q82.1Confident73.7Confident93 Ų9398.9 Ų98.944%0.43551%0.509SS..Hα-helixtrans-62.1-44.3175.3-176.763.419.400112.1A263 A264 D265 Q269 L270 E271A263-Q267 WeakPolarHBondContact O-CB 3.49Å; A263-Q267 PolarHBondContact O-N 3.01Å; A264-Q267 PolarHBondContact O-N 2.94Å; D265-Q267 VanDerWaalsContact C-N 3.34Å; Q267-Q269 VanDerWaalsContact C-N 3.33Å; Q267-Q269 PolarHBondContact O-N 3.43Å; Q267-L270 PolarHBondContact O-N 2.85Å; Q267-E271 WeakPolarHBondContact CG-OE1 3.3Å; Q267-E271 PolarHBondContact NE2-OE1 3.32Å; Q267-E271 WeakPolarHBondContact O-CG 3.45Å; Q267-E271 PolarHBondContact O-N 2.72Å
268R84.9Confident76.2Confident152 Ų15296.3 Ų96.357%0.57450%0.497SS*.Hα-helixtrans-61.8-39.4175.1-73.8-179.6-150.4143.710.5112.3A264 D265 E271 E272A264-R268 VanDerWaalsContact O-CG 3.3Å; A264-R268 WeakPolarHBondContact O-CG 3.49Å; A264-R268 PolarHBondContact O-N 3.42Å; D265-R268 PolarHBondContact O-N 2.92Å; D265-R268 IonicContact OD1-CZ 3.38Å; D265-R268 IonicContact OD1-NH1 3.24Å; D265-R268 PolarHBondContact OD1-NH1 3.23Å; D265-R268 IonicContact OD1-NH2 2.69Å; R268-E271 PolarHBondContact O-N 2.93Å; R268-E272 WeakPolarHBondContact O-CB 3.48Å; R268-E272 PolarHBondContact O-N 3.23Å
269Q85.3Confident78.7Confident111 Ų11190.6 Ų90.652%0.51946%0.46SS..Hα-helixtrans-65.4-41.3175.7-74.6177-0.400111.7D265 Q266 Q267 E272 Q273D265-Q269 VanDerWaalsContact O-CG 3.32Å; D265-Q269 WeakPolarHBondContact O-CG 3.42Å; D265-Q269 PolarHBondContact O-N 3Å; Q266-Q269 PolarHBondContact O-N 3.29Å; Q267-Q269 VanDerWaalsContact C-N 3.33Å; Q267-Q269 PolarHBondContact O-N 3.43Å; Q269-E272 PolarHBondContact O-N 3.44Å; Q269-Q273 WeakPolarHBondContact O-CB 3.24Å; Q269-Q273 VanDerWaalsContact O-CG 3.28Å; Q269-Q273 WeakPolarHBondContact O-CG 3.38Å; Q269-Q273 PolarHBondContact O-N 3.15Å
270L89Confident81.1Confident83 Ų8390.4 Ų90.444%0.43545%0.452SS..Hα-helixtrans-63.2-43.6174.8-70.9170.2000111.3Q266 Q267 Q273 Q274Q266-L270 VanDerWaalsContact O-CG 3.3Å; Q266-L270 WeakPolarHBondContact O-CG 3.32Å; Q266-L270 PolarHBondContact O-N 2.92Å; Q267-L270 PolarHBondContact O-N 2.85Å; L270-Q273 PolarHBondContact O-N 2.82Å; L270-Q274 WeakPolarHBondContact O-CB 3.39Å; L270-Q274 VanDerWaalsContact O-CG 3.24Å; L270-Q274 WeakPolarHBondContact O-CG 3.38Å; L270-Q274 PolarHBondContact O-N 3.1Å
271E90.3Very high83.4Confident88 Ų8888.1 Ų88.141%0.41144%0.443SS..Hα-helixtrans-63.8-40.4176.2-73.9170.8-169.300112.1Q267 R268 Q274 R275Q267-E271 WeakPolarHBondContact CG-OE1 3.3Å; Q267-E271 PolarHBondContact NE2-OE1 3.32Å; Q267-E271 WeakPolarHBondContact O-CG 3.45Å; Q267-E271 PolarHBondContact O-N 2.72Å; R268-E271 PolarHBondContact O-N 2.93Å; E271-Q274 PolarHBondContact O-N 3.07Å; E271-R275 WeakPolarHBondContact O-CG 3.38Å; E271-R275 PolarHBondContact O-N 3.3Å
272E89.5Confident85.7Confident81 Ų8186.9 Ų86.938%0.37943%0.429SS..Hα-helixtrans-65.6-41174.6-168-173.4149.500112R268 Q269 R275 K276R268-E272 WeakPolarHBondContact O-CB 3.48Å; R268-E272 PolarHBondContact O-N 3.23Å; Q269-E272 PolarHBondContact O-N 3.44Å; E272-R275 PolarHBondContact O-N 2.98Å; E272-K276 HydrophobicContact CG-CD 4.48Å; E272-K276 WeakPolarHBondContact O-CG 3.38Å; E272-K276 PolarHBondContact O-N 3.47Å; E272-K276 WeakPolarHBondContact OE1-CE 3.29Å; E272-K276 IonicContact OE1-NZ 3.75Å; E272-K276 PolarHBondContact OE1-NZ 3.45Å
273Q90.7Very high87.3Confident109 Ų10985.5 Ų85.551%0.50942%0.417SS..Hα-helixtrans-63.6-40.8174.4-74.4176.810.500111.8Q269 L270 K276 Q277Q269-Q273 WeakPolarHBondContact O-CB 3.24Å; Q269-Q273 VanDerWaalsContact O-CG 3.28Å; Q269-Q273 WeakPolarHBondContact O-CG 3.38Å; Q269-Q273 PolarHBondContact O-N 3.15Å; L270-Q273 PolarHBondContact O-N 2.82Å; Q273-K276 PolarHBondContact O-N 2.79Å; Q273-Q277 WeakPolarHBondContact O-CG 3.34Å; Q273-Q277 PolarHBondContact O-N 3.1Å
274Q91.9Very high88.7Confident113 Ų11385.4 Ų85.453%0.52841%0.405SS..Hα-helixtrans-62.3-45.3175.8-74.617212.200111.4L270 E271 K276 Q277 E278L270-Q274 WeakPolarHBondContact O-CB 3.39Å; L270-Q274 VanDerWaalsContact O-CG 3.24Å; L270-Q274 WeakPolarHBondContact O-CG 3.38Å; L270-Q274 PolarHBondContact O-N 3.1Å; E271-Q274 PolarHBondContact O-N 3.07Å; Q274-K276 VanDerWaalsContact C-N 3.33Å; Q274-K276 PolarHBondContact O-N 3.4Å; Q274-Q277 WeakPolarHBondContact O-CB 3.36Å; Q274-Q277 PolarHBondContact O-N 3.19Å; Q274-Q277 VanDerWaalsContact O-N 3.17Å; Q274-E278 PolarHBondContact O-N 3.39Å
275R93Very high90Very high119 Ų11989.1 Ų89.145%0.44941%0.409SS..Hα-helixtrans-60.6-41.1175.1-76.4-171.3-70.9110.5-3.9112.5E271 E272 E278 A279 A308E271-R275 WeakPolarHBondContact O-CG 3.38Å; E271-R275 PolarHBondContact O-N 3.3Å; E272-R275 PolarHBondContact O-N 2.98Å; R275-E278 PolarHBondContact O-N 2.97Å; R275-A279 WeakPolarHBondContact O-CB 3.48Å; R275-A279 PolarHBondContact O-N 2.9Å; R275-A308 PolarHBondContact NH1-O 2.98Å
276K91.9Very high91.1Very high89 Ų8987.2 Ų87.239%0.38740%0.399SS..Hα-helixtrans-62.1-42.4173.9-75.7169.5170.2165.90112E272 Q273 Q274 A279 V280E272-K276 HydrophobicContact CG-CD 4.48Å; E272-K276 WeakPolarHBondContact O-CG 3.38Å; E272-K276 PolarHBondContact O-N 3.47Å; E272-K276 WeakPolarHBondContact OE1-CE 3.29Å; E272-K276 IonicContact OE1-NZ 3.75Å; E272-K276 PolarHBondContact OE1-NZ 3.45Å; Q273-K276 PolarHBondContact O-N 2.79Å; Q274-K276 VanDerWaalsContact C-N 3.33Å; Q274-K276 PolarHBondContact O-N 3.4Å; K276-A279 PolarHBondContact O-N 2.75Å; K276-V280 WeakPolarHBondContact O-CG2 3.44Å; K276-V280 PolarHBondContact O-N 2.69Å; K276-V280 VanDerWaalsContact O-N 3.13Å
277Q92.5Very high92.1Very high132 Ų13284 Ų8462%0.61739%0.385SS*.Hα-helixtrans-65.1-41.5176.2-72.8175.15.500112Q273 Q274 V280 M281Q273-Q277 WeakPolarHBondContact O-CG 3.34Å; Q273-Q277 PolarHBondContact O-N 3.1Å; Q274-Q277 WeakPolarHBondContact O-CB 3.36Å; Q274-Q277 PolarHBondContact O-N 3.19Å; Q274-Q277 VanDerWaalsContact O-N 3.17Å; Q277-V280 PolarHBondContact O-N 3.42Å; Q277-M281 PolarHBondContact O-N 3.42Å
278E93.4Very high92.8Very high99 Ų9981.6 Ų81.646%0.46338%0.382SS..Hα-helixtrans-61-44.5175-176.3173.4-168.600111.3Q274 R275 V280 M281 Q282 A308Q274-E278 PolarHBondContact O-N 3.39Å; R275-E278 PolarHBondContact O-N 2.97Å; E278-V280 VanDerWaalsContact C-N 3.29Å; E278-V280 PolarHBondContact O-N 3.43Å; E278-M281 WeakPolarHBondContact O-CB 3.37Å; E278-M281 PolarHBondContact O-N 3.22Å; E278-M281 VanDerWaalsContact O-N 3.15Å; E278-Q282 HydrophobicContact CG-CG 4.46Å; E278-Q282 WeakPolarHBondContact O-CG 3.5Å; E278-Q282 PolarHBondContact O-N 3.1Å; E278-A308 HydrophobicContact CB-CB 4.48Å; E278-A308 HydrophobicContact CG-CB 4.46Å
279A94.9Very high93.4Very high0 Ų077 Ų770%037%0.365CS..Hα-helixtrans-58.1-40.9175.600000112.5R275 K276 K283 G305 A308 D309 L315R275-A279 WeakPolarHBondContact O-CB 3.48Å; R275-A279 PolarHBondContact O-N 2.9Å; K276-A279 PolarHBondContact O-N 2.75Å; A279-K283 WeakPolarHBondContact O-CB 3.44Å; A279-K283 PolarHBondContact O-N 3.45Å; A279-G305 WeakPolarHBondContact CB-O 3.28Å; A279-A308 HydrophobicContact CB-CB 4.07Å; A279-D309 HydrophobicContact CB-CB 3.47Å; A279-D309 VanDerWaalsContact CB-CB 3.47Å; A279-L315 HydrophobicContact CB-CD1 4.28Å
280V94.6Very high93.9Very high62 Ų6274.2 Ų74.238%0.37635%0.351SS..Hα-helixtrans-65.5-43.4175.4173.90000111.5K276 Q277 E278 Q282 K283 D284K276-V280 WeakPolarHBondContact O-CG2 3.44Å; K276-V280 PolarHBondContact O-N 2.69Å; K276-V280 VanDerWaalsContact O-N 3.13Å; Q277-V280 PolarHBondContact O-N 3.42Å; E278-V280 VanDerWaalsContact C-N 3.29Å; E278-V280 PolarHBondContact O-N 3.43Å; V280-Q282 PolarHBondContact O-N 2.86Å; V280-K283 WeakPolarHBondContact O-CB 3.22Å; V280-K283 PolarHBondContact O-N 3.36Å; V280-D284 PolarHBondContact O-N 3.32Å
281M95Very high94.2Very high125 Ų12579 Ų7962%0.61637%0.368SS*.Hα-helixtrans-60.6-46.3176.6-173.5-152.6-63.300111.5Q277 E278 K283 D284 R285Q277-M281 PolarHBondContact O-N 3.42Å; E278-M281 WeakPolarHBondContact O-CB 3.37Å; E278-M281 PolarHBondContact O-N 3.22Å; E278-M281 VanDerWaalsContact O-N 3.15Å; M281-K283 VanDerWaalsContact C-N 3.33Å; M281-K283 PolarHBondContact O-N 2.88Å; M281-D284 PolarHBondContact O-N 2.97Å; M281-R285 PolarHBondContact O-N 2.97Å
282Q95.6Very high94.5Very high19 Ų1980 Ų809%0.08937%0.373CS..Hα-helixtrans-64.9-38.1178.6-66.1-59.3-16.400112E278 V280 R285 G286 C301 R304E278-Q282 HydrophobicContact CG-CG 4.46Å; E278-Q282 WeakPolarHBondContact O-CG 3.5Å; E278-Q282 PolarHBondContact O-N 3.1Å; V280-Q282 PolarHBondContact O-N 2.86Å; Q282-R285 PolarHBondContact O-N 3.38Å; Q282-G286 PolarHBondContact O-N 3.37Å; Q282-C301 WeakPolarHBondContact CB-O 3.37Å; Q282-R304 HydrophobicContact CG-CB 4.32Å
283K96.3Very high94.7Very high38 Ų3877.8 Ų77.817%0.16537%0.371CS..Hα-helixtrans-58.3-47.7172.1-178.1-147.668.8179.40111.2A279 V280 M281 G286 N287 L315A279-K283 WeakPolarHBondContact O-CB 3.44Å; A279-K283 PolarHBondContact O-N 3.45Å; V280-K283 WeakPolarHBondContact O-CB 3.22Å; V280-K283 PolarHBondContact O-N 3.36Å; M281-K283 VanDerWaalsContact C-N 3.33Å; M281-K283 PolarHBondContact O-N 2.88Å; K283-G286 PolarHBondContact O-N 3.47Å; K283-N287 PolarHBondContact O-N 2.79Å; K283-N287 PolarHBondContact O-ND2 2.98Å; K283-L315 HydrophobicContact CB-CD2 3.62Å; K283-L315 HydrophobicContact CG-CD2 4.03Å
284D95.4Very high94.9Very high80 Ų8077.8 Ų77.843%0.42837%0.37SS..Hα-helixtrans-68-37.7-178.8-68-26.9000112V280 M281 N287 A288V280-D284 PolarHBondContact O-N 3.32Å; M281-D284 PolarHBondContact O-N 2.97Å; D284-N287 WeakPolarHBondContact O-CB 3.32Å; D284-N287 PolarHBondContact O-N 3.22Å; D284-A288 PolarHBondContact O-N 3.15Å
285R95.2Very high95.2Very high126 Ų12675.1 Ų75.148%0.47536%0.355SS..Hα-helixtrans-63.2-43.8171.6-171.4178.1-173.9170.32112.2M281 Q282 N287 A288 Y289M281-R285 PolarHBondContact O-N 2.97Å; Q282-R285 PolarHBondContact O-N 3.38Å; R285-N287 VanDerWaalsContact C-N 3.3Å; R285-N287 PolarHBondContact O-N 2.92Å; R285-A288 WeakPolarHBondContact O-CB 3.28Å; R285-A288 PolarHBondContact O-N 3Å; R285-Y289 HydrophobicContact CG-CD2 4.21Å; R285-Y289 HydrophobicContact CG-CE2 3.84Å; R285-Y289 PolarHBondContact NH2-OH 3.07Å; R285-Y289 WeakPolarHBondContact O-CD2 3.44Å; R285-Y289 PolarHBondContact O-N 2.67Å; R285-Y289 VanDerWaalsContact O-N 3.09Å
286G96.5Very high95.3Very high0 Ų074.6 Ų74.60%036%0.358CS..Hα-helixtrans-60.5-40.4174.300000112Q282 K283 A288 Y289 F290 A298 Y302Q282-G286 PolarHBondContact O-N 3.37Å; K283-G286 PolarHBondContact O-N 3.47Å; G286-A288 VanDerWaalsContact C-N 3.32Å; G286-A288 PolarHBondContact O-N 2.69Å; G286-Y289 PolarHBondContact O-N 3.13Å; G286-F290 WeakPolarHBondContact O-CB 3.09Å; G286-F290 PolarHBondContact O-N 3.49Å; G286-A298 WeakPolarHBondContact O-CB 3.02Å; G286-Y302 PolarHBondContact O-OH 2.91Å
287N95.8Very high95.5Very high44 Ų4471.9 Ų71.924%0.23535%0.352CS..Hα-helixtrans-63.7-36.6175.2-70.6-28.9000112K283 D284 R285 F290 K291 Y302 N318K283-N287 PolarHBondContact O-N 2.79Å; K283-N287 PolarHBondContact O-ND2 2.98Å; D284-N287 WeakPolarHBondContact O-CB 3.32Å; D284-N287 PolarHBondContact O-N 3.22Å; R285-N287 VanDerWaalsContact C-N 3.3Å; R285-N287 PolarHBondContact O-N 2.92Å; N287-F290 PolarHBondContact O-N 3.05Å; N287-K291 WeakPolarHBondContact O-CG 3.44Å; N287-K291 PolarHBondContact O-N 3.39Å; N287-K291 VanDerWaalsContact O-N 3.08Å; N287-Y302 WeakPolarHBondContact CA-OH 3.35Å; N287-Y302 PolarHBondContact N-OH 3.49Å; N287-Y302 PolarHBondContact OD1-OH 3.24Å; N287-N318 PolarHBondContact OD1-ND2 2.6Å
288A96.3Very high95.7Very high44 Ų4465.6 Ų65.636%0.36432%0.322SS..Hα-helixtrans-63.8-50.1174.800000111.4D284 R285 G286 F290 K291 E292D284-A288 PolarHBondContact O-N 3.15Å; R285-A288 WeakPolarHBondContact O-CB 3.28Å; R285-A288 PolarHBondContact O-N 3Å; G286-A288 VanDerWaalsContact C-N 3.32Å; G286-A288 PolarHBondContact O-N 2.69Å; A288-F290 VanDerWaalsContact C-N 3.29Å; A288-F290 PolarHBondContact O-N 3.24Å; A288-K291 WeakPolarHBondContact O-CB 3.47Å; A288-K291 PolarHBondContact O-N 3.2Å; A288-K291 VanDerWaalsContact O-N 3.12Å; A288-E292 PolarHBondContact O-N 2.73Å
289Y97.4Very high95.9Very high56 Ų5661.7 Ų61.722%0.2231%0.305CS..Hα-helixtrans-62.3-35.4175.6-71.2-49.2000113.2R285 G286 K291 E292 G293 K294 A297 C301R285-Y289 HydrophobicContact CG-CD2 4.21Å; R285-Y289 HydrophobicContact CG-CE2 3.84Å; R285-Y289 PolarHBondContact NH2-OH 3.07Å; R285-Y289 WeakPolarHBondContact O-CD2 3.44Å; R285-Y289 PolarHBondContact O-N 2.67Å; R285-Y289 VanDerWaalsContact O-N 3.09Å; G286-Y289 PolarHBondContact O-N 3.13Å; Y289-K291 VanDerWaalsContact C-N 3.32Å; Y289-K291 PolarHBondContact O-N 2.96Å; Y289-E292 PolarHBondContact O-N 3.33Å; Y289-G293 PolarHBondContact O-N 2.89Å; Y289-G293 VanDerWaalsContact O-N 3.13Å; Y289-K294 HydrophobicContact CD1-CD 4.23Å; Y289-K294 PolarHBondContact O-N 3.25Å; Y289-A297 HydrophobicContact CD1-CB 4.46Å; Y289-A297 HydrophobicContact CD2-CB 4.13Å; Y289-A297 HydrophobicContact CE2-CB 4.42Å; Y289-A297 HydrophobicContact CG-CB 4.13Å; Y289-C301 VanDerWaalsContact CE2-SG 3.59Å
290F96.6Very high96Very high51 Ų5167.3 Ų67.322%0.22433%0.331CS..Hα-helixtrans-62.5-39.7175.2-172.5-84.8000111.8G286 N287 A288 E292 G293 Y295 A298 M321 A322 K325G286-F290 WeakPolarHBondContact O-CB 3.09Å; G286-F290 PolarHBondContact O-N 3.49Å; N287-F290 PolarHBondContact O-N 3.05Å; A288-F290 VanDerWaalsContact C-N 3.29Å; A288-F290 PolarHBondContact O-N 3.24Å; F290-E292 VanDerWaalsContact C-N 3.34Å; F290-G293 PolarHBondContact O-N 3.15Å; F290-Y295 AromaticContact CD2-CD1 3.65Å; F290-Y295 HydrophobicContact CD2-CD1 3.65Å; F290-Y295 AromaticContact CD2-CE1 3.86Å; F290-Y295 HydrophobicContact CD2-CE1 3.86Å; F290-Y295 HydrophobicContact CE1-CE1 4.42Å; F290-Y295 AromaticContact CE2-CD1 3.75Å; F290-Y295 HydrophobicContact CE2-CD1 3.75Å; F290-Y295 AromaticContact CE2-CE1 3.75Å; F290-Y295 HydrophobicContact CE2-CE1 3.75Å; F290-Y295 HydrophobicContact CG-CD1 4.32Å; F290-Y295 HydrophobicContact CG-CE1 4.24Å; F290-Y295 HydrophobicContact CZ-CD1 4.49Å; F290-Y295 HydrophobicContact CZ-CE1 4.04Å; F290-A298 HydrophobicContact CB-CB 4.26Å; F290-M321 HydrophobicContact CE2-CG 3.86Å; F290-M321 HydrophobicContact CZ-CG 3.6Å; F290-A322 HydrophobicContact CD2-CB 4.14Å; F290-A322 HydrophobicContact CE2-CB 4.21Å; F290-K325 HydrophobicContact CE2-CG 4.11Å; F290-K325 HydrophobicContact CZ-CG 4.01Å
291K95.6Very high96.1Very high183 Ų18364.7 Ų64.780%0.79632%0.315SS*.Hα-helixtrans-67.5-34.4174.7-72.4173.6-178.9179.70112.4N287 A288 Y289 G293N287-K291 WeakPolarHBondContact O-CG 3.44Å; N287-K291 PolarHBondContact O-N 3.39Å; N287-K291 VanDerWaalsContact O-N 3.08Å; A288-K291 WeakPolarHBondContact O-CB 3.47Å; A288-K291 PolarHBondContact O-N 3.2Å; A288-K291 VanDerWaalsContact O-N 3.12Å; Y289-K291 VanDerWaalsContact C-N 3.32Å; Y289-K291 PolarHBondContact O-N 2.96Å; K291-G293 PolarHBondContact O-N 2.82Å
292E95.4Very high96.2Very high111 Ų11158.9 Ų58.952%0.51929%0.287SS..THydrogen-bonded Turntrans-71.4-10.5173.1-68.3176.4-15600113.5A288 Y289 F290 K294A288-E292 PolarHBondContact O-N 2.73Å; Y289-E292 PolarHBondContact O-N 3.33Å; F290-E292 VanDerWaalsContact C-N 3.34Å; E292-K294 VanDerWaalsContact C-N 3.33Å; E292-K294 HydrophobicContact CB-CG 4.46Å; E292-K294 WeakPolarHBondContact OE2-CE 3.47Å; E292-K294 IonicContact OE2-NZ 3.15Å; E292-K294 PolarHBondContact OE2-NZ 3.3Å
293G93.8Very high96.2Very high33 Ų3359.3 Ų59.334%0.3429%0.292SS..THydrogen-bonded Turntrans81.17.5-176.200000114.5Y289 F290 K291 Y295Y289-G293 PolarHBondContact O-N 2.89Å; Y289-G293 VanDerWaalsContact O-N 3.13Å; F290-G293 PolarHBondContact O-N 3.15Å; K291-G293 PolarHBondContact O-N 2.82Å; G293-Y295 WeakPolarHBondContact O-CD2 3.39Å; G293-Y295 PolarHBondContact O-N 3.24Å
294K96.6Very high96.2Very high110 Ų11063.9 Ų63.948%0.47831%0.308SS..  trans-87.477.3175.9-64.6174.7-172.4152.80109.9Y289 E292 A297 A298Y289-K294 HydrophobicContact CD1-CD 4.23Å; Y289-K294 PolarHBondContact O-N 3.25Å; E292-K294 VanDerWaalsContact C-N 3.33Å; E292-K294 HydrophobicContact CB-CG 4.46Å; E292-K294 WeakPolarHBondContact OE2-CE 3.47Å; E292-K294 IonicContact OE2-NZ 3.15Å; E292-K294 PolarHBondContact OE2-NZ 3.3Å; K294-A297 HydrophobicContact CB-CB 4.29Å; K294-A298 PolarHBondContact O-N 2.87Å; K294-A298 VanDerWaalsContact O-N 3.16Å
295Y96.8Very high96.2Very high57 Ų5760.1 Ų60.122%0.22429%0.288CS..Hα-helixtrans-70.2-34.6-170.3-56.9-57.4000113.6F290 G293 A298 I299 K325 L326F290-Y295 AromaticContact CD2-CD1 3.65Å; F290-Y295 HydrophobicContact CD2-CD1 3.65Å; F290-Y295 AromaticContact CD2-CE1 3.86Å; F290-Y295 HydrophobicContact CD2-CE1 3.86Å; F290-Y295 HydrophobicContact CE1-CE1 4.42Å; F290-Y295 AromaticContact CE2-CD1 3.75Å; F290-Y295 HydrophobicContact CE2-CD1 3.75Å; F290-Y295 AromaticContact CE2-CE1 3.75Å; F290-Y295 HydrophobicContact CE2-CE1 3.75Å; F290-Y295 HydrophobicContact CG-CD1 4.32Å; F290-Y295 HydrophobicContact CG-CE1 4.24Å; F290-Y295 HydrophobicContact CZ-CD1 4.49Å; F290-Y295 HydrophobicContact CZ-CE1 4.04Å; G293-Y295 WeakPolarHBondContact O-CD2 3.39Å; G293-Y295 PolarHBondContact O-N 3.24Å; Y295-A298 WeakPolarHBondContact O-CB 3.38Å; Y295-A298 PolarHBondContact O-N 3.17Å; Y295-I299 WeakPolarHBondContact O-CD1 3.49Å; Y295-I299 VanDerWaalsContact O-CG1 3.3Å; Y295-I299 WeakPolarHBondContact O-CG1 3.48Å; Y295-I299 PolarHBondContact O-N 3.35Å; Y295-K325 HydrophobicContact CD1-CB 4.07Å; Y295-K325 HydrophobicContact CD1-CG 4.36Å; Y295-K325 HydrophobicContact CD2-CB 3.87Å; Y295-K325 HydrophobicContact CE1-CB 4.03Å; Y295-K325 HydrophobicContact CE1-CG 3.97Å; Y295-K325 HydrophobicContact CE2-CB 3.81Å; Y295-K325 HydrophobicContact CE2-CG 4.41Å; Y295-K325 HydrophobicContact CG-CB 4Å; Y295-L326 HydrophobicContact CD2-CD2 3.97Å; Y295-L326 HydrophobicContact CD2-CG 4.46Å; Y295-L326 HydrophobicContact CG-CD2 4.39Å; Y295-L326 HydrophobicContact CG-CG 4.48Å
296E96.3Very high96.2Very high108 Ų10856.3 Ų56.351%0.50528%0.276SS..Hα-helixtrans-63.9-47.2177.1-67.278.2-176.400111.5A298 I299 E300 L326E296-A298 VanDerWaalsContact C-N 3.26Å; E296-A298 PolarHBondContact O-N 2.91Å; E296-I299 WeakPolarHBondContact O-CB 2.95Å; E296-I299 PolarHBondContact O-N 3.34Å; E296-I299 VanDerWaalsContact O-N 3.13Å; E296-E300 PolarHBondContact O-N 2.93Å; E296-E300 VanDerWaalsContact O-N 3.13Å; E296-L326 HydrophobicContact CG-CD1 3.95Å; E296-L326 WeakPolarHBondContact OE1-CD1 3.42Å; E296-L326 WeakPolarHBondContact OE1-CD2 3.4Å
297A95.8Very high96.1Very high31 Ų3164.1 Ų64.126%0.25631%0.312SS..Hα-helixtrans-63.5-34.3175.900000111.9Y289 K294 E300 C301Y289-A297 HydrophobicContact CD1-CB 4.46Å; Y289-A297 HydrophobicContact CD2-CB 4.13Å; Y289-A297 HydrophobicContact CE2-CB 4.42Å; Y289-A297 HydrophobicContact CG-CB 4.13Å; K294-A297 HydrophobicContact CB-CB 4.29Å; A297-E300 PolarHBondContact O-N 3.23Å; A297-C301 PolarHBondContact O-N 3.37Å; A297-C301 PolarHBondContact O-SG 2.79Å
298A97.3Very high95.9Very high0 Ų062.5 Ų62.50%031%0.305CS..Hα-helixtrans-64.6-42173.500000111.7G286 F290 K294 Y295 E296 E300 C301 Y302G286-A298 WeakPolarHBondContact O-CB 3.02Å; F290-A298 HydrophobicContact CB-CB 4.26Å; K294-A298 PolarHBondContact O-N 2.87Å; K294-A298 VanDerWaalsContact O-N 3.16Å; Y295-A298 WeakPolarHBondContact O-CB 3.38Å; Y295-A298 PolarHBondContact O-N 3.17Å; E296-A298 VanDerWaalsContact C-N 3.26Å; E296-A298 PolarHBondContact O-N 2.91Å; A298-E300 VanDerWaalsContact C-N 3.33Å; A298-E300 PolarHBondContact O-N 2.98Å; A298-C301 PolarHBondContact O-N 2.95Å; A298-Y302 HydrophobicContact CB-CD2 4.46Å; A298-Y302 HydrophobicContact CB-CE2 3.94Å; A298-Y302 WeakPolarHBondContact O-CD2 3.37Å; A298-Y302 PolarHBondContact O-N 3.28Å
299I97.1Very high95.7Very high17 Ų1761.5 Ų61.59%0.08729%0.294CS..Hα-helixtrans-60.4-41.6177.1-71.2158.2000111.5Y295 E296 Y302 S303 R319 A322 F323 L326Y295-I299 WeakPolarHBondContact O-CD1 3.49Å; Y295-I299 VanDerWaalsContact O-CG1 3.3Å; Y295-I299 WeakPolarHBondContact O-CG1 3.48Å; Y295-I299 PolarHBondContact O-N 3.35Å; E296-I299 WeakPolarHBondContact O-CB 2.95Å; E296-I299 PolarHBondContact O-N 3.34Å; E296-I299 VanDerWaalsContact O-N 3.13Å; I299-Y302 PolarHBondContact O-N 3.37Å; I299-S303 WeakPolarHBondContact O-CB 3.35Å; I299-S303 PolarHBondContact O-N 3.01Å; I299-S303 PolarHBondContact O-OG 3.3Å; I299-R319 HydrophobicContact CB-CG 4.39Å; I299-R319 HydrophobicContact CG1-CG 4.17Å; I299-R319 HydrophobicContact CG2-CG 4.08Å; I299-A322 HydrophobicContact CD1-CB 4.05Å; I299-A322 HydrophobicContact CG1-CB 3.62Å; I299-F323 HydrophobicContact CD1-CD1 3.58Å; I299-F323 HydrophobicContact CD1-CE1 3.52Å; I299-F323 HydrophobicContact CD1-CG 4.36Å; I299-F323 HydrophobicContact CD1-CZ 4.28Å; I299-F323 HydrophobicContact CG1-CD1 4.34Å; I299-F323 HydrophobicContact CG1-CE1 4.11Å; I299-F323 HydrophobicContact CG1-CZ 4.39Å; I299-F323 HydrophobicContact CG2-CE1 3.95Å; I299-F323 HydrophobicContact CG2-CZ 3.74Å; I299-L326 HydrophobicContact CD1-CD1 3.58Å
300E96.6Very high95.3Very high118 Ų11861.3 Ų61.355%0.55131%0.309SS*.Hα-helixtrans-62.8-44.6175.8-69.3-177.6-175.600111.7E296 A297 A298 S303 R304E296-E300 PolarHBondContact O-N 2.93Å; E296-E300 VanDerWaalsContact O-N 3.13Å; A297-E300 PolarHBondContact O-N 3.23Å; A298-E300 VanDerWaalsContact C-N 3.33Å; A298-E300 PolarHBondContact O-N 2.98Å; E300-S303 PolarHBondContact O-N 3.43Å; E300-R304 WeakPolarHBondContact O-CG 3.38Å; E300-R304 PolarHBondContact O-N 3.41Å
301C96.6Very high94.9Very high8 Ų866.2 Ų66.25%0.05433%0.334CS..Hα-helixtrans-62.5-44.6177.3-64.50000111.4Q282 Y289 A297 A298 S303 R304 G305Q282-C301 WeakPolarHBondContact CB-O 3.37Å; Y289-C301 VanDerWaalsContact CE2-SG 3.59Å; A297-C301 PolarHBondContact O-N 3.37Å; A297-C301 PolarHBondContact O-SG 2.79Å; A298-C301 PolarHBondContact O-N 2.95Å; C301-S303 VanDerWaalsContact C-N 3.33Å; C301-S303 PolarHBondContact O-N 3.47Å; C301-R304 PolarHBondContact O-N 3.38Å; C301-G305 PolarHBondContact O-N 3.45Å
302Y97.3Very high94.7Very high2 Ų259 Ų591%0.00830%0.304CS..Hα-helixtrans-64.6-38.2177-62.6-47.8000112.4G286 N287 A298 I299 G305 M306 L315 N318 R319G286-Y302 PolarHBondContact O-OH 2.91Å; N287-Y302 WeakPolarHBondContact CA-OH 3.35Å; N287-Y302 PolarHBondContact N-OH 3.49Å; N287-Y302 PolarHBondContact OD1-OH 3.24Å; A298-Y302 HydrophobicContact CB-CD2 4.46Å; A298-Y302 HydrophobicContact CB-CE2 3.94Å; A298-Y302 WeakPolarHBondContact O-CD2 3.37Å; A298-Y302 PolarHBondContact O-N 3.28Å; I299-Y302 PolarHBondContact O-N 3.37Å; Y302-G305 PolarHBondContact O-N 3.11Å; Y302-M306 WeakPolarHBondContact O-CG 3.41Å; Y302-M306 PolarHBondContact O-N 3.31Å; Y302-L315 HydrophobicContact CD1-CD2 4.03Å; Y302-N318 HydrophobicContact CD1-CB 4.37Å; Y302-N318 HydrophobicContact CE1-CB 3.91Å; Y302-N318 HydrophobicContact CE2-CB 4.1Å; Y302-R319 HydrophobicContact CD2-CB 4.02Å; Y302-R319 HydrophobicContact CD2-CG 4.39Å; Y302-R319 HydrophobicContact CG-CB 4.26Å
303S96.6Very high94.6Very high28 Ų2854.8 Ų54.820%0.19629%0.286CS..Hα-helixtrans-62.6-45176.9-560000111.6I299 E300 C301 G305 M306 E307 R319I299-S303 WeakPolarHBondContact O-CB 3.35Å; I299-S303 PolarHBondContact O-N 3.01Å; I299-S303 PolarHBondContact O-OG 3.3Å; E300-S303 PolarHBondContact O-N 3.43Å; C301-S303 VanDerWaalsContact C-N 3.33Å; C301-S303 PolarHBondContact O-N 3.47Å; S303-G305 VanDerWaalsContact C-N 3.29Å; S303-G305 PolarHBondContact O-N 2.97Å; S303-M306 PolarHBondContact O-N 3.39Å; S303-M306 VanDerWaalsContact O-N 3.12Å; S303-E307 WeakPolarHBondContact O-CG 3.35Å; S303-E307 PolarHBondContact O-N 2.97Å; S303-R319 WeakPolarHBondContact OG-CD 3.1Å; S303-R319 PolarHBondContact OG-NH1 3.17Å
304R95.9Very high94.7Very high135 Ų13556.7 Ų56.751%0.50929%0.288SS..Hα-helixtrans-60.8-38.1172.5-69.6180-173.8177.15112.4Q282 E300 C301 M306 E307 A308Q282-R304 HydrophobicContact CG-CB 4.32Å; E300-R304 WeakPolarHBondContact O-CG 3.38Å; E300-R304 PolarHBondContact O-N 3.41Å; C301-R304 PolarHBondContact O-N 3.38Å; R304-M306 VanDerWaalsContact C-N 3.32Å; R304-M306 PolarHBondContact O-N 3.06Å; R304-E307 PolarHBondContact O-N 3.12Å; R304-A308 PolarHBondContact O-N 3.25Å
305G95.8Very high94.6Very high0 Ų051.4 Ų51.40%027%0.265CS..Hα-helixtrans-61.9-40174.200000112.6A279 C301 Y302 S303 A308 D309 L315A279-G305 WeakPolarHBondContact CB-O 3.28Å; C301-G305 PolarHBondContact O-N 3.45Å; Y302-G305 PolarHBondContact O-N 3.11Å; S303-G305 VanDerWaalsContact C-N 3.29Å; S303-G305 PolarHBondContact O-N 2.97Å; G305-A308 PolarHBondContact O-N 3.13Å; G305-D309 PolarHBondContact O-N 2.95Å; G305-L315 WeakPolarHBondContact O-CD1 3.45Å
306M94.6Very high94.6Very high47 Ų4748.9 Ų48.923%0.23226%0.256CS..Hα-helixtrans-71-31.8179.9-69.3174.562.600112.4Y302 S303 R304 A308 D309 G310 L315 P316Y302-M306 WeakPolarHBondContact O-CG 3.41Å; Y302-M306 PolarHBondContact O-N 3.31Å; S303-M306 PolarHBondContact O-N 3.39Å; S303-M306 VanDerWaalsContact O-N 3.12Å; R304-M306 VanDerWaalsContact C-N 3.32Å; R304-M306 PolarHBondContact O-N 3.06Å; M306-A308 VanDerWaalsContact C-N 3.29Å; M306-D309 CarbonylContact O-C 3.43Å; M306-G310 PolarHBondContact O-N 2.69Å; M306-L315 HydrophobicContact CG-CB 3.64Å; M306-L315 HydrophobicContact CG-CD1 4.15Å; M306-L315 HydrophobicContact CG-CG 4.49Å; M306-L315 HydrophobicContact SD-CB 4.49Å; M306-P316 HydrophobicContact CE-CB 3.94Å; M306-P316 HydrophobicContact CE-CG 4.5Å; M306-P316 HydrophobicContact SD-CB 4.1Å
307E93.8Very high94.6Very high163 Ų16343.7 Ų43.776%0.76223%0.232SC*.Hα-helixtrans-65-34.6172.1-70.7169.2-169.600111.7S303 R304S303-E307 WeakPolarHBondContact O-CG 3.35Å; S303-E307 PolarHBondContact O-N 2.97Å; R304-E307 PolarHBondContact O-N 3.12Å
308A92.8Very high94.6Very high10 Ų1043.5 Ų43.58%0.08323%0.226CC..Hα-helixtrans-76.4-47.117700000112.6R275 E278 A279 R304 G305 M306R275-A308 PolarHBondContact NH1-O 2.98Å; E278-A308 HydrophobicContact CB-CB 4.48Å; E278-A308 HydrophobicContact CG-CB 4.46Å; A279-A308 HydrophobicContact CB-CB 4.07Å; R304-A308 PolarHBondContact O-N 3.25Å; G305-A308 PolarHBondContact O-N 3.13Å; M306-A308 VanDerWaalsContact C-N 3.29Å
309D91.8Very high94.6Very high24 Ų2445.5 Ų45.513%0.12823%0.234CC..  trans-135.397.1178.2-175.212.3000112.2A279 G305 M306 M311A279-D309 HydrophobicContact CB-CB 3.47Å; A279-D309 VanDerWaalsContact CB-CB 3.47Å; G305-D309 PolarHBondContact O-N 2.95Å; M306-D309 CarbonylContact O-C 3.43Å; D309-M311 PolarHBondContact O-N 2.98Å; D309-M311 PolarHBondContact OD1-N 3.46Å
310G87.9Confident94.6Very high52 Ų5244.7 Ų44.754%0.53623%0.23SC..THydrogen-bonded Turntrans-73.7-8.7177.400000114.8M306M306-G310 PolarHBondContact O-N 2.69Å
311M88.8Confident94.6Very high154 Ų15441.5 Ų41.576%0.75922%0.215SC*.THydrogen-bonded Turntrans-91.5-7-178.7-61.7-62.6170.700112.8D309 V313 L342D309-M311 PolarHBondContact O-N 2.98Å; D309-M311 PolarHBondContact OD1-N 3.46Å; M311-V313 PolarHBondContact O-N 2.94Å; M311-L342 HydrophobicContact SD-CD2 4.49Å
312N91.9Very high94.6Very high30 Ų3041.1 Ų41.116%0.1621%0.213CC..  trans-83.7110.3-177.2-175.1-19.2000111.9L314 L315 P316N312-L314 VanDerWaalsContact C-N 3.27Å; N312-L314 PolarHBondContact O-N 3.47Å; N312-L314 WeakPolarHBondContact OD1-CB 3.33Å; N312-L314 PolarHBondContact OD1-N 3.3Å; N312-L315 HydrophobicContact CB-CD1 4.02Å; N312-L315 HydrophobicContact CB-CG 4.42Å; N312-P316 WeakPolarHBondContact O-CD 3.33Å
313V93.4Very high94.6Very high23 Ų2341.6 Ų41.614%0.13922%0.215CC..THydrogen-bonded Turntrans-60.6-31.9-180-178.60000113.2M311 L315 P316 A317 A339 L342 D343 Y346M311-V313 PolarHBondContact O-N 2.94Å; V313-L315 PolarHBondContact O-N 3.24Å; V313-P316 WeakPolarHBondContact O-CD 3.29Å; V313-P316 WeakPolarHBondContact O-CG 3.49Å; V313-A317 WeakPolarHBondContact O-CB 3.42Å; V313-A317 PolarHBondContact O-N 3.41Å; V313-A339 HydrophobicContact CG1-CB 4.24Å; V313-L342 HydrophobicContact CG2-CB 3.71Å; V313-D343 HydrophobicContact CB-CB 4.37Å; V313-D343 HydrophobicContact CG1-CB 4Å; V313-D343 HydrophobicContact CG2-CB 3.46Å; V313-D343 VanDerWaalsContact CG2-CB 3.46Å; V313-Y346 HydrophobicContact CG1-CD1 3.97Å; V313-Y346 HydrophobicContact CG1-CG 3.99Å
314L94.7Very high94.6Very high73 Ų7341.3 Ų41.338%0.38221%0.211SC..Hα-helixtrans-71.7-33.3-171.1-59.6175.8000112.4N312 N318 Y346N312-L314 VanDerWaalsContact C-N 3.27Å; N312-L314 PolarHBondContact O-N 3.47Å; N312-L314 WeakPolarHBondContact OD1-CB 3.33Å; N312-L314 PolarHBondContact OD1-N 3.3Å; L314-N318 VanDerWaalsContact O-CB 3.32Å; L314-N318 WeakPolarHBondContact O-CB 3.35Å; L314-N318 VanDerWaalsContact O-CG 3.23Å; L314-N318 PolarHBondContact O-N 3.2Å; L314-Y346 HydrophobicContact CD2-CE2 3.92Å
315L95.4Very high94.7Very high0 Ų040.1 Ų40.10%021%0.21CC..Hα-helixtrans-62-58.5-178.9-75171.1000113A279 K283 Y302 G305 M306 N312 V313 A317 N318 R319A279-L315 HydrophobicContact CB-CD1 4.28Å; K283-L315 HydrophobicContact CB-CD2 3.62Å; K283-L315 HydrophobicContact CG-CD2 4.03Å; Y302-L315 HydrophobicContact CD1-CD2 4.03Å; G305-L315 WeakPolarHBondContact O-CD1 3.45Å; M306-L315 HydrophobicContact CG-CB 3.64Å; M306-L315 HydrophobicContact CG-CD1 4.15Å; M306-L315 HydrophobicContact CG-CG 4.49Å; M306-L315 HydrophobicContact SD-CB 4.49Å; N312-L315 HydrophobicContact CB-CD1 4.02Å; N312-L315 HydrophobicContact CB-CG 4.42Å; V313-L315 PolarHBondContact O-N 3.24Å; L315-A317 VanDerWaalsContact C-N 3.27Å; L315-A317 PolarHBondContact O-N 3.36Å; L315-N318 PolarHBondContact O-N 2.93Å; L315-R319 PolarHBondContact O-N 3.32Å
316P96.7Very high94.7Very high3 Ų342.2 Ų42.22%0.01922%0.22CC..Hα-helixtrans-61.9-37.3177.323.8-32.5000111.2M306 N312 V313 N318 R319 A320 A339 L342M306-P316 HydrophobicContact CE-CB 3.94Å; M306-P316 HydrophobicContact CE-CG 4.5Å; M306-P316 HydrophobicContact SD-CB 4.1Å; N312-P316 WeakPolarHBondContact O-CD 3.33Å; V313-P316 WeakPolarHBondContact O-CD 3.29Å; V313-P316 WeakPolarHBondContact O-CG 3.49Å; P316-N318 PolarHBondContact O-N 3.28Å; P316-R319 PolarHBondContact O-N 2.83Å; P316-A320 WeakPolarHBondContact O-CB 3.44Å; P316-A320 PolarHBondContact O-N 3.38Å; P316-A339 HydrophobicContact CB-CB 4.42Å; P316-A339 HydrophobicContact CG-CB 4.05Å; P316-L342 HydrophobicContact CG-CD1 4.46Å
317A96.2Very high94.7Very high0 Ų045 Ų450%024%0.236CC..Hα-helixtrans-61.3-44.6176.400000112.6V313 L315 A320 M321 A339 Y346 R352V313-A317 WeakPolarHBondContact O-CB 3.42Å; V313-A317 PolarHBondContact O-N 3.41Å; L315-A317 VanDerWaalsContact C-N 3.27Å; L315-A317 PolarHBondContact O-N 3.36Å; A317-A320 WeakPolarHBondContact O-CB 3.5Å; A317-A320 PolarHBondContact O-N 3.18Å; A317-M321 PolarHBondContact O-N 2.75Å; A317-A339 HydrophobicContact CB-CB 4.26Å; A317-Y346 HydrophobicContact CB-CD1 4.35Å; A317-Y346 HydrophobicContact CB-CE1 3.54Å; A317-R352 PolarHBondContact O-NH1 2.67Å
318N96Very high94.8Very high27 Ų2742.1 Ų42.114%0.14422%0.218CC..Hα-helixtrans-71.2-35.4-179.6-73.9-5.2000112N287 Y302 L314 L315 P316 M321 A322 R352N287-N318 PolarHBondContact OD1-ND2 2.6Å; Y302-N318 HydrophobicContact CD1-CB 4.37Å; Y302-N318 HydrophobicContact CE1-CB 3.91Å; Y302-N318 HydrophobicContact CE2-CB 4.1Å; L314-N318 VanDerWaalsContact O-CB 3.32Å; L314-N318 WeakPolarHBondContact O-CB 3.35Å; L314-N318 VanDerWaalsContact O-CG 3.23Å; L314-N318 PolarHBondContact O-N 3.2Å; L315-N318 PolarHBondContact O-N 2.93Å; P316-N318 PolarHBondContact O-N 3.28Å; N318-M321 WeakPolarHBondContact O-CB 3.47Å; N318-M321 PolarHBondContact O-N 2.85Å; N318-A322 PolarHBondContact O-N 3.28Å; N318-A322 VanDerWaalsContact O-N 3.12Å; N318-R352 PolarHBondContact OD1-NH1 3.42Å; N318-R352 VanDerWaalsContact OD1-NH1 3.1Å
319R97Very high95.1Very high42 Ų4244.9 Ų44.916%0.15823%0.227CC..Hα-helixtrans-62.6-42.6170.9-163.4172.270.5178.4-2.1111.9I299 Y302 S303 L315 P316 M321 A322 F323 D335I299-R319 HydrophobicContact CB-CG 4.39Å; I299-R319 HydrophobicContact CG1-CG 4.17Å; I299-R319 HydrophobicContact CG2-CG 4.08Å; Y302-R319 HydrophobicContact CD2-CB 4.02Å; Y302-R319 HydrophobicContact CD2-CG 4.39Å; Y302-R319 HydrophobicContact CG-CB 4.26Å; S303-R319 WeakPolarHBondContact OG-CD 3.1Å; S303-R319 PolarHBondContact OG-NH1 3.17Å; L315-R319 PolarHBondContact O-N 3.32Å; P316-R319 PolarHBondContact O-N 2.83Å; R319-M321 VanDerWaalsContact C-N 3.27Å; R319-M321 PolarHBondContact O-N 2.61Å; R319-A322 WeakPolarHBondContact O-CA 3.4Å; R319-A322 WeakPolarHBondContact O-CB 3.23Å; R319-A322 PolarHBondContact O-N 3.1Å; R319-F323 HydrophobicContact CG-CD2 4.21Å; R319-F323 HydrophobicContact CG-CE2 3.73Å; R319-F323 HydrophobicContact CG-CZ 4.29Å; R319-F323 WeakPolarHBondContact O-CD2 3.32Å; R319-F323 PolarHBondContact O-N 3.19Å; R319-D335 WeakPolarHBondContact CB-OD2 3.28Å; R319-D335 WeakPolarHBondContact CG-OD2 3.49Å; R319-D335 IonicContact CZ-OD1 2.74Å; R319-D335 IonicContact CZ-OD2 3.94Å; R319-D335 IonicContact NE-OD1 4Å; R319-D335 IonicContact NE-OD2 3.11Å; R319-D335 PolarHBondContact NE-OD2 3.34Å; R319-D335 IonicContact NH2-OD1 3.47Å; R319-D335 PolarHBondContact NH2-OD1 3.42Å; R319-D335 IonicContact NH2-OD2 3.18Å; R319-D335 PolarHBondContact NH2-OD2 2.79Å
320A97Very high95.3Very high0 Ų050.8 Ų50.80%025%0.252CS..Hα-helixtrans-57.8-38.5173.100000112.8P316 A317 F323 L324 A332 D335 C336P316-A320 WeakPolarHBondContact O-CB 3.44Å; P316-A320 PolarHBondContact O-N 3.38Å; A317-A320 WeakPolarHBondContact O-CB 3.5Å; A317-A320 PolarHBondContact O-N 3.18Å; A320-F323 PolarHBondContact O-N 3.29Å; A320-L324 WeakPolarHBondContact O-CG 3.49Å; A320-L324 PolarHBondContact O-N 3.11Å; A320-A332 HydrophobicContact CB-CB 4.41Å; A320-D335 HydrophobicContact CB-CB 3.74Å; A320-C336 WeakPolarHBondContact CB-SG 3.49Å
321M96.6Very high95.7Very high51 Ų5151.4 Ų51.425%0.25124%0.241SC..Hα-helixtrans-66.1-38.1175179.357.872.300112.1F290 A317 N318 R319 L324 K325 R352F290-M321 HydrophobicContact CE2-CG 3.86Å; F290-M321 HydrophobicContact CZ-CG 3.6Å; A317-M321 PolarHBondContact O-N 2.75Å; N318-M321 WeakPolarHBondContact O-CB 3.47Å; N318-M321 PolarHBondContact O-N 2.85Å; R319-M321 VanDerWaalsContact C-N 3.27Å; R319-M321 PolarHBondContact O-N 2.61Å; M321-L324 WeakPolarHBondContact O-CB 3.14Å; M321-L324 PolarHBondContact O-N 3.35Å; M321-L324 HydrophobicContact SD-CD1 4.37Å; M321-K325 WeakPolarHBondContact O-CG 3.36Å; M321-K325 PolarHBondContact O-N 2.77Å; M321-K325 VanDerWaalsContact O-N 3.13Å; M321-R352 HydrophobicContact CE-CG 3.78Å
322A96.9Very high96.1Very high0 Ų044.1 Ų44.10%020%0.204CC..Hα-helixtrans-63.6-41.417300000111.6F290 I299 N318 R319 L324 K325 L326F290-A322 HydrophobicContact CD2-CB 4.14Å; F290-A322 HydrophobicContact CE2-CB 4.21Å; I299-A322 HydrophobicContact CD1-CB 4.05Å; I299-A322 HydrophobicContact CG1-CB 3.62Å; N318-A322 PolarHBondContact O-N 3.28Å; N318-A322 VanDerWaalsContact O-N 3.12Å; R319-A322 WeakPolarHBondContact O-CA 3.4Å; R319-A322 WeakPolarHBondContact O-CB 3.23Å; R319-A322 PolarHBondContact O-N 3.1Å; A322-L324 PolarHBondContact O-N 3.42Å; A322-K325 PolarHBondContact O-N 3.08Å; A322-K325 VanDerWaalsContact O-N 3.15Å; A322-L326 PolarHBondContact O-N 3.02Å
323F97.8Very high96.4Very high12 Ų1243.8 Ų43.85%0.05320%0.202CC..Hα-helixtrans-62.8-39.2173.2-72.7-48.9000113.3I299 R319 A320 K325 L326 D327 R328 E331 A332 D335I299-F323 HydrophobicContact CD1-CD1 3.58Å; I299-F323 HydrophobicContact CD1-CE1 3.52Å; I299-F323 HydrophobicContact CD1-CG 4.36Å; I299-F323 HydrophobicContact CD1-CZ 4.28Å; I299-F323 HydrophobicContact CG1-CD1 4.34Å; I299-F323 HydrophobicContact CG1-CE1 4.11Å; I299-F323 HydrophobicContact CG1-CZ 4.39Å; I299-F323 HydrophobicContact CG2-CE1 3.95Å; I299-F323 HydrophobicContact CG2-CZ 3.74Å; R319-F323 HydrophobicContact CG-CD2 4.21Å; R319-F323 HydrophobicContact CG-CE2 3.73Å; R319-F323 HydrophobicContact CG-CZ 4.29Å; R319-F323 WeakPolarHBondContact O-CD2 3.32Å; R319-F323 PolarHBondContact O-N 3.19Å; A320-F323 PolarHBondContact O-N 3.29Å; F323-K325 VanDerWaalsContact C-N 3.25Å; F323-K325 PolarHBondContact O-N 3.26Å; F323-L326 CarbonylContact O-C 3.32Å; F323-L326 PolarHBondContact O-N 2.89Å; F323-L326 VanDerWaalsContact O-N 3.12Å; F323-D327 PolarHBondContact O-N 3.29Å; F323-D327 VanDerWaalsContact O-N 3.15Å; F323-R328 HydrophobicContact CB-CB 4.14Å; F323-R328 HydrophobicContact CD1-CB 3.96Å; F323-R328 HydrophobicContact CG-CB 4.41Å; F323-R328 PolarHBondContact O-N 3.04Å; F323-E331 HydrophobicContact CD1-CB 4.41Å; F323-E331 HydrophobicContact CD2-CB 3.97Å; F323-E331 HydrophobicContact CE1-CB 4.45Å; F323-E331 HydrophobicContact CE2-CB 3.99Å; F323-E331 HydrophobicContact CG-CB 4.19Å; F323-E331 HydrophobicContact CZ-CB 4.25Å; F323-A332 HydrophobicContact CB-CB 3.86Å; F323-D335 VanDerWaalsContact CE2-OD2 3.3Å; F323-D335 WeakPolarHBondContact CE2-OD2 3.41Å
324L96.6Very high96.5Very high21 Ų2149 Ų4911%0.1123%0.225CC..Hα-helixtrans-60.4-34.7173.3-75177.4000112.4A320 M321 A322 L326 D327 Y329 A332 R352 A356A320-L324 WeakPolarHBondContact O-CG 3.49Å; A320-L324 PolarHBondContact O-N 3.11Å; M321-L324 WeakPolarHBondContact O-CB 3.14Å; M321-L324 PolarHBondContact O-N 3.35Å; M321-L324 HydrophobicContact SD-CD1 4.37Å; A322-L324 PolarHBondContact O-N 3.42Å; L324-L326 VanDerWaalsContact C-N 3.31Å; L324-D327 PolarHBondContact O-N 3.02Å; L324-Y329 HydrophobicContact CD2-CD1 3.82Å; L324-Y329 HydrophobicContact CD2-CE1 4.28Å; L324-A332 HydrophobicContact CD2-CB 3.98Å; L324-A332 HydrophobicContact CG-CB 4Å; L324-R352 HydrophobicContact CD1-CB 3.99Å; L324-R352 HydrophobicContact CD1-CG 4.19Å; L324-A356 HydrophobicContact CD2-CB 3.78Å
325K96.6Very high96.6Very high111 Ų11146.1 Ų46.148%0.48321%0.21SC..Hα-helixtrans-73.4-23.4176.3-68.3-63.1-177.9-176.70113.5F290 Y295 M321 A322 F323F290-K325 HydrophobicContact CE2-CG 4.11Å; F290-K325 HydrophobicContact CZ-CG 4.01Å; Y295-K325 HydrophobicContact CD1-CB 4.07Å; Y295-K325 HydrophobicContact CD1-CG 4.36Å; Y295-K325 HydrophobicContact CD2-CB 3.87Å; Y295-K325 HydrophobicContact CE1-CB 4.03Å; Y295-K325 HydrophobicContact CE1-CG 3.97Å; Y295-K325 HydrophobicContact CE2-CB 3.81Å; Y295-K325 HydrophobicContact CE2-CG 4.41Å; Y295-K325 HydrophobicContact CG-CB 4Å; M321-K325 WeakPolarHBondContact O-CG 3.36Å; M321-K325 PolarHBondContact O-N 2.77Å; M321-K325 VanDerWaalsContact O-N 3.13Å; A322-K325 PolarHBondContact O-N 3.08Å; A322-K325 VanDerWaalsContact O-N 3.15Å; F323-K325 VanDerWaalsContact C-N 3.25Å; F323-K325 PolarHBondContact O-N 3.26Å
326L95.8Very high96.7Very high43 Ų4346.1 Ų46.123%0.22521%0.21CC..THydrogen-bonded Turntrans-96.19.6175.5-64.7179.4000113Y295 E296 I299 A322 F323 L324 R328Y295-L326 HydrophobicContact CD2-CD2 3.97Å; Y295-L326 HydrophobicContact CD2-CG 4.46Å; Y295-L326 HydrophobicContact CG-CD2 4.39Å; Y295-L326 HydrophobicContact CG-CG 4.48Å; E296-L326 HydrophobicContact CG-CD1 3.95Å; E296-L326 WeakPolarHBondContact OE1-CD1 3.42Å; E296-L326 WeakPolarHBondContact OE1-CD2 3.4Å; I299-L326 HydrophobicContact CD1-CD1 3.58Å; A322-L326 PolarHBondContact O-N 3.02Å; F323-L326 CarbonylContact O-C 3.32Å; F323-L326 PolarHBondContact O-N 2.89Å; F323-L326 VanDerWaalsContact O-N 3.12Å; L324-L326 VanDerWaalsContact C-N 3.31Å; L326-R328 HydrophobicContact CB-CG 4.29Å; L326-R328 PolarHBondContact O-N 3.01Å; L326-R328 VanDerWaalsContact O-N 3.11Å
327D95.4Very high96.7Very high105 Ų10548.8 Ų48.856%0.56123%0.226SC*.THydrogen-bonded Turntrans5722.8-176.4-59.2-40.6000114.6F323 L324 Y329F323-D327 PolarHBondContact O-N 3.29Å; F323-D327 VanDerWaalsContact O-N 3.15Å; L324-D327 PolarHBondContact O-N 3.02Å; D327-Y329 VanDerWaalsContact C-N 3.31Å; D327-Y329 HydrophobicContact CB-CE1 4.41Å; D327-Y329 HydrophobicContact CB-CE2 3.94Å; D327-Y329 VanDerWaalsContact CG-OH 3.29Å; D327-Y329 VanDerWaalsContact O-CD2 3.32Å; D327-Y329 WeakPolarHBondContact O-CD2 3.19Å; D327-Y329 WeakPolarHBondContact O-CE2 3.45Å; D327-Y329 PolarHBondContact O-N 3.41Å; D327-Y329 VanDerWaalsContact O-N 3.13Å; D327-Y329 PolarHBondContact OD1-OH 2.93Å
328R96.8Very high96.7Very high104 Ų10450.5 Ų50.539%0.39224%0.241SC..  trans-88.866.6176.8-70.4173.367.3173.91.4110.4F323 L326 K330 E331 A332F323-R328 HydrophobicContact CB-CB 4.14Å; F323-R328 HydrophobicContact CD1-CB 3.96Å; F323-R328 HydrophobicContact CG-CB 4.41Å; F323-R328 PolarHBondContact O-N 3.04Å; L326-R328 HydrophobicContact CB-CG 4.29Å; L326-R328 PolarHBondContact O-N 3.01Å; L326-R328 VanDerWaalsContact O-N 3.11Å; R328-K330 PolarHBondContact O-N 3.41Å; R328-E331 IonicContact CZ-OE1 3.88Å; R328-E331 IonicContact CZ-OE2 2.73Å; R328-E331 IonicContact NE-OE1 2.75Å; R328-E331 IonicContact NE-OE2 3.69Å; R328-E331 PolarHBondContact NE-OE2 2.95Å; R328-E331 IonicContact NH2-OE1 3Å; R328-E331 PolarHBondContact NH2-OE1 3.41Å; R328-E331 IonicContact NH2-OE2 3.88Å; R328-E331 PolarHBondContact NH2-OE2 3.48Å; R328-A332 PolarHBondContact O-N 3.49Å
329Y97.2Very high96.7Very high67 Ų6749.2 Ų49.226%0.26323%0.234SC..Hα-helixtrans-67.3-29.2-168.7-52.1-61.7000115L324 D327 E333 A359L324-Y329 HydrophobicContact CD2-CD1 3.82Å; L324-Y329 HydrophobicContact CD2-CE1 4.28Å; D327-Y329 VanDerWaalsContact C-N 3.31Å; D327-Y329 HydrophobicContact CB-CE1 4.41Å; D327-Y329 HydrophobicContact CB-CE2 3.94Å; D327-Y329 VanDerWaalsContact CG-OH 3.29Å; D327-Y329 VanDerWaalsContact O-CD2 3.32Å; D327-Y329 WeakPolarHBondContact O-CD2 3.19Å; D327-Y329 WeakPolarHBondContact O-CE2 3.45Å; D327-Y329 PolarHBondContact O-N 3.41Å; D327-Y329 VanDerWaalsContact O-N 3.13Å; D327-Y329 PolarHBondContact OD1-OH 2.93Å; Y329-E333 PolarHBondContact O-N 3.12Å; Y329-A359 HydrophobicContact CD1-CB 3.54Å; Y329-A359 HydrophobicContact CD2-CB 3.58Å; Y329-A359 HydrophobicContact CE1-CB 3.54Å; Y329-A359 HydrophobicContact CE2-CB 3.56Å; Y329-A359 HydrophobicContact CG-CB 3.56Å
330K96.8Very high96.6Very high149 Ų14948.2 Ų48.265%0.64823%0.231SC*.Hα-helixtrans-65.2-49.5179.6-65.8-175.5180178.50111.8R328 A332 E333 E334 L360R328-K330 PolarHBondContact O-N 3.41Å; K330-A332 VanDerWaalsContact C-N 3.32Å; K330-A332 PolarHBondContact O-N 3.1Å; K330-E333 WeakPolarHBondContact O-CB 3.42Å; K330-E333 PolarHBondContact O-N 3.45Å; K330-E334 PolarHBondContact O-N 3.14Å; K330-L360 HydrophobicContact CG-CD1 4.42Å; K330-L360 HydrophobicContact CG-CD2 3.85Å
331E96.8Very high96.5Very high65 Ų6552.9 Ų52.930%0.30426%0.264SS..Hα-helixtrans-69.7-33.2179.4-66.8159.6136.900111.3F323 R328 E333 E334 D335F323-E331 HydrophobicContact CD1-CB 4.41Å; F323-E331 HydrophobicContact CD2-CB 3.97Å; F323-E331 HydrophobicContact CE1-CB 4.45Å; F323-E331 HydrophobicContact CE2-CB 3.99Å; F323-E331 HydrophobicContact CG-CB 4.19Å; F323-E331 HydrophobicContact CZ-CB 4.25Å; R328-E331 IonicContact CZ-OE1 3.88Å; R328-E331 IonicContact CZ-OE2 2.73Å; R328-E331 IonicContact NE-OE1 2.75Å; R328-E331 IonicContact NE-OE2 3.69Å; R328-E331 PolarHBondContact NE-OE2 2.95Å; R328-E331 IonicContact NH2-OE1 3Å; R328-E331 PolarHBondContact NH2-OE1 3.41Å; R328-E331 IonicContact NH2-OE2 3.88Å; R328-E331 PolarHBondContact NH2-OE2 3.48Å; E331-E333 VanDerWaalsContact C-N 3.31Å; E331-E333 PolarHBondContact O-N 3.45Å; E331-E334 PolarHBondContact O-N 3.15Å; E331-D335 PolarHBondContact O-N 3.24Å
332A97.6Very high96.4Very high0 Ų053.9 Ų53.90%027%0.27CS..Hα-helixtrans-61.3-38.2171.500000112.5A320 F323 L324 R328 K330 C336 A356A320-A332 HydrophobicContact CB-CB 4.41Å; F323-A332 HydrophobicContact CB-CB 3.86Å; L324-A332 HydrophobicContact CD2-CB 3.98Å; L324-A332 HydrophobicContact CG-CB 4Å; R328-A332 PolarHBondContact O-N 3.49Å; K330-A332 VanDerWaalsContact C-N 3.32Å; K330-A332 PolarHBondContact O-N 3.1Å; A332-C336 WeakPolarHBondContact O-CB 3.33Å; A332-C336 PolarHBondContact O-N 3.26Å; A332-C336 PolarHBondContact O-SG 3.01Å; A332-A356 HydrophobicContact CB-CB 4.16Å
333E97.1Very high96.2Very high24 Ų2456.3 Ų56.311%0.11228%0.283CS..Hα-helixtrans-65.5-42.7176.1-177-179.1-173.500111.7Y329 K330 E331 T337 R353 R357 L360 K362Y329-E333 PolarHBondContact O-N 3.12Å; K330-E333 WeakPolarHBondContact O-CB 3.42Å; K330-E333 PolarHBondContact O-N 3.45Å; E331-E333 VanDerWaalsContact C-N 3.31Å; E331-E333 PolarHBondContact O-N 3.45Å; E333-T337 WeakPolarHBondContact O-CB 3.34Å; E333-T337 PolarHBondContact O-N 2.92Å; E333-T337 PolarHBondContact O-OG1 2.94Å; E333-R353 HydrophobicContact CG-CG 4.08Å; E333-R357 HydrophobicContact CG-CG 4.33Å; E333-R357 IonicContact OE1-CZ 3.85Å; E333-R357 IonicContact OE1-NE 3.37Å; E333-R357 PolarHBondContact OE1-NE 2.89Å; E333-R357 IonicContact OE1-NH2 2.63Å; E333-R357 PolarHBondContact OE1-NH2 3.42Å; E333-L360 WeakPolarHBondContact OE2-CD1 3.46Å; E333-K362 VanDerWaalsContact CD-NZ 3.33Å; E333-K362 IonicContact OE1-NZ 3.11Å; E333-K362 PolarHBondContact OE1-NZ 3.48Å; E333-K362 VanDerWaalsContact OE1-NZ 3.11Å; E333-K362 IonicContact OE2-NZ 3.95Å; E333-K362 PolarHBondContact OE2-NZ 3.47Å
334E96.6Very high95.9Very high132 Ų13259.2 Ų59.262%0.61730%0.299SS*.Hα-helixtrans-62.8-49.5177.7-69.2171.3-17200111.2K330 E331 C336 T337 A338K330-E334 PolarHBondContact O-N 3.14Å; E331-E334 PolarHBondContact O-N 3.15Å; E334-C336 PolarHBondContact O-N 3.34Å; E334-T337 WeakPolarHBondContact O-CB 3.4Å; E334-T337 PolarHBondContact O-N 2.87Å; E334-T337 VanDerWaalsContact O-N 3.1Å; E334-A338 PolarHBondContact O-N 3.35Å
335D96.6Very high95.8Very high13 Ų1363 Ų637%0.0732%0.323CS..Hα-helixtrans-64.2-39.2178.9-86.9-4.4000112.7R319 A320 F323 E331 T337 A338 A339R319-D335 WeakPolarHBondContact CB-OD2 3.28Å; R319-D335 WeakPolarHBondContact CG-OD2 3.49Å; R319-D335 IonicContact CZ-OD1 2.74Å; R319-D335 IonicContact CZ-OD2 3.94Å; R319-D335 IonicContact NE-OD1 4Å; R319-D335 IonicContact NE-OD2 3.11Å; R319-D335 PolarHBondContact NE-OD2 3.34Å; R319-D335 IonicContact NH2-OD1 3.47Å; R319-D335 PolarHBondContact NH2-OD1 3.42Å; R319-D335 IonicContact NH2-OD2 3.18Å; R319-D335 PolarHBondContact NH2-OD2 2.79Å; A320-D335 HydrophobicContact CB-CB 3.74Å; F323-D335 VanDerWaalsContact CE2-OD2 3.3Å; F323-D335 WeakPolarHBondContact CE2-OD2 3.41Å; E331-D335 PolarHBondContact O-N 3.24Å; D335-T337 VanDerWaalsContact C-N 3.29Å; D335-T337 PolarHBondContact O-N 3.27Å; D335-A338 PolarHBondContact O-N 3.4Å; D335-A339 PolarHBondContact O-N 3.48Å
336C97Very high95.7Very high0 Ų059.5 Ų59.50%031%0.307CS..Hα-helixtrans-66.5-34.9174.1-67.40000111.6A320 A332 E334 A339 I340 R352 R353A320-C336 WeakPolarHBondContact CB-SG 3.49Å; A332-C336 WeakPolarHBondContact O-CB 3.33Å; A332-C336 PolarHBondContact O-N 3.26Å; A332-C336 PolarHBondContact O-SG 3.01Å; E334-C336 PolarHBondContact O-N 3.34Å; C336-A339 PolarHBondContact O-N 2.91Å; C336-I340 WeakPolarHBondContact O-CD1 3.44Å; C336-I340 VanDerWaalsContact O-CG1 3.24Å; C336-I340 WeakPolarHBondContact O-CG1 3.49Å; C336-I340 PolarHBondContact O-N 2.63Å; C336-R352 VanDerWaalsContact SG-CB 3.52Å; C336-R353 HydrophobicContact CB-CB 3.6Å; C336-R353 HydrophobicContact CB-CG 4.03Å
337T96.8Very high95.6Very high58 Ų5858.1 Ų58.136%0.35630%0.301SS..Hα-helixtrans-68.8-39176.2-59.20000111.2E333 E334 D335 I340 S341 R353E333-T337 WeakPolarHBondContact O-CB 3.34Å; E333-T337 PolarHBondContact O-N 2.92Å; E333-T337 PolarHBondContact O-OG1 2.94Å; E334-T337 WeakPolarHBondContact O-CB 3.4Å; E334-T337 PolarHBondContact O-N 2.87Å; E334-T337 VanDerWaalsContact O-N 3.1Å; D335-T337 VanDerWaalsContact C-N 3.29Å; D335-T337 PolarHBondContact O-N 3.27Å; T337-I340 PolarHBondContact O-N 3.1Å; T337-S341 PolarHBondContact O-N 3.4Å; T337-R353 WeakPolarHBondContact OG1-CD 3.5Å; T337-R353 PolarHBondContact OG1-NH1 3.29Å
338A95.7Very high95.5Very high37 Ų3757.2 Ų57.231%0.30629%0.292SS..Hα-helixtrans-60.4-46.1170.800000111.4E334 D335 I340 S341 L342E334-A338 PolarHBondContact O-N 3.35Å; D335-A338 PolarHBondContact O-N 3.4Å; A338-I340 PolarHBondContact O-N 2.88Å; A338-S341 PolarHBondContact O-N 2.97Å; A338-S341 PolarHBondContact O-OG 3.06Å; A338-L342 PolarHBondContact O-N 3.35Å
339A95.9Very high95.4Very high0 Ų052.3 Ų52.30%027%0.273CS..Hα-helixtrans-59.9-42.7176.600000112.5V313 P316 A317 D335 C336 S341 L342 D343 A349V313-A339 HydrophobicContact CG1-CB 4.24Å; P316-A339 HydrophobicContact CB-CB 4.42Å; P316-A339 HydrophobicContact CG-CB 4.05Å; A317-A339 HydrophobicContact CB-CB 4.26Å; D335-A339 PolarHBondContact O-N 3.48Å; C336-A339 PolarHBondContact O-N 2.91Å; A339-S341 VanDerWaalsContact C-N 3.34Å; A339-L342 PolarHBondContact O-N 3.4Å; A339-D343 PolarHBondContact O-N 3.3Å; A339-A349 HydrophobicContact CB-CB 4.07Å
340I95.6Very high95.4Very high20 Ų2049.4 Ų49.410%0.10326%0.262CS..Hα-helixtrans-68.3-33.7177.9-68.4161.5000111.6C336 T337 A338 L342 D343 D344 A349 F350C336-I340 WeakPolarHBondContact O-CD1 3.44Å; C336-I340 VanDerWaalsContact O-CG1 3.24Å; C336-I340 WeakPolarHBondContact O-CG1 3.49Å; C336-I340 PolarHBondContact O-N 2.63Å; T337-I340 PolarHBondContact O-N 3.1Å; A338-I340 PolarHBondContact O-N 2.88Å; I340-L342 PolarHBondContact O-N 3.1Å; I340-D343 CarbonylContact O-C 3.57Å; I340-D343 VanDerWaalsContact O-C 3.32Å; I340-D343 PolarHBondContact O-N 3.18Å; I340-D344 PolarHBondContact O-N 2.89Å; I340-A349 HydrophobicContact CD1-CB 4.18Å; I340-A349 HydrophobicContact CG1-CB 3.75Å; I340-F350 HydrophobicContact CB-CZ 4.49Å; I340-F350 HydrophobicContact CD1-CD1 3.81Å; I340-F350 HydrophobicContact CD1-CD2 4.37Å; I340-F350 HydrophobicContact CD1-CE1 3.72Å; I340-F350 HydrophobicContact CD1-CE2 4.29Å; I340-F350 HydrophobicContact CD1-CG 4.14Å; I340-F350 HydrophobicContact CD1-CZ 3.96Å; I340-F350 HydrophobicContact CG1-CD2 4.41Å; I340-F350 HydrophobicContact CG1-CE1 4.25Å; I340-F350 HydrophobicContact CG1-CE2 4.05Å; I340-F350 HydrophobicContact CG1-CZ 3.96Å; I340-F350 HydrophobicContact CG2-CE1 4.17Å; I340-F350 HydrophobicContact CG2-CE2 4.37Å; I340-F350 HydrophobicContact CG2-CZ 3.68Å
341S95.2Very high95.3Very high98 Ų9842.8 Ų42.869%0.68524%0.235SC*.Hα-helixtrans-66.5-27.3175.375.30000113T337 A338 A339T337-S341 PolarHBondContact O-N 3.4Å; A338-S341 PolarHBondContact O-N 2.97Å; A338-S341 PolarHBondContact O-OG 3.06Å; A339-S341 VanDerWaalsContact C-N 3.34Å
342L94.1Very high95.3Very high72 Ų7241.2 Ų41.238%0.37723%0.227SC..Hα-helixtrans-81.5-44173.5-65.7173.1000111.5M311 V313 P316 A338 A339 I340M311-L342 HydrophobicContact SD-CD2 4.49Å; V313-L342 HydrophobicContact CG2-CB 3.71Å; P316-L342 HydrophobicContact CG-CD1 4.46Å; A338-L342 PolarHBondContact O-N 3.35Å; A339-L342 PolarHBondContact O-N 3.4Å; I340-L342 PolarHBondContact O-N 3.1Å
343D92.5Very high95.3Very high51 Ų5142.5 Ų42.527%0.27323%0.232SC..  trans-145.6107.2179-179.812.2000112.4V313 A339 I340 T345 Y346V313-D343 HydrophobicContact CB-CB 4.37Å; V313-D343 HydrophobicContact CG1-CB 4Å; V313-D343 HydrophobicContact CG2-CB 3.46Å; V313-D343 VanDerWaalsContact CG2-CB 3.46Å; A339-D343 PolarHBondContact O-N 3.3Å; I340-D343 CarbonylContact O-C 3.57Å; I340-D343 VanDerWaalsContact O-C 3.32Å; I340-D343 PolarHBondContact O-N 3.18Å; D343-T345 VanDerWaalsContact CG-OG1 3.32Å; D343-T345 PolarHBondContact O-N 3.34Å; D343-T345 WeakPolarHBondContact OD1-CA 3.25Å; D343-T345 WeakPolarHBondContact OD1-CB 3.43Å; D343-T345 PolarHBondContact OD1-N 3.1Å; D343-T345 PolarHBondContact OD1-OG1 3.41Å; D343-T345 PolarHBondContact OD2-OG1 3.34Å; D343-Y346 PolarHBondContact O-N 3.28Å
344D92.5Very high95.2Very high74 Ų7441.4 Ų41.440%0.39623%0.226SC..THydrogen-bonded Turntrans-73.1-9.8176.6-174.561.7000113.2I340 F350 R372I340-D344 PolarHBondContact O-N 2.89Å; D344-F350 WeakPolarHBondContact O-CE2 3.36Å; D344-F350 WeakPolarHBondContact OD1-CZ 3.43Å; D344-R372 IonicContact OD2-CZ 3.56Å; D344-R372 IonicContact OD2-NE 2.78Å; D344-R372 IonicContact OD2-NH2 3.51Å; D344-R372 PolarHBondContact OD2-NH2 3.1Å
345T93.4Very high95.1Very high99 Ų9937.5 Ų37.561%0.60721%0.211SC*.THydrogen-bonded Turntrans-88.4-9.6177.773.50000112.9D343 S347D343-T345 VanDerWaalsContact CG-OG1 3.32Å; D343-T345 PolarHBondContact O-N 3.34Å; D343-T345 WeakPolarHBondContact OD1-CA 3.25Å; D343-T345 WeakPolarHBondContact OD1-CB 3.43Å; D343-T345 PolarHBondContact OD1-N 3.1Å; D343-T345 PolarHBondContact OD1-OG1 3.41Å; D343-T345 PolarHBondContact OD2-OG1 3.34Å; T345-S347 PolarHBondContact O-N 2.89Å
346Y94.3Very high95.2Very high39 Ų3936.9 Ų36.915%0.15321%0.208CC..  trans-78.291.2-175.7-170.1-114.5000112.7V313 L314 A317 D343 K348 A349V313-Y346 HydrophobicContact CG1-CD1 3.97Å; V313-Y346 HydrophobicContact CG1-CG 3.99Å; L314-Y346 HydrophobicContact CD2-CE2 3.92Å; A317-Y346 HydrophobicContact CB-CD1 4.35Å; A317-Y346 HydrophobicContact CB-CE1 3.54Å; D343-Y346 PolarHBondContact O-N 3.28Å; Y346-K348 VanDerWaalsContact C-N 3.33Å; Y346-K348 HydrophobicContact CD1-CB 4.47Å; Y346-K348 HydrophobicContact CE1-CB 3.77Å; Y346-K348 HydrophobicContact CE2-CB 4.33Å; Y346-K348 PolarHBondContact O-N 3.29Å; Y346-A349 HydrophobicContact CD1-CB 3.6Å; Y346-A349 HydrophobicContact CE1-CB 4.18Å; Y346-A349 PolarHBondContact O-N 3.3Å; Y346-A349 VanDerWaalsContact O-N 3.15Å
347S93.3Very high95.1Very high13 Ų1338.4 Ų38.49%0.09121%0.214CC..Hα-helixtrans-51.4-43.3-177.461.80000114.2T345 A349 F350 A351 L373 E377T345-S347 PolarHBondContact O-N 2.89Å; S347-A349 VanDerWaalsContact C-N 3.26Å; S347-A349 PolarHBondContact O-N 3.35Å; S347-F350 PolarHBondContact O-N 2.85Å; S347-F350 VanDerWaalsContact O-N 3.13Å; S347-A351 PolarHBondContact O-N 3.23Å; S347-L373 WeakPolarHBondContact O-CD1 3.45Å; S347-E377 VanDerWaalsContact CB-OE1 3.25Å; S347-E377 WeakPolarHBondContact CB-OE1 3.38Å; S347-E377 VanDerWaalsContact OG-CD 3.31Å; S347-E377 PolarHBondContact OG-OE1 2.87Å
348K93.9Very high95Very high87 Ų8737.5 Ų37.538%0.37821%0.207SC..Hα-helixtrans-62.2-30-177.3-66.2-176.2-178.1-175.50112.6Y346 A351 R352 E473Y346-K348 VanDerWaalsContact C-N 3.33Å; Y346-K348 HydrophobicContact CD1-CB 4.47Å; Y346-K348 HydrophobicContact CE1-CB 3.77Å; Y346-K348 HydrophobicContact CE2-CB 4.33Å; Y346-K348 PolarHBondContact O-N 3.29Å; K348-A351 PolarHBondContact O-N 2.89Å; K348-R352 WeakPolarHBondContact O-CB 3.42Å; K348-R352 WeakPolarHBondContact O-CG 3.47Å; K348-R352 PolarHBondContact O-N 2.9Å; K348-E473 IonicContact NZ-OE1 2.91Å
349A95.7Very high94.9Very high0 Ų038.1 Ų38.10%021%0.212CC..Hα-helixtrans-68.1-40.3175.900000112.1A339 I340 Y346 S347 A351 R352 R353A339-A349 HydrophobicContact CB-CB 4.07Å; I340-A349 HydrophobicContact CD1-CB 4.18Å; I340-A349 HydrophobicContact CG1-CB 3.75Å; Y346-A349 HydrophobicContact CD1-CB 3.6Å; Y346-A349 HydrophobicContact CE1-CB 4.18Å; Y346-A349 PolarHBondContact O-N 3.3Å; Y346-A349 VanDerWaalsContact O-N 3.15Å; S347-A349 VanDerWaalsContact C-N 3.26Å; S347-A349 PolarHBondContact O-N 3.35Å; A349-A351 PolarHBondContact O-N 3.37Å; A349-R352 PolarHBondContact O-N 3.39Å; A349-R353 WeakPolarHBondContact O-CB 3.5Å; A349-R353 PolarHBondContact O-N 3.13Å
350F96.4Very high94.9Very high6 Ų640.8 Ų40.83%0.02623%0.226CC..Hα-helixtrans-62.6-42.1173.4-69.5-79.9000112.1I340 D344 S347 R352 R353 G354 R372 L373 L376I340-F350 HydrophobicContact CB-CZ 4.49Å; I340-F350 HydrophobicContact CD1-CD1 3.81Å; I340-F350 HydrophobicContact CD1-CD2 4.37Å; I340-F350 HydrophobicContact CD1-CE1 3.72Å; I340-F350 HydrophobicContact CD1-CE2 4.29Å; I340-F350 HydrophobicContact CD1-CG 4.14Å; I340-F350 HydrophobicContact CD1-CZ 3.96Å; I340-F350 HydrophobicContact CG1-CD2 4.41Å; I340-F350 HydrophobicContact CG1-CE1 4.25Å; I340-F350 HydrophobicContact CG1-CE2 4.05Å; I340-F350 HydrophobicContact CG1-CZ 3.96Å; I340-F350 HydrophobicContact CG2-CE1 4.17Å; I340-F350 HydrophobicContact CG2-CE2 4.37Å; I340-F350 HydrophobicContact CG2-CZ 3.68Å; D344-F350 WeakPolarHBondContact O-CE2 3.36Å; D344-F350 WeakPolarHBondContact OD1-CZ 3.43Å; S347-F350 PolarHBondContact O-N 2.85Å; S347-F350 VanDerWaalsContact O-N 3.13Å; F350-R352 PolarHBondContact O-N 3.36Å; F350-R353 PolarHBondContact O-N 3.02Å; F350-G354 PolarHBondContact O-N 3.29Å; F350-R372 HydrophobicContact CD1-CB 4.14Å; F350-R372 HydrophobicContact CD1-CG 3.96Å; F350-R372 HydrophobicContact CE1-CB 4.21Å; F350-R372 HydrophobicContact CE1-CG 3.63Å; F350-R372 HydrophobicContact CE2-CG 4.22Å; F350-R372 HydrophobicContact CG-CG 4.39Å; F350-R372 HydrophobicContact CZ-CG 3.77Å; F350-L373 HydrophobicContact CB-CB 4.21Å; F350-L376 HydrophobicContact CD2-CD1 3.94Å; F350-L376 HydrophobicContact CE2-CD1 3.93Å
351A95.4Very high94.7Very high11 Ų1142.3 Ų42.39%0.09125%0.247CC..Hα-helixtrans-60.4-44.9176.800000112.1S347 K348 A349 T355 L373S347-A351 PolarHBondContact O-N 3.23Å; K348-A351 PolarHBondContact O-N 2.89Å; A349-A351 PolarHBondContact O-N 3.37Å; A351-T355 PolarHBondContact O-N 3.04Å; A351-T355 VanDerWaalsContact O-N 3.08Å; A351-T355 PolarHBondContact O-OG1 3.45Å; A351-L373 HydrophobicContact CB-CD2 3.61Å
352R96.2Very high94.6Very high32 Ų3241.5 Ų41.512%0.12123%0.231CC..Hα-helixtrans-67.7-45.2179.4-70.7170.7-172.2-177.4-0.1111.2A317 N318 M321 L324 C336 K348 A349 F350 T355 A356A317-R352 PolarHBondContact O-NH1 2.67Å; N318-R352 PolarHBondContact OD1-NH1 3.42Å; N318-R352 VanDerWaalsContact OD1-NH1 3.1Å; M321-R352 HydrophobicContact CE-CG 3.78Å; L324-R352 HydrophobicContact CD1-CB 3.99Å; L324-R352 HydrophobicContact CD1-CG 4.19Å; C336-R352 VanDerWaalsContact SG-CB 3.52Å; K348-R352 WeakPolarHBondContact O-CB 3.42Å; K348-R352 WeakPolarHBondContact O-CG 3.47Å; K348-R352 PolarHBondContact O-N 2.9Å; A349-R352 PolarHBondContact O-N 3.39Å; F350-R352 PolarHBondContact O-N 3.36Å; R352-T355 PolarHBondContact O-N 2.94Å; R352-A356 PolarHBondContact O-N 2.96Å
353R96.9Very high94.6Very high27 Ų2741.1 Ų41.110%0.10223%0.229CC..Hα-helixtrans-63.4-44.5176.7-163.116966.4-173.3-4112.4E333 C336 T337 A349 F350 T355 A356 R357 D369E333-R353 HydrophobicContact CG-CG 4.08Å; C336-R353 HydrophobicContact CB-CB 3.6Å; C336-R353 HydrophobicContact CB-CG 4.03Å; T337-R353 WeakPolarHBondContact OG1-CD 3.5Å; T337-R353 PolarHBondContact OG1-NH1 3.29Å; A349-R353 WeakPolarHBondContact O-CB 3.5Å; A349-R353 PolarHBondContact O-N 3.13Å; F350-R353 PolarHBondContact O-N 3.02Å; R353-T355 VanDerWaalsContact C-N 3.3Å; R353-T355 PolarHBondContact O-N 2.77Å; R353-A356 WeakPolarHBondContact O-CB 3.24Å; R353-A356 PolarHBondContact O-N 3.31Å; R353-R357 HydrophobicContact CG-CG 4.48Å; R353-R357 WeakPolarHBondContact O-CB 3.35Å; R353-R357 WeakPolarHBondContact O-CG 3.4Å; R353-R357 PolarHBondContact O-N 3.3Å; R353-D369 IonicContact CZ-OD1 2.69Å; R353-D369 IonicContact CZ-OD2 3.31Å; R353-D369 IonicContact NE-OD1 2.7Å; R353-D369 PolarHBondContact NE-OD1 3.46Å; R353-D369 IonicContact NE-OD2 2.77Å; R353-D369 PolarHBondContact NE-OD2 3.05Å; R353-D369 IonicContact NH2-OD1 3.54Å; R353-D369 PolarHBondContact NH2-OD1 2.7Å; R353-D369 IonicContact NH2-OD2 3.02Å
354G95.3Very high94.5Very high0 Ų044 Ų440%024%0.241CC..Hα-helixtrans-57.6-44.917500000111.3F350 R357 L358F350-G354 PolarHBondContact O-N 3.29Å; G354-R357 PolarHBondContact O-N 2.93Å; G354-L358 WeakPolarHBondContact O-CG 3.41Å; G354-L358 PolarHBondContact O-N 3.26Å
355T95.4Very high94.6Very high50 Ų5044 Ų4431%0.30724%0.238SC..Hα-helixtrans-62.6-43.7175.8-53.20000112.2A351 R352 R353 L358 A359A351-T355 PolarHBondContact O-N 3.04Å; A351-T355 VanDerWaalsContact O-N 3.08Å; A351-T355 PolarHBondContact O-OG1 3.45Å; R352-T355 PolarHBondContact O-N 2.94Å; R353-T355 VanDerWaalsContact C-N 3.3Å; R353-T355 PolarHBondContact O-N 2.77Å; T355-L358 PolarHBondContact O-N 2.94Å; T355-A359 PolarHBondContact O-N 3.49Å; T355-A359 VanDerWaalsContact O-N 3.16Å
356A97Very high94.7Very high0 Ų039.3 Ų39.30%021%0.209CC..Hα-helixtrans-60.6-45.2175.500000111.7L324 A332 R352 R353 L358 A359 L360L324-A356 HydrophobicContact CD2-CB 3.78Å; A332-A356 HydrophobicContact CB-CB 4.16Å; R352-A356 PolarHBondContact O-N 2.96Å; R353-A356 WeakPolarHBondContact O-CB 3.24Å; R353-A356 PolarHBondContact O-N 3.31Å; A356-L358 PolarHBondContact O-N 3.38Å; A356-A359 PolarHBondContact O-N 3.16Å; A356-L360 WeakPolarHBondContact O-CG 3.32Å; A356-L360 PolarHBondContact O-N 2.88Å
357R96.5Very high94.7Very high33 Ų3338.9 Ų38.913%0.12521%0.208CC..Hα-helixtrans-66.3-35.8179-76.6174.3169.6179.6-12.7113E333 R353 G354 L360 G361 K362 E365 A366 D369E333-R357 HydrophobicContact CG-CG 4.33Å; E333-R357 IonicContact OE1-CZ 3.85Å; E333-R357 IonicContact OE1-NE 3.37Å; E333-R357 PolarHBondContact OE1-NE 2.89Å; E333-R357 IonicContact OE1-NH2 2.63Å; E333-R357 PolarHBondContact OE1-NH2 3.42Å; R353-R357 HydrophobicContact CG-CG 4.48Å; R353-R357 WeakPolarHBondContact O-CB 3.35Å; R353-R357 WeakPolarHBondContact O-CG 3.4Å; R353-R357 PolarHBondContact O-N 3.3Å; G354-R357 PolarHBondContact O-N 2.93Å; R357-L360 CarbonylContact O-C 3.42Å; R357-L360 PolarHBondContact O-N 2.94Å; R357-G361 PolarHBondContact O-N 3.25Å; R357-K362 HydrophobicContact CB-CB 4.18Å; R357-K362 HydrophobicContact CG-CB 4.47Å; R357-K362 PolarHBondContact O-N 3.27Å; R357-E365 IonicContact CZ-OE2 2.87Å; R357-E365 IonicContact NE-OE2 2.63Å; R357-E365 PolarHBondContact NE-OE2 3.33Å; R357-E365 IonicContact NH2-OE2 3.25Å; R357-A366 HydrophobicContact CB-CB 3.99Å; R357-D369 WeakPolarHBondContact CD-OD2 3.39Å; R357-D369 IonicContact CZ-OD2 3.39Å; R357-D369 IonicContact NE-OD2 3.98Å; R357-D369 IonicContact NH1-OD1 2.67Å; R357-D369 PolarHBondContact NH1-OD1 3.06Å; R357-D369 IonicContact NH1-OD2 3.36Å; R357-D369 PolarHBondContact NH1-OD2 2.78Å
358L94.6Very high94.7Very high38 Ų3843.8 Ų43.820%0.19923%0.23CC..Hα-helixtrans-59.6-47170.9-73.1-172.4000111.5G354 T355 A356 L360 G361 L363 A366 F370 L390G354-L358 WeakPolarHBondContact O-CG 3.41Å; G354-L358 PolarHBondContact O-N 3.26Å; T355-L358 PolarHBondContact O-N 2.94Å; A356-L358 PolarHBondContact O-N 3.38Å; L358-L360 PolarHBondContact O-N 3.07Å; L358-G361 PolarHBondContact O-N 3.44Å; L358-L363 HydrophobicContact CD2-CD2 3.86Å; L358-A366 HydrophobicContact CD2-CB 3.5Å; L358-A366 HydrophobicContact CG-CB 3.89Å; L358-F370 HydrophobicContact CD1-CE2 3.78Å; L358-F370 HydrophobicContact CD1-CZ 4Å; L358-F370 HydrophobicContact CG-CE2 4.07Å; L358-L390 HydrophobicContact CD2-CD1 3.79Å; L358-L390 HydrophobicContact CD2-CD2 3.46Å; L358-L390 VanDerWaalsContact CD2-CD2 3.46Å; L358-L390 HydrophobicContact CD2-CG 4.12Å
359A93.8Very high94.8Very high51 Ų5140 Ų4042%0.42121%0.213SC..Hα-helixtrans-65.4-29.8178.100000112.6Y329 T355 A356 G361Y329-A359 HydrophobicContact CD1-CB 3.54Å; Y329-A359 HydrophobicContact CD2-CB 3.58Å; Y329-A359 HydrophobicContact CE1-CB 3.54Å; Y329-A359 HydrophobicContact CE2-CB 3.56Å; Y329-A359 HydrophobicContact CG-CB 3.56Å; T355-A359 PolarHBondContact O-N 3.49Å; T355-A359 VanDerWaalsContact O-N 3.16Å; A356-A359 PolarHBondContact O-N 3.16Å; A359-G361 VanDerWaalsContact C-N 3.31Å
360L94.2Very high94.8Very high56 Ų5640 Ų4029%0.29321%0.213SC..THydrogen-bonded Turntrans-79.8-5.8172.5-67.7171.3000114.2K330 E333 A356 R357 L358 K362K330-L360 HydrophobicContact CG-CD1 4.42Å; K330-L360 HydrophobicContact CG-CD2 3.85Å; E333-L360 WeakPolarHBondContact OE2-CD1 3.46Å; A356-L360 WeakPolarHBondContact O-CG 3.32Å; A356-L360 PolarHBondContact O-N 2.88Å; R357-L360 CarbonylContact O-C 3.42Å; R357-L360 PolarHBondContact O-N 2.94Å; L358-L360 PolarHBondContact O-N 3.07Å; L360-K362 VanDerWaalsContact C-N 3.34Å; L360-K362 HydrophobicContact CB-CG 4.32Å
361G91.6Very high94.7Very high52 Ų5246 Ų4654%0.53624%0.236SC..THydrogen-bonded Turntrans79.18.8-177.600000115.1R357 L358 A359 L363R357-G361 PolarHBondContact O-N 3.25Å; L358-G361 PolarHBondContact O-N 3.44Å; A359-G361 VanDerWaalsContact C-N 3.31Å; G361-L363 VanDerWaalsContact C-N 3.26Å; G361-L363 PolarHBondContact O-N 3.44Å
362K94.1Very high94.7Very high80 Ų8049.6 Ų49.635%0.34825%0.247SC..  trans-82.766.9177.3-56.8-171.2-166.5166.30111.1E333 R357 L360 Q364 E365 A366E333-K362 VanDerWaalsContact CD-NZ 3.33Å; E333-K362 IonicContact OE1-NZ 3.11Å; E333-K362 PolarHBondContact OE1-NZ 3.48Å; E333-K362 VanDerWaalsContact OE1-NZ 3.11Å; E333-K362 IonicContact OE2-NZ 3.95Å; E333-K362 PolarHBondContact OE2-NZ 3.47Å; R357-K362 HydrophobicContact CB-CB 4.18Å; R357-K362 HydrophobicContact CG-CB 4.47Å; R357-K362 PolarHBondContact O-N 3.27Å; L360-K362 VanDerWaalsContact C-N 3.34Å; L360-K362 HydrophobicContact CB-CG 4.32Å; K362-Q364 PolarHBondContact O-N 3Å; K362-E365 HydrophobicContact CB-CB 4.47Å; K362-E365 WeakPolarHBondContact CD-OE2 3.47Å; K362-E365 IonicContact NZ-OE2 3.69Å; K362-E365 PolarHBondContact O-N 3.37Å; K362-A366 WeakPolarHBondContact O-CB 3.37Å; K362-A366 PolarHBondContact O-N 2.85Å; K362-A366 VanDerWaalsContact O-N 3.1Å
363L93.3Very high94.6Very high65 Ų6548.1 Ų48.134%0.3424%0.242SC..Hα-helixtrans-62.9-35.9-169.3-58.6179000114L358 G361 K367 L390L358-L363 HydrophobicContact CD2-CD2 3.86Å; G361-L363 VanDerWaalsContact C-N 3.26Å; G361-L363 PolarHBondContact O-N 3.44Å; L363-K367 WeakPolarHBondContact O-CG 3.34Å; L363-K367 PolarHBondContact O-N 2.98Å; L363-K367 VanDerWaalsContact O-N 3.08Å; L363-L390 HydrophobicContact CD2-CD2 3.73Å
364Q91.1Very high94.5Very high112 Ų11248.5 Ų48.552%0.52325%0.246SC..Hα-helixtrans-70.7-46.3-177.8-62.1-59.9-18.400111.8K362 A366 K367 E368K362-Q364 PolarHBondContact O-N 3Å; Q364-A366 VanDerWaalsContact C-N 3.31Å; Q364-A366 PolarHBondContact O-N 2.92Å; Q364-K367 WeakPolarHBondContact O-CB 3.43Å; Q364-K367 PolarHBondContact O-N 3.17Å; Q364-K367 VanDerWaalsContact O-N 3.15Å; Q364-E368 PolarHBondContact O-N 2.88Å
365E94.4Very high94.4Very high73 Ų7354.7 Ų54.734%0.34128%0.275SS..Hα-helixtrans-63.9-37.5176.5-62.3173-177.100111.5R357 K362 K367 E368 D369R357-E365 IonicContact CZ-OE2 2.87Å; R357-E365 IonicContact NE-OE2 2.63Å; R357-E365 PolarHBondContact NE-OE2 3.33Å; R357-E365 IonicContact NH2-OE2 3.25Å; K362-E365 HydrophobicContact CB-CB 4.47Å; K362-E365 WeakPolarHBondContact CD-OE2 3.47Å; K362-E365 IonicContact NZ-OE2 3.69Å; K362-E365 PolarHBondContact O-N 3.37Å; E365-K367 PolarHBondContact O-N 3.42Å; E365-E368 WeakPolarHBondContact O-CB 3.36Å; E365-E368 PolarHBondContact O-N 3.33Å; E365-D369 PolarHBondContact O-N 2.69Å
366A95.3Very high94.2Very high0 Ų055 Ų550%027%0.274CS..Hα-helixtrans-63.2-39.9173.800000112.2R357 L358 K362 Q364 E368 D369 F370R357-A366 HydrophobicContact CB-CB 3.99Å; L358-A366 HydrophobicContact CD2-CB 3.5Å; L358-A366 HydrophobicContact CG-CB 3.89Å; K362-A366 WeakPolarHBondContact O-CB 3.37Å; K362-A366 PolarHBondContact O-N 2.85Å; K362-A366 VanDerWaalsContact O-N 3.1Å; Q364-A366 VanDerWaalsContact C-N 3.31Å; Q364-A366 PolarHBondContact O-N 2.92Å; A366-E368 VanDerWaalsContact C-N 3.28Å; A366-E368 PolarHBondContact O-N 3.25Å; A366-D369 PolarHBondContact O-N 3.15Å; A366-F370 HydrophobicContact CB-CE2 4.28Å; A366-F370 WeakPolarHBondContact O-CD2 3.24Å; A366-F370 PolarHBondContact O-N 3.4Å
367K94.2Very high93.9Very high31 Ų3158.5 Ų58.514%0.13529%0.291CS..Hα-helixtrans-60-38.6174.5-75171.2179.2179.60111.5L363 Q364 E365 R371 L387 L390L363-K367 WeakPolarHBondContact O-CG 3.34Å; L363-K367 PolarHBondContact O-N 2.98Å; L363-K367 VanDerWaalsContact O-N 3.08Å; Q364-K367 WeakPolarHBondContact O-CB 3.43Å; Q364-K367 PolarHBondContact O-N 3.17Å; Q364-K367 VanDerWaalsContact O-N 3.15Å; E365-K367 PolarHBondContact O-N 3.42Å; K367-R371 WeakPolarHBondContact O-CB 3.43Å; K367-R371 VanDerWaalsContact O-CG 3.27Å; K367-R371 WeakPolarHBondContact O-CG 3.44Å; K367-R371 PolarHBondContact O-N 2.76Å; K367-L387 HydrophobicContact CB-CD2 4.19Å; K367-L387 HydrophobicContact CG-CD2 4.18Å; K367-L390 HydrophobicContact CD-CB 4.49Å; K367-L390 VanDerWaalsContact CE-CB 3.48Å; K367-L390 WeakPolarHBondContact CE-O 3.27Å; K367-L390 HydrophobicContact CG-CB 4.14Å; K367-L390 HydrophobicContact CG-CD1 3.88Å; K367-L390 PolarHBondContact NZ-O 3.32Å
368E94.5Very high93.6Very high116 Ų11661.8 Ų61.854%0.54232%0.316SS..Hα-helixtrans-66.5-45.4176.8-68.2173.8-179.500111.8Q364 E365 A366 F370 R371 R372Q364-E368 PolarHBondContact O-N 2.88Å; E365-E368 WeakPolarHBondContact O-CB 3.36Å; E365-E368 PolarHBondContact O-N 3.33Å; A366-E368 VanDerWaalsContact C-N 3.28Å; A366-E368 PolarHBondContact O-N 3.25Å; E368-F370 VanDerWaalsContact C-N 3.35Å; E368-F370 PolarHBondContact O-N 3.37Å; E368-R371 PolarHBondContact O-N 3Å; E368-R372 PolarHBondContact O-N 3.49Å
369D95.4Very high93.3Very high6 Ų663.1 Ų63.13%0.03234%0.339CS..Hα-helixtrans-60-43.5176.7-76.9-25.7000111.9R353 R357 E365 A366 R372 L373R353-D369 IonicContact CZ-OD1 2.69Å; R353-D369 IonicContact CZ-OD2 3.31Å; R353-D369 IonicContact NE-OD1 2.7Å; R353-D369 PolarHBondContact NE-OD1 3.46Å; R353-D369 IonicContact NE-OD2 2.77Å; R353-D369 PolarHBondContact NE-OD2 3.05Å; R353-D369 IonicContact NH2-OD1 3.54Å; R353-D369 PolarHBondContact NH2-OD1 2.7Å; R353-D369 IonicContact NH2-OD2 3.02Å; R357-D369 WeakPolarHBondContact CD-OD2 3.39Å; R357-D369 IonicContact CZ-OD2 3.39Å; R357-D369 IonicContact NE-OD2 3.98Å; R357-D369 IonicContact NH1-OD1 2.67Å; R357-D369 PolarHBondContact NH1-OD1 3.06Å; R357-D369 IonicContact NH1-OD2 3.36Å; R357-D369 PolarHBondContact NH1-OD2 2.78Å; E365-D369 PolarHBondContact O-N 2.69Å; A366-D369 PolarHBondContact O-N 3.15Å; D369-R372 PolarHBondContact O-N 3.32Å; D369-L373 WeakPolarHBondContact O-CB 3.47Å; D369-L373 PolarHBondContact O-N 2.93Å
370F95.5Very high93.3Very high0 Ų062.1 Ų62.10%033%0.326CS..Hα-helixtrans-69.6-33.6176.3-66.8-56.3000113.1L358 A366 E368 L373 L374 A383 E386 L387 L390L358-F370 HydrophobicContact CD1-CE2 3.78Å; L358-F370 HydrophobicContact CD1-CZ 4Å; L358-F370 HydrophobicContact CG-CE2 4.07Å; A366-F370 HydrophobicContact CB-CE2 4.28Å; A366-F370 WeakPolarHBondContact O-CD2 3.24Å; A366-F370 PolarHBondContact O-N 3.4Å; E368-F370 VanDerWaalsContact C-N 3.35Å; E368-F370 PolarHBondContact O-N 3.37Å; F370-L373 HydrophobicContact CD1-CD2 4.23Å; F370-L373 WeakPolarHBondContact O-CB 3.48Å; F370-L373 PolarHBondContact O-N 3.4Å; F370-L374 WeakPolarHBondContact O-CG 3.35Å; F370-L374 PolarHBondContact O-N 3.49Å; F370-A383 HydrophobicContact CD1-CB 4.21Å; F370-E386 HydrophobicContact CD2-CB 4.27Å; F370-E386 HydrophobicContact CE1-CB 4.23Å; F370-E386 HydrophobicContact CE1-CG 4.41Å; F370-E386 HydrophobicContact CE2-CB 3.88Å; F370-E386 HydrophobicContact CZ-CB 3.85Å; F370-E386 HydrophobicContact CZ-CG 4.09Å; F370-L387 HydrophobicContact CB-CD1 3.71Å; F370-L387 HydrophobicContact CB-CD2 3.91Å; F370-L387 HydrophobicContact CB-CG 3.55Å; F370-L387 HydrophobicContact CG-CG 4.35Å; F370-L390 HydrophobicContact CD2-CD1 4.03Å; F370-L390 HydrophobicContact CE2-CD1 4.12Å
371R94.4Very high93.1Very high133 Ų13367.2 Ų67.250%0.50235%0.346SS..Hα-helixtrans-65-43.5172.3-77.3174.4-172144.3-1111K367 E368 L373 L374 Q375 L387K367-R371 WeakPolarHBondContact O-CB 3.43Å; K367-R371 VanDerWaalsContact O-CG 3.27Å; K367-R371 WeakPolarHBondContact O-CG 3.44Å; K367-R371 PolarHBondContact O-N 2.76Å; E368-R371 PolarHBondContact O-N 3Å; R371-L373 VanDerWaalsContact C-N 3.32Å; R371-L374 PolarHBondContact O-N 3.44Å; R371-Q375 WeakPolarHBondContact O-CG 3.5Å; R371-Q375 PolarHBondContact O-N 3.37Å; R371-L387 HydrophobicContact CG-CD1 4.45Å
372R94.1Very high92.9Very high86 Ų8669.3 Ų69.333%0.32534%0.342SS..Hα-helixtrans-62.8-42.2176-174.257.5176.3158.81.9110.9D344 F350 E368 D369 L374 Q375 L376D344-R372 IonicContact OD2-CZ 3.56Å; D344-R372 IonicContact OD2-NE 2.78Å; D344-R372 IonicContact OD2-NH2 3.51Å; D344-R372 PolarHBondContact OD2-NH2 3.1Å; F350-R372 HydrophobicContact CD1-CB 4.14Å; F350-R372 HydrophobicContact CD1-CG 3.96Å; F350-R372 HydrophobicContact CE1-CB 4.21Å; F350-R372 HydrophobicContact CE1-CG 3.63Å; F350-R372 HydrophobicContact CE2-CG 4.22Å; F350-R372 HydrophobicContact CG-CG 4.39Å; F350-R372 HydrophobicContact CZ-CG 3.77Å; E368-R372 PolarHBondContact O-N 3.49Å; D369-R372 PolarHBondContact O-N 3.32Å; R372-L374 VanDerWaalsContact C-N 3.33Å; R372-L374 PolarHBondContact O-N 2.96Å; R372-Q375 WeakPolarHBondContact O-CB 3.49Å; R372-Q375 PolarHBondContact O-N 2.84Å; R372-Q375 VanDerWaalsContact O-N 3.11Å; R372-L376 PolarHBondContact O-N 3.38Å; R372-L376 VanDerWaalsContact O-N 3.13Å
373L95.1Very high92.8Very high1 Ų165.5 Ų65.51%0.00533%0.326CS..Hα-helixtrans-57.3-43.2172.7177.357.3000112.4S347 F350 A351 D369 F370 R371 Q375 L376 E377 A383S347-L373 WeakPolarHBondContact O-CD1 3.45Å; F350-L373 HydrophobicContact CB-CB 4.21Å; A351-L373 HydrophobicContact CB-CD2 3.61Å; D369-L373 WeakPolarHBondContact O-CB 3.47Å; D369-L373 PolarHBondContact O-N 2.93Å; F370-L373 HydrophobicContact CD1-CD2 4.23Å; F370-L373 WeakPolarHBondContact O-CB 3.48Å; F370-L373 PolarHBondContact O-N 3.4Å; R371-L373 VanDerWaalsContact C-N 3.32Å; L373-Q375 VanDerWaalsContact C-N 3.31Å; L373-Q375 PolarHBondContact O-N 3.24Å; L373-L376 PolarHBondContact O-N 2.9Å; L373-E377 PolarHBondContact O-N 2.76Å; L373-A383 HydrophobicContact CD2-CB 3.66Å; L373-A383 HydrophobicContact CG-CB 4.04Å
374L94Very high92.7Very high36 Ų3666.5 Ų66.519%0.18833%0.331CS..Hα-helixtrans-69.5-25.7176.4-72.6177.5000113.9F370 R371 R372 E377 P378 A383 L384 L387F370-L374 WeakPolarHBondContact O-CG 3.35Å; F370-L374 PolarHBondContact O-N 3.49Å; R371-L374 PolarHBondContact O-N 3.44Å; R372-L374 VanDerWaalsContact C-N 3.33Å; R372-L374 PolarHBondContact O-N 2.96Å; L374-E377 CarbonylContact O-C 3.29Å; L374-P378 WeakPolarHBondContact O-CA 3.45Å; L374-A383 HydrophobicContact CD2-CB 3.79Å; L374-A383 HydrophobicContact CG-CB 3.93Å; L374-L384 HydrophobicContact CD1-CD2 3.78Å; L374-L384 HydrophobicContact CD1-CG 4.46Å; L374-L384 HydrophobicContact CD2-CD2 3.98Å; L374-L384 HydrophobicContact CD2-CG 3.91Å; L374-L387 HydrophobicContact CD1-CD1 3.42Å; L374-L387 VanDerWaalsContact CD1-CD1 3.42Å; L374-L387 HydrophobicContact CG-CD1 4.35Å
375Q93.3Very high92.7Very high130 Ų13065.3 Ų65.361%0.60733%0.328SS*.Hα-helixtrans-68.9-38.1171.5-69.2172.5-0.400111.4R371 R372 L373R371-Q375 WeakPolarHBondContact O-CG 3.5Å; R371-Q375 PolarHBondContact O-N 3.37Å; R372-Q375 WeakPolarHBondContact O-CB 3.49Å; R372-Q375 PolarHBondContact O-N 2.84Å; R372-Q375 VanDerWaalsContact O-N 3.11Å; L373-Q375 VanDerWaalsContact C-N 3.31Å; L373-Q375 PolarHBondContact O-N 3.24Å
376L92Very high92.5Very high56 Ų5663.9 Ų63.929%0.29332%0.321SS..Hα-helixtrans-76.4-44.1176.6-62.9174.4000111.5F350 R372 L373F350-L376 HydrophobicContact CD2-CD1 3.94Å; F350-L376 HydrophobicContact CE2-CD1 3.93Å; R372-L376 PolarHBondContact O-N 3.38Å; R372-L376 VanDerWaalsContact O-N 3.13Å; L373-L376 PolarHBondContact O-N 2.9Å
377E91.1Very high92.3Very high74 Ų7464.7 Ų64.735%0.34633%0.325SS..  trans-129.286.7-177.9-67.5-177.917800111.7S347 L373 L374 G379 N380S347-E377 VanDerWaalsContact CB-OE1 3.25Å; S347-E377 WeakPolarHBondContact CB-OE1 3.38Å; S347-E377 VanDerWaalsContact OG-CD 3.31Å; S347-E377 PolarHBondContact OG-OE1 2.87Å; L373-E377 PolarHBondContact O-N 2.76Å; L374-E377 CarbonylContact O-C 3.29Å; E377-G379 PolarHBondContact O-N 3.29Å; E377-N380 HydrophobicContact CB-CB 4.12Å; E377-N380 PolarHBondContact O-N 3.48Å; E377-N380 PolarHBondContact OE2-ND2 3.4Å
378P89.8Confident92.1Very high102 Ų10268.7 Ų68.766%0.66234%0.344SS*.THydrogen-bonded Turntrans-61.6-18.1-179-25.634.7000115L374L374-P378 WeakPolarHBondContact O-CA 3.45Å
379G89.4Confident91.8Very high65 Ų6568.4 Ų68.467%0.6734%0.342SS*.THydrogen-bonded Turntrans-93.23.3-179.100000115.2E377 K381E377-G379 PolarHBondContact O-N 3.29Å; G379-K381 PolarHBondContact O-N 2.94Å; G379-K381 VanDerWaalsContact O-N 3.11Å
380N91.9Very high91.3Very high31 Ų3169 Ų6917%0.16634%0.344CS..  trans-75.4104.3-172.8-165.1-39.8000112.1E377 Q382 A383 L384E377-N380 HydrophobicContact CB-CB 4.12Å; E377-N380 PolarHBondContact O-N 3.48Å; E377-N380 PolarHBondContact OE2-ND2 3.4Å; N380-Q382 VanDerWaalsContact C-N 3.31Å; N380-Q382 PolarHBondContact O-N 3.37Å; N380-Q382 WeakPolarHBondContact OD1-CB 3.39Å; N380-Q382 PolarHBondContact OD1-N 2.92Å; N380-Q382 VanDerWaalsContact OD1-N 3.08Å; N380-A383 HydrophobicContact CB-CB 4.24Å; N380-A383 PolarHBondContact O-N 3.16Å; N380-A383 PolarHBondContact OD1-N 3.44Å; N380-L384 PolarHBondContact O-N 3.37Å
381K90.4Very high90.6Very high163 Ų16375.4 Ų75.471%0.70937%0.374SS*.Hα-helixtrans-63.8-32.8-178.8-63.1-179.8-176.8175.10113.2G379 N385G379-K381 PolarHBondContact O-N 2.94Å; G379-K381 VanDerWaalsContact O-N 3.11Å; K381-N385 WeakPolarHBondContact O-CB 3.11Å; K381-N385 PolarHBondContact O-N 3.22Å; K381-N385 PolarHBondContact O-ND2 3.42Å
382Q88.4Confident89.8Confident96 Ų9673.6 Ų73.645%0.44938%0.378SS..Hα-helixtrans-64.8-49.6179.8-178.7-177.1-8.300109.8N380 L384 N385 E386N380-Q382 VanDerWaalsContact C-N 3.31Å; N380-Q382 PolarHBondContact O-N 3.37Å; N380-Q382 WeakPolarHBondContact OD1-CB 3.39Å; N380-Q382 PolarHBondContact OD1-N 2.92Å; N380-Q382 VanDerWaalsContact OD1-N 3.08Å; Q382-L384 VanDerWaalsContact C-N 3.32Å; Q382-L384 PolarHBondContact O-N 3.26Å; Q382-N385 PolarHBondContact O-N 3.02Å; Q382-E386 HydrophobicContact CG-CG 4.46Å; Q382-E386 WeakPolarHBondContact O-CG 3.28Å; Q382-E386 PolarHBondContact O-N 3.23Å
383A90.4Very high88.3Confident0 Ų074.9 Ų74.90%039%0.392CS..Hα-helixtrans-59.7-42.1179.300000112.2F370 L373 L374 N380 L387F370-A383 HydrophobicContact CD1-CB 4.21Å; L373-A383 HydrophobicContact CD2-CB 3.66Å; L373-A383 HydrophobicContact CG-CB 4.04Å; L374-A383 HydrophobicContact CD2-CB 3.79Å; L374-A383 HydrophobicContact CG-CB 3.93Å; N380-A383 HydrophobicContact CB-CB 4.24Å; N380-A383 PolarHBondContact O-N 3.16Å; N380-A383 PolarHBondContact OD1-N 3.44Å; A383-L387 VanDerWaalsContact O-CB 3.31Å; A383-L387 WeakPolarHBondContact O-CB 3.35Å; A383-L387 WeakPolarHBondContact O-CG 3.37Å; A383-L387 PolarHBondContact O-N 3.04Å
384L92.1Very high86.4Confident86 Ų8678.3 Ų78.345%0.4541%0.414SS..Hα-helixtrans-62.1-48.1175.7-71.3171.6000112.1L374 N380 Q382 L387 Q388L374-L384 HydrophobicContact CD1-CD2 3.78Å; L374-L384 HydrophobicContact CD1-CG 4.46Å; L374-L384 HydrophobicContact CD2-CD2 3.98Å; L374-L384 HydrophobicContact CD2-CG 3.91Å; N380-L384 PolarHBondContact O-N 3.37Å; Q382-L384 VanDerWaalsContact C-N 3.32Å; Q382-L384 PolarHBondContact O-N 3.26Å; L384-L387 PolarHBondContact O-N 3.17Å; L384-Q388 WeakPolarHBondContact O-CB 3.44Å; L384-Q388 PolarHBondContact O-N 3.14Å
385N91.3Very high84.4Confident87 Ų8784.2 Ų84.247%0.46545%0.446SS..Hα-helixtrans-64.1-43.5-179.6-70.6-14.7000111.6K381 Q382 Q388 K389K381-N385 WeakPolarHBondContact O-CB 3.11Å; K381-N385 PolarHBondContact O-N 3.22Å; K381-N385 PolarHBondContact O-ND2 3.42Å; Q382-N385 PolarHBondContact O-N 3.02Å; N385-Q388 PolarHBondContact O-N 3.22Å; N385-K389 WeakPolarHBondContact O-CG 2.99Å; N385-K389 PolarHBondContact O-N 2.84Å
386E90.6Very high82Confident43 Ų4383.4 Ų83.420%0.20145%0.453CS..Hα-helixtrans-67.2-41.6177.7-64.9-50.3141.800111.6F370 Q382 Q388 K389 L390F370-E386 HydrophobicContact CD2-CB 4.27Å; F370-E386 HydrophobicContact CE1-CB 4.23Å; F370-E386 HydrophobicContact CE1-CG 4.41Å; F370-E386 HydrophobicContact CE2-CB 3.88Å; F370-E386 HydrophobicContact CZ-CB 3.85Å; F370-E386 HydrophobicContact CZ-CG 4.09Å; Q382-E386 HydrophobicContact CG-CG 4.46Å; Q382-E386 WeakPolarHBondContact O-CG 3.28Å; Q382-E386 PolarHBondContact O-N 3.23Å; E386-Q388 VanDerWaalsContact C-N 3.32Å; E386-Q388 PolarHBondContact O-N 3.17Å; E386-K389 PolarHBondContact O-N 2.94Å; E386-K389 IonicContact OE1-NZ 3.91Å; E386-K389 PolarHBondContact OE1-NZ 2.92Å; E386-K389 WeakPolarHBondContact OE2-CD 3.26Å; E386-K389 IonicContact OE2-NZ 2.88Å; E386-K389 PolarHBondContact OE2-NZ 2.93Å; E386-L390 WeakPolarHBondContact O-CB 3.45Å; E386-L390 WeakPolarHBondContact O-CD1 3.49Å; E386-L390 WeakPolarHBondContact O-CG 3.48Å; E386-L390 PolarHBondContact O-N 3.4Å
387L90.5Very high79.6Confident16 Ų1685.3 Ų85.38%0.08447%0.471CS..Hα-helixtrans-62.3-39173.2-81.3168.6000112.7K367 F370 R371 L374 A383 L384 L390 Q391K367-L387 HydrophobicContact CB-CD2 4.19Å; K367-L387 HydrophobicContact CG-CD2 4.18Å; F370-L387 HydrophobicContact CB-CD1 3.71Å; F370-L387 HydrophobicContact CB-CD2 3.91Å; F370-L387 HydrophobicContact CB-CG 3.55Å; F370-L387 HydrophobicContact CG-CG 4.35Å; R371-L387 HydrophobicContact CG-CD1 4.45Å; L374-L387 HydrophobicContact CD1-CD1 3.42Å; L374-L387 VanDerWaalsContact CD1-CD1 3.42Å; L374-L387 HydrophobicContact CG-CD1 4.35Å; A383-L387 VanDerWaalsContact O-CB 3.31Å; A383-L387 WeakPolarHBondContact O-CB 3.35Å; A383-L387 WeakPolarHBondContact O-CG 3.37Å; A383-L387 PolarHBondContact O-N 3.04Å; L384-L387 PolarHBondContact O-N 3.17Å; L387-L390 CarbonylContact O-C 3.59Å; L387-L390 PolarHBondContact O-N 2.9Å; L387-Q391 WeakPolarHBondContact O-CB 3.46Å; L387-Q391 VanDerWaalsContact O-CG 3.26Å; L387-Q391 WeakPolarHBondContact O-CG 3.43Å; L387-Q391 PolarHBondContact O-N 3.06Å
388Q89.1Confident77Confident115 Ų11584.8 Ų84.854%0.53749%0.486SS..Hα-helixtrans-63.5-45176.3-174178.55.100111.2L384 N385 E386 L390 Q391 T392L384-Q388 WeakPolarHBondContact O-CB 3.44Å; L384-Q388 PolarHBondContact O-N 3.14Å; N385-Q388 PolarHBondContact O-N 3.22Å; E386-Q388 VanDerWaalsContact C-N 3.32Å; E386-Q388 PolarHBondContact O-N 3.17Å; Q388-L390 VanDerWaalsContact C-N 3.28Å; Q388-L390 PolarHBondContact O-N 2.94Å; Q388-Q391 WeakPolarHBondContact O-CB 3.42Å; Q388-Q391 PolarHBondContact O-N 3.3Å; Q388-Q391 VanDerWaalsContact O-N 3.08Å; Q388-T392 PolarHBondContact O-N 3.47Å; Q388-T392 PolarHBondContact O-OG1 2.98Å
389K88.3Confident74.6Confident111 Ų11184.2 Ų84.248%0.48349%0.49SS..Hα-helixtrans-57.5-43.7174-70.3170.5-172.9172.90111.5N385 E386 Q391 T392 D393N385-K389 WeakPolarHBondContact O-CG 2.99Å; N385-K389 PolarHBondContact O-N 2.84Å; E386-K389 PolarHBondContact O-N 2.94Å; E386-K389 IonicContact OE1-NZ 3.91Å; E386-K389 PolarHBondContact OE1-NZ 2.92Å; E386-K389 WeakPolarHBondContact OE2-CD 3.26Å; E386-K389 IonicContact OE2-NZ 2.88Å; E386-K389 PolarHBondContact OE2-NZ 2.93Å; K389-Q391 PolarHBondContact O-N 2.89Å; K389-T392 WeakPolarHBondContact CA-OG1 3.44Å; K389-T392 PolarHBondContact O-N 3.42Å; K389-T392 PolarHBondContact O-OG1 3.38Å; K389-D393 PolarHBondContact O-N 3.32Å
390L85.9Confident72.1Confident17 Ų1789.6 Ų89.69%0.08950%0.502CS..Hα-helixtrans-71.3-15.7178.8-64.9167.2000114.1L358 L363 K367 F370 E386 L387 Q388L358-L390 HydrophobicContact CD2-CD1 3.79Å; L358-L390 HydrophobicContact CD2-CD2 3.46Å; L358-L390 VanDerWaalsContact CD2-CD2 3.46Å; L358-L390 HydrophobicContact CD2-CG 4.12Å; L363-L390 HydrophobicContact CD2-CD2 3.73Å; K367-L390 HydrophobicContact CD-CB 4.49Å; K367-L390 VanDerWaalsContact CE-CB 3.48Å; K367-L390 WeakPolarHBondContact CE-O 3.27Å; K367-L390 HydrophobicContact CG-CB 4.14Å; K367-L390 HydrophobicContact CG-CD1 3.88Å; K367-L390 PolarHBondContact NZ-O 3.32Å; F370-L390 HydrophobicContact CD2-CD1 4.03Å; F370-L390 HydrophobicContact CE2-CD1 4.12Å; E386-L390 WeakPolarHBondContact O-CB 3.45Å; E386-L390 WeakPolarHBondContact O-CD1 3.49Å; E386-L390 WeakPolarHBondContact O-CG 3.48Å; E386-L390 PolarHBondContact O-N 3.4Å; L387-L390 CarbonylContact O-C 3.59Å; L387-L390 PolarHBondContact O-N 2.9Å; Q388-L390 VanDerWaalsContact C-N 3.28Å; Q388-L390 PolarHBondContact O-N 2.94Å
391Q80.9Confident69.5Low135 Ų13596.1 Ų96.163%0.63153%0.532SS*.Hα-helixtrans-89.5-30.7172.7-76.9173.9-5.800112.4L387 Q388 K389 D393 P394L387-Q391 WeakPolarHBondContact O-CB 3.46Å; L387-Q391 VanDerWaalsContact O-CG 3.26Å; L387-Q391 WeakPolarHBondContact O-CG 3.43Å; L387-Q391 PolarHBondContact O-N 3.06Å; Q388-Q391 WeakPolarHBondContact O-CB 3.42Å; Q388-Q391 PolarHBondContact O-N 3.3Å; Q388-Q391 VanDerWaalsContact O-N 3.08Å; K389-Q391 PolarHBondContact O-N 2.89Å; Q391-D393 VanDerWaalsContact C-N 3.34Å; Q391-P394 WeakPolarHBondContact O-CD 3.28Å
392T76.9Confident67Low95 Ų9593.2 Ų93.258%0.58354%0.538SS*.Hα-helixtrans-76.1-20.7176.646.70000113.5Q388 K389 P394Q388-T392 PolarHBondContact O-N 3.47Å; Q388-T392 PolarHBondContact O-OG1 2.98Å; K389-T392 WeakPolarHBondContact CA-OG1 3.44Å; K389-T392 PolarHBondContact O-N 3.42Å; K389-T392 PolarHBondContact O-OG1 3.38Å; T392-P394 WeakPolarHBondContact O-CD 3.35Å
393D62.7Low64.4Low114 Ų11496.7 Ų96.761%0.6155%0.554SS**  trans-106.559.7173.1-70.7-33.2000113.1K389 Q391 D395K389-D393 PolarHBondContact O-N 3.32Å; Q391-D393 VanDerWaalsContact C-N 3.34Å; D393-D395 VanDerWaalsContact C-N 3.26Å; D393-D395 PolarHBondContact O-N 3.18Å
394P56.4Low61.9Low72 Ų72104.7 Ų104.747%0.46860%0.597SS.*G310 helixtrans-74.6-18.1174.132.7-31.5000112.3Q391 T392 C396 S397Q391-P394 WeakPolarHBondContact O-CD 3.28Å; T392-P394 WeakPolarHBondContact O-CD 3.35Å; P394-C396 PolarHBondContact O-N 3.39Å; P394-S397 PolarHBondContact O-OG 3.32Å
395D50.4Low59.4Low161 Ų161103.7 Ų103.786%0.86161%0.608SS**G310 helixtrans-90.211.6-171.8-75.1-25.9000115.1D393D393-D395 VanDerWaalsContact C-N 3.26Å; D393-D395 PolarHBondContact O-N 3.18Å
396C44.4Very low57.1Low113 Ų113104.1 Ų104.176%0.76462%0.623SS**G310 helixtrans-105.319.3170.1-122.70000113.2P394P394-C396 PolarHBondContact O-N 3.39Å
397S40.3Very low54.7Low95 Ų95111 Ų11166%0.66466%0.655SS**  trans-105.352.3170.765.90000112.1P394P394-S397 PolarHBondContact O-OG 3.32Å
398G37.8Very low52.4Low64 Ų64121.7 Ų121.766%0.6670%0.695SS**SBendtrans-150.898.8173.700000111.5
399A38.5Very low50.4Low90 Ų90127.6 Ų127.674%0.74471%0.712SS**  trans57.2100.4160.200000118.8
400L36.8Very low48.4Very low178 Ų178128.6 Ų128.693%0.93273%0.727SS**  trans-125.464.6133.5-72.4175.6000108.1
401Q36.9Very low46.5Very low168 Ų168134 Ų13479%0.78576%0.761SS**  trans-67125.2142.9-78.1175.4-7.900105.3E403Q401-E403 PolarHBondContact O-N 3.46Å
402A38.8Very low45Very low102 Ų102135.4 Ų135.484%0.84377%0.768SS**  trans-64.4102.9170.100000107.5
403E33.7Very low43.3Very low169 Ų169136.8 Ų136.879%0.7978%0.778SS**  trans-126.9130.5163.9-77.7-74.4158.300107.4Q401Q401-E403 PolarHBondContact O-N 3.46Å
404D37.6Very low43.1Very low168 Ų168137.4 Ų137.490%0.89879%0.785SS**  trans-51.2147.6179.7-95.2-42.6000113.1
405G39.8Very low43.3Very low65 Ų65140.4 Ų140.467%0.6780%0.798SS**  trans104.7101.5151.800000117.2
406A43.6Very low43.6Very low96 Ų96139.2 Ų139.279%0.79379%0.785SS**  trans43.584.8139.700000119.8
407Q39.9Very low44.9Very low186 Ų186137.1 Ų137.187%0.86977%0.77SS**  trans-141.7109.5138.3-106.31099.500111.2R409Q407-R409 PolarHBondContact O-N 2.98Å
408R42.3Very low46Very low242 Ų242141 Ų14191%0.91378%0.778SS**  trans-60123.7164.7-73177.3175.6178.3-2.5107.7T410R408-T410 PolarHBondContact O-N 3.42Å
409R45.6Very low47.4Very low239 Ų239145.4 Ų145.490%0.90278%0.78SS**  trans-57.2110.8173.8-68.8178.1176.8178.1-2.6109.3Q407 V411Q407-R409 PolarHBondContact O-N 2.98Å; R409-V411 PolarHBondContact O-N 3.27Å
410T46.9Very low48.7Very low131 Ų131146.6 Ų146.680%0.80477%0.774SS**  trans-70.3109.7172.8-56.10000108.9R408 Q412R408-T410 PolarHBondContact O-N 3.42Å; T410-Q412 PolarHBondContact O-N 3.04Å
411V46.6Very low50.1Low132 Ų132145.2 Ų145.280%0.876%0.756SS**PPolyproline II helixtrans-73.3119.4173.5179.20000108.3R409R409-V411 PolarHBondContact O-N 3.27Å
412Q48.9Very low51.8Low164 Ų164141.9 Ų141.977%0.76675%0.751SS**PPolyproline II helixtrans-81.3139.4170-67.8-156.811.900110.6T410 V414T410-Q412 PolarHBondContact O-N 3.04Å; Q412-V414 PolarHBondContact O-N 3.37Å
413P42.3Very low53.2Low123 Ų123143.9 Ų143.980%0.79975%0.753SS**PPolyproline II helixtrans-64.9125.2176.5-14.928.2000110.6
414V58.6Low55.1Low127 Ų127143.8 Ų143.877%0.7775%0.75SS**  trans-91.9110.8169.5177.30000108Q412 K416Q412-V414 PolarHBondContact O-N 3.37Å; V414-K416 PolarHBondContact O-N 3.03Å; V414-K416 VanDerWaalsContact O-N 3.13Å
415D59.4Low56.7Low135 Ų135141.7 Ų141.772%0.72275%0.746SS**  trans-71.8104.4174.5-93-42.2000110.6R421D415-R421 IonicContact OD1-NH2 3.37Å; D415-R421 PolarHBondContact OD1-NH2 2.78Å
416K58.1Low58.2Low137 Ų137146.9 Ų146.960%0.59676%0.757SS**  trans-74.7128.4171-70.5176.9-179.1177.30109.6V414 R421V414-K416 PolarHBondContact O-N 3.03Å; V414-K416 VanDerWaalsContact O-N 3.13Å; K416-R421 PolarHBondContact O-NE 3.03Å; K416-R421 VanDerWaalsContact O-NE 3.16Å
417P70.5Confident59.1Low69 Ų69153.7 Ų153.745%0.44876%0.763SS.*  trans-62.5149.9178.626.1-34.1000111.5H419 L420P417-H419 VanDerWaalsContact CG-CE1 3.45Å; P417-H419 WeakPolarHBondContact CG-CE1 3.28Å; P417-H419 PolarHBondContact O-N 3.22Å; P417-L420 HydrophobicContact CG-CD1 4.2Å; P417-L420 PolarHBondContact O-N 2.98Å
418E63.1Low60.5Low177 Ų177156.4 Ų156.483%0.82777%0.765SS**G310 helixtrans-55.3-31.4-164.1-69.3-174.615300114.8L420 R421E418-L420 PolarHBondContact O-N 3.49Å; E418-R421 PolarHBondContact O-N 3.33Å
419H67.6Low61.4Low155 Ų155152 Ų15272%0.71876%0.758SS**G310 helixtrans-71.7-12.1179.666-81.5000114.5P417P417-H419 VanDerWaalsContact CG-CE1 3.45Å; P417-H419 WeakPolarHBondContact CG-CE1 3.28Å; P417-H419 PolarHBondContact O-N 3.22Å
420L66.1Low61.6Low116 Ų116147.9 Ų147.961%0.60775%0.754SS**G310 helixtrans-109.55.6177.7-66.4172.9000113.1P417 E418P417-L420 HydrophobicContact CG-CD1 4.2Å; P417-L420 PolarHBondContact O-N 2.98Å; E418-L420 PolarHBondContact O-N 3.49Å
421R66.6Low61.7Low148 Ų148149.2 Ų149.256%0.55875%0.754SS**SBendtrans-82.5128.8175.9-71.2-172.4177.8-154.8-1.7109.9D415 K416 E418 T423D415-R421 IonicContact OD1-NH2 3.37Å; D415-R421 PolarHBondContact OD1-NH2 2.78Å; K416-R421 PolarHBondContact O-NE 3.03Å; K416-R421 VanDerWaalsContact O-NE 3.16Å; E418-R421 PolarHBondContact O-N 3.33Å; R421-T423 PolarHBondContact O-N 3.36Å
422S70.9Confident61.9Low98 Ų98151.5 Ų151.569%0.68576%0.756SS**  trans-60.8129.2171.3170.80000109.7K424S422-K424 PolarHBondContact O-N 3.2Å; S422-K424 PolarHBondContact OG-N 2.92Å
423T68.6Low61.5Low144 Ų144152.3 Ų152.388%0.88376%0.76SS**SBendtrans-79-2.9177.153.50000113.3R421R421-T423 PolarHBondContact O-N 3.36Å
424K74.6Confident61.6Low167 Ų167154.4 Ų154.473%0.72676%0.763SS**SBendtrans-87.2125.4179.2-70.2-178.8178.9177.30110.9S422S422-K424 PolarHBondContact O-N 3.2Å; S422-K424 PolarHBondContact OG-N 2.92Å
425P70.6Confident60.6Low124 Ų124154 Ų15481%0.80577%0.765SS**PPolyproline II helixtrans-66.8135.2176.126.9-32.8000110.9
426L71.4Confident59.5Low174 Ų174150.4 Ų150.491%0.91176%0.76SS**PPolyproline II helixtrans-72.6137.7178.1-67163.3000110.3
427R63.4Low58.5Low240 Ų240154.2 Ų154.291%0.90678%0.777SS**PPolyproline II helixtrans-81.9134.2171-68.9-173.4-159.7-178.45.6109.8
428R68.8Low56.7Low242 Ų242159.3 Ų159.391%0.91380%0.8SS**PPolyproline II helixtrans-76.8134.8169.2-72.6-176.6175.2-176.1-1.8109.4
429I59.9Low55.1Low149 Ų149155.1 Ų155.176%0.76480%0.795SS**  trans-118.4120.4169.6-57.1172.6000104.9
430D51.4Low53.5Low153 Ų153156.1 Ų156.182%0.81881%0.805SS**PPolyproline II helixtrans-76.3128.5178.7-66.7-38.3000109.6
431I49.3Very low52.2Low160 Ų160156.5 Ų156.582%0.82181%0.814SS**PPolyproline II helixtrans-103.2121.9176.2-57.5173.9000107.5
432Q50.8Low50.3Low179 Ų179160.5 Ų160.584%0.83683%0.829SS**PPolyproline II helixtrans-92.1126.1171.3-70.6-178.9-3.700109.8
433E40.1Very low48.3Very low181 Ų181162.9 Ų162.985%0.84683%0.83SS**PPolyproline II helixtrans-74.7120.2173-88.7-177.115300110.7S435E433-S435 PolarHBondContact O-N 3.27Å
434I44.1Very low46.4Very low167 Ų167163.7 Ų163.786%0.85682%0.824SS**  trans-91.696.2169.6-49.4171.1000107.4G436I434-G436 PolarHBondContact O-N 2.91Å
435S37.2Very low44.2Very low118 Ų118160.4 Ų160.483%0.82583%0.827SS**  trans-72.988.3173.3-60.50000110.5E433E433-S435 PolarHBondContact O-N 3.27Å
436G36.4Very low42.2Very low60 Ų60162.5 Ų162.562%0.61983%0.831SS**  trans-125.1100.9174.700000112.2I434 L438I434-G436 PolarHBondContact O-N 2.91Å; G436-L438 PolarHBondContact O-N 2.83Å
437K36.9Very low40.6Very low217 Ų217160 Ų16094%0.94383%0.825SS**  trans-66.8117.6166.1-73.7178.5177.1177.90109
438L32.6Very low39.4Very low177 Ų177154 Ų15493%0.92782%0.817SS**  trans-96.6102.5168.9-101.3132.6000109.5G436G436-L438 PolarHBondContact O-N 2.83Å
439A30.2Very low37.4Very low88 Ų88150 Ų15073%0.72781%0.813SS**  trans-80.9133.9162.700000109.1
440L34.5Very low35.8Very low176 Ų176150 Ų15092%0.92181%0.813SS**  trans-68.2143.6170.6-72.7159.8000110.9
441P38Very low34.7Very low124 Ų124151.5 Ų151.581%0.80582%0.815SS**  trans-125.5156.9139.622.1-3.5000113.1
442R26.5Very low33.6Very low233 Ų233153 Ų15388%0.87982%0.818SS**  trans-96.9154.7-172.3-154-177.9-168.6175.21.7110.1
443Q29.8Very low32.4Very low148 Ų148151 Ų15169%0.69282%0.818SS**  trans87.8116.4158.8-88173.1-70.500121.3
444E28.9Very low31.7Very low161 Ų161150.3 Ų150.375%0.75282%0.82SS**  112.8119.9126.2-81.2169.6-156.900120.8
445A28.2Very low30.8Very low98 Ų98146 Ų14681%0.8182%0.817SS**  trans66.6118.3146.700000121.5
446L28.4Very low30.2Very low167 Ų167149.8 Ų149.887%0.87482%0.819SS**  trans-69154.2160.4-72.6163.3000110.9
447P36.3Very low29.6Very low122 Ų122152.5 Ų152.579%0.79282%0.824SS**  -145.417682.130-6.4000115.8
448P39.2Very low29Very low113 Ų113149.2 Ų149.273%0.73482%0.817SS**  trans-105.8157.8-154.539.1-31000114.5
449L25.9Very low28.7Very low158 Ų158145.8 Ų145.883%0.82781%0.807SS**  trans-167.6114.1151.7-137.578.6000113.5
450I26.6Very low29.1Very low149 Ų149146.7 Ų146.776%0.76481%0.806SS**  trans31.7116133.4-49.3170.4000118.6
451Q29.7Very low28.7Very low186 Ų186146.3 Ų146.387%0.86980%0.804SS**  -167.5110.6123.1-116.7172.8-14.600112.1
452E25.7Very low28.2Very low190 Ų190146 Ų14689%0.88881%0.805SS**  trans-78.5134.3158.3-66.2-176.1150.700109.1
453V26.1Very low28.2Very low138 Ų138139.6 Ų139.684%0.83680%0.796SS**  trans-147.3128.8144-179.50000109
454D24.9Very low28Very low166 Ų166138.1 Ų138.189%0.88880%0.801SS**  trans-49.5155.6175.7-74-64.7000117.4
455G25.1Very low28.4Very low77 Ų77136.3 Ų136.379%0.79480%0.804SS**  trans178.288161.700000115.2
456K24.3Very low28.2Very low197 Ų197137.9 Ų137.986%0.85781%0.809SS**  trans-42.9145.6169.9-72.2165.4167.7168.80114.6
457T23.6Very low28.3Very low117 Ų117134 Ų13472%0.71880%0.801SS**  166.6133.4100.444.50000112.2
458D24.5Very low27.9Very low149 Ų149137.4 Ų137.480%0.79780%0.803SS**  trans59.6132.4135.9-61.5-13000119.4
459S25.9Very low27.4Very low104 Ų104140.3 Ų140.373%0.72781%0.811SS**  cis-174.2-154.623.5-82.50000107.2
460P38Very low27.5Very low108 Ų108139.5 Ų139.570%0.70181%0.806SS**  -120.4-162-84.138.6-20.1000112.4
461L26.6Very low27.5Very low168 Ų168141.6 Ų141.688%0.8881%0.809SS**  trans96.2131.3175.3-51.9157.7000112
462S27.4Very low27.4Very low117 Ų117141.3 Ų141.382%0.81881%0.81SS**  cis-161.6157.435.4-177.60000110.9
463S27.3Very low27.6Very low99 Ų99139.9 Ų139.969%0.69280%0.804SS**  trans-83.4128.2-168.151.40000115.7
464S25.3Very low27.6Very low116 Ų116140.8 Ų140.881%0.81180%0.799SS**  trans57.7163134.9-61.60000121.3
465P36.5Very low27.7Very low124 Ų124137.4 Ų137.481%0.80579%0.794SS**  cis-128.2142.6-20.529.9-10.9000112.9
466S25.5Very low27.8Very low131 Ų131138 Ų13892%0.91679%0.792SS**  trans-95.6133.4171.2-153.80000111.1
467A28.9Very low27.9Very low86 Ų86137.6 Ų137.671%0.71179%0.792SS**  trans-83.4132.3-170.200000112.8
468K28.3Very low28Very low192 Ų192137.8 Ų137.884%0.83579%0.794SS**  trans24.396.8142.4-67.6176.6178.2177.40116.8I470K468-I470 PolarHBondContact O-N 3.48Å
469I28.6Very low28.1Very low175 Ų175138.6 Ų138.690%0.89779%0.793SS**  trans-81.4105.6153.3-67.7166.8000107
470I28.3Very low28Very low141 Ų141140.1 Ų140.172%0.72380%0.798SS**  trans-110.1121.6164.4-69.5175.9000108.2K468K468-I470 PolarHBondContact O-N 3.48Å
471K27Very low27.5Very low192 Ų192141.9 Ų141.984%0.83580%0.797SS**  trans-52.5125.3166.6-159174.3-169173.80111.3
472M27.1Very low27.3Very low181 Ų181145.7 Ų145.789%0.89280%0.799SS**  trans-165.5109.5158.3-104.9-173.368.100110.7
473E30.1Very low27.3Very low160 Ų160148 Ų14875%0.74880%0.797SS**  trans-174.2143.1147.1-100.8-173.2-179.800103.2K348K348-E473 IonicContact NZ-OE1 2.91Å
474E26.7Very low27Very low157 Ų157151 Ų15173%0.73481%0.805SS**  cis-169.8148.9-7.3-169.8166.7162.800104.1
475A27.6Very low27Very low95 Ų95157 Ų15779%0.78581%0.81SS**  trans-62.7141.7-17900000111.3
476A26.3Very low26.3Very low90 Ų90156.9 Ų156.974%0.74481%0.807SS**  trans-68.5140.2160.600000110.2
477E25.7Very low26.3Very low187 Ų187156.1 Ų156.187%0.87480%0.802SS**  trans175.5129.6146.9-101.7168.3-157.200104.6
478T26.6Very low25.9Very low121 Ų121156.1 Ų156.174%0.74280%0.801SS**  cis-158139.625.3-40.40000108
479Q25.8Very low25.8Very low167 Ų167151.9 Ų151.978%0.7880%0.796SS**  trans-71.7127.1160.7-68.6177.3-7.800108.4
480T23.9Very low25.7Very low136 Ų136154 Ų15483%0.83479%0.793SS**  trans-117.5103.9150.1-33.60000106.7
481Q27.7Very low25.4Very low145 Ų145154 Ų15468%0.67879%0.794SS**  trans-64.7142.1163.7-65.5178.8-1000108.6
482R23.9Very low25.2Very low247 Ų247149 Ų14993%0.93279%0.789SS**  -159.3129.4117.8-104.9171.9-164.8-160.64.5111.4
483H25.8Very low25.2Very low167 Ų167145.3 Ų145.377%0.77378%0.781SS**  trans-60.7139.8161.1-78-102.9000110.1
484D21.9Very low25Very low160 Ų160146.4 Ų146.486%0.85679%0.786SS**  -150.8114128.4-95.7-32.2000108.7
485R23.9Very low24.8Very low243 Ų243145 Ų14592%0.91779%0.793SS**  trans-129.299.5155.2-103.1-168.3179.6-174.31.1108.6
486V23Very low24.7Very low122 Ų122146.3 Ų146.374%0.73979%0.791SS**  trans-48.6134.6139.3173.70000108.5
487S24.3Very low24.7Very low115 Ų115150.2 Ų150.280%0.80479%0.794SS**  175.8135.1120.7-71.90000112.6
488A21.7Very low24.7Very low85 Ų85149 Ų14970%0.70279%0.789SS**  trans-84164.3171.400000112.4
489S25.4Very low24.6Very low104 Ų104151.5 Ų151.573%0.72779%0.792SS**  trans73.1147.9147.882.60000116.7
490R26.5Very low24.7Very low220 Ų220149.4 Ų149.483%0.8380%0.795SS**  cis-174177.716.3-132.9165.3-168.6-179.81109.7
491D22.8Very low24.7Very low141 Ų141149.4 Ų149.475%0.75480%0.795SS**  trans96.5101.2160.1-56.7-22000116.8
492A23.2Very low24.6Very low87 Ų87151.9 Ų151.972%0.71981%0.807SS**  68117.874.700000111.8
493S25.4Very low24.7Very low103 Ų103145 Ų14572%0.7280%0.803SS**  -172140.265.4-62.10000113.5
494Q26.1Very low24.9Very low182 Ų182141.9 Ų141.985%0.8581%0.806SS**  trans60.8120.8134.9-65.4178.9-1300122.6
495S24.2Very low25.2Very low127 Ų127143.5 Ų143.589%0.88881%0.808SS**  -163.4154.1107.345.20000111.2
496V25.2Very low25.3Very low124 Ų124136.3 Ų136.375%0.75280%0.801SS**  trans-109.1145.5-158.3168.40000111.1
497Q26.6Very low26Very low171 Ų171136.4 Ų136.480%0.79980%0.804SS**  trans-173.9108.7138.1-100.6170.1-3.800107.5
498E25Very low26.5Very low163 Ų163135.8 Ų135.876%0.76280%0.799SS**  63.5134.498.4-80.2-178.7-176.300112.9
499E25.1Very low28Very low173 Ų173137.2 Ų137.281%0.80881%0.805SS**  cis-174.5139.7-6.2-158.1179.8-151.900104.5
500S26.2Very low29.7Very low122 Ų122138.7 Ų138.785%0.85380%0.804SS**  trans165136.1138.748.30000112.1
501T24.2Very low31.8Very low136 Ų136130.1 Ų130.183%0.83478%0.776SS**  trans-80.7139.1-168.846.90000113.5
502E26.6Very low34.4Very low197 Ų197124.7 Ų124.792%0.92175%0.749SS**  -158.2123.8129.4-136.2167.2-17300110.5
503A26.8Very low37.1Very low102 Ų102125.1 Ų125.184%0.84374%0.744SS**  trans-90.4123.6179.600000109.8
504A28.2Very low39.6Very low102 Ų102123 Ų12384%0.84373%0.733SS**  trans-154.2126.5154.300000110.2
505E28.9Very low42.4Very low195 Ų195114.9 Ų114.991%0.91170%0.696SS**  trans-24140-179.4-68.1166.7149.500120.3
506A26.7Very low45.2Very low91 Ų91113.6 Ų113.675%0.75269%0.687SS**  trans-72164.2175.200000114
507P37.2Very low48.1Very low125 Ų125109.9 Ų109.981%0.81267%0.667SS**  -122.6136.6107.734.4-29.1000113
508S35.8Very low50.9Low101 Ų101103 Ų10371%0.70664%0.637SS**  trans-16122.6175.151.60000119.2
509S52.2Low53.8Low116 Ų116102.3 Ų102.381%0.81163%0.632SS**  trans-85.899172.956.40000112.4
510D61.3Low56.8Low134 Ų13497.1 Ų97.172%0.71761%0.608SS**  trans-94.29.8174.7-83.6-26.9000114
511V70.8Confident59.8Low40 Ų4091.3 Ų91.324%0.24257%0.567CS.*PPolyproline II helixtrans-93.5127.2-173.8-172.80000110.7R537 Y538V511-R537 HydrophobicContact CG2-CB 4.11Å; V511-Y538 HydrophobicContact CG1-CD2 3.77Å; V511-Y538 HydrophobicContact CG1-CG 4.22Å
512P77.1Confident62.8Low28 Ų2886.4 Ų86.418%0.18254%0.535CS..PPolyproline II helixtrans-63.8159.2177.323.4-29.3000112.2D524 L528 Y538 Q541P512-D524 HydrophobicContact CG-CB 3.99Å; P512-L528 HydrophobicContact CG-CD1 4.02Å; P512-Y538 HydrophobicContact CB-CE2 4.19Å; P512-Y538 HydrophobicContact CG-CD2 3.89Å; P512-Y538 HydrophobicContact CG-CE2 3.66Å; P512-Y538 WeakPolarHBondContact O-CD2 3.44Å; P512-Y538 WeakPolarHBondContact O-CE2 3.43Å; P512-Q541 PolarHBondContact O-OE1 2.95Å
513P79.9Confident65.7Low96 Ų9678.7 Ų78.762%0.62351%0.505SS*.PPolyproline II helixtrans-68.2159.2-179.530.1-36.3000112.3Y538P513-Y538 WeakPolarHBondContact O-CE2 3.27Å
514A78.6Confident68.6Low58 Ų5874.5 Ų74.548%0.47947%0.468SS..PPolyproline II helixtrans-52.4131.1-178.400000112.4
515P84.6Confident71.4Confident11 Ų1169.7 Ų69.77%0.07143%0.428CS..PPolyproline II helixtrans-74.4138.7-17425.9-29.9000112Q520 L521 Y538 I542 I550P515-Q520 HydrophobicContact CB-CB 4.29Å; P515-Q520 HydrophobicContact CB-CG 4.28Å; P515-L521 HydrophobicContact CB-CB 3.89Å; P515-L521 HydrophobicContact CG-CB 4Å; P515-L521 HydrophobicContact CG-CD1 3.77Å; P515-L521 HydrophobicContact CG-CG 4.45Å; P515-Y538 WeakPolarHBondContact CB-OH 3.46Å; P515-Y538 HydrophobicContact CG-CE1 4.49Å; P515-Y538 WeakPolarHBondContact CG-OH 3.42Å; P515-I542 HydrophobicContact CG-CD1 3.7Å; P515-I542 HydrophobicContact CG-CG1 4.12Å; P515-I550 HydrophobicContact CG-CD1 4.33Å
516S81.9Confident74.1Confident100 Ų10068 Ų6870%0.69941%0.413SS*.SBendtrans-96.6-13.5176.860.90000113.6Q520S516-Q520 VanDerWaalsContact N-OE1 3.08Å; S516-Q520 PolarHBondContact OG-OE1 3.34Å
517S87.1Confident76.9Confident47 Ų4771 Ų7133%0.32941%0.409SS..SBendtrans-147.2150.9-173.3176.70000110.9F519 Q520 L521S517-F519 PolarHBondContact O-N 3.38Å; S517-Q520 WeakPolarHBondContact O-CB 3.46Å; S517-Q520 PolarHBondContact O-N 2.83Å; S517-Q520 VanDerWaalsContact O-N 3.1Å; S517-L521 PolarHBondContact O-N 3.5Å; S517-L521 VanDerWaalsContact O-N 3.14Å
518S84.9Confident79.1Confident26 Ų2666 Ų6618%0.18238%0.376CS..Hα-helixtrans-55.3-38.3178.759.50000112.7Q520 L521 E522 I550S518-Q520 VanDerWaalsContact C-N 3.35Å; S518-Q520 PolarHBondContact O-N 3.44Å; S518-L521 PolarHBondContact O-N 3.38Å; S518-E522 WeakPolarHBondContact O-CB 3.27Å; S518-E522 PolarHBondContact O-N 2.98Å; S518-I550 WeakPolarHBondContact CB-O 3.32Å; S518-I550 PolarHBondContact N-O 3.3Å
519F85.9Confident80.9Confident148 Ų14864.4 Ų64.465%0.64937%0.365SS*.Hα-helixtrans-67.7-34.8179.6-64.1-74.3000112.8S517 A523S517-F519 PolarHBondContact O-N 3.38Å; F519-A523 WeakPolarHBondContact O-CB 3.44Å; F519-A523 PolarHBondContact O-N 3.07Å
520Q87.9Confident82.2Confident64 Ų6468 Ų6830%0.29937%0.366SS..Hα-helixtrans-68.8-46.2176.8-173.3179.15.600110.1P515 S516 S517 S518 E522 A523 D524P515-Q520 HydrophobicContact CB-CB 4.29Å; P515-Q520 HydrophobicContact CB-CG 4.28Å; S516-Q520 VanDerWaalsContact N-OE1 3.08Å; S516-Q520 PolarHBondContact OG-OE1 3.34Å; S517-Q520 WeakPolarHBondContact O-CB 3.46Å; S517-Q520 PolarHBondContact O-N 2.83Å; S517-Q520 VanDerWaalsContact O-N 3.1Å; S518-Q520 VanDerWaalsContact C-N 3.35Å; S518-Q520 PolarHBondContact O-N 3.44Å; Q520-E522 VanDerWaalsContact C-N 3.31Å; Q520-E522 PolarHBondContact O-N 3.14Å; Q520-A523 PolarHBondContact O-N 3.36Å; Q520-D524 WeakPolarHBondContact O-CB 3.37Å; Q520-D524 PolarHBondContact O-N 3.17Å
521L88.6Confident83.4Confident0 Ų067 Ų670%036%0.357CS..Hα-helixtrans-56.5-46.3174.917670.1000111.1P515 S517 S518 D524 L525 Y538 L539 I542 I550 F551 L559P515-L521 HydrophobicContact CB-CB 3.89Å; P515-L521 HydrophobicContact CG-CB 4Å; P515-L521 HydrophobicContact CG-CD1 3.77Å; P515-L521 HydrophobicContact CG-CG 4.45Å; S517-L521 PolarHBondContact O-N 3.5Å; S517-L521 VanDerWaalsContact O-N 3.14Å; S518-L521 PolarHBondContact O-N 3.38Å; L521-D524 PolarHBondContact O-N 3.32Å; L521-L525 HydrophobicContact CD1-CD1 3.75Å; L521-L525 HydrophobicContact CD1-CG 4.22Å; L521-L525 HydrophobicContact CG-CD1 3.82Å; L521-L525 WeakPolarHBondContact O-CB 3.47Å; L521-L525 VanDerWaalsContact O-CG 3.23Å; L521-L525 WeakPolarHBondContact O-CG 3.33Å; L521-L525 PolarHBondContact O-N 3.25Å; L521-Y538 HydrophobicContact CD1-CE1 3.82Å; L521-L539 HydrophobicContact CD1-CD2 4.2Å; L521-I542 HydrophobicContact CD1-CD1 3.57Å; L521-I550 HydrophobicContact CB-CG2 4.41Å; L521-I550 HydrophobicContact CD2-CG2 4.05Å; L521-F551 HydrophobicContact CD2-CE1 3.72Å; L521-F551 HydrophobicContact CD2-CE2 4.23Å; L521-F551 HydrophobicContact CD2-CZ 3.33Å; L521-L559 HydrophobicContact CD2-CD2 4.32Å
522E88.6Confident83.9Confident34 Ų3468.8 Ų68.816%0.15937%0.369CS..Hα-helixtrans-65.3-45.2-179.3-161.4-151.6145.400112.3S518 Q520 D524 L525 R526S518-E522 WeakPolarHBondContact O-CB 3.27Å; S518-E522 PolarHBondContact O-N 2.98Å; Q520-E522 VanDerWaalsContact C-N 3.31Å; Q520-E522 PolarHBondContact O-N 3.14Å; E522-D524 VanDerWaalsContact C-N 3.34Å; E522-D524 PolarHBondContact O-N 3.29Å; E522-L525 PolarHBondContact O-N 3.09Å; E522-R526 WeakPolarHBondContact O-CB 3.41Å; E522-R526 WeakPolarHBondContact O-CG 3.22Å; E522-R526 PolarHBondContact O-N 3.26Å; E522-R526 IonicContact OE1-CZ 2.83Å; E522-R526 IonicContact OE1-NE 3.57Å; E522-R526 PolarHBondContact OE1-NE 3.42Å; E522-R526 IonicContact OE1-NH2 3.91Å; E522-R526 PolarHBondContact OE1-NH2 2.98Å; E522-R526 IonicContact OE2-NH2 3.86Å; E522-R526 PolarHBondContact OE2-NH2 3.31Å
523A87.1Confident84.3Confident35 Ų3572.8 Ų72.829%0.28939%0.385SS..Hα-helixtrans-63-41178.300000112.1F519 Q520 R526 K527F519-A523 WeakPolarHBondContact O-CB 3.44Å; F519-A523 PolarHBondContact O-N 3.07Å; Q520-A523 PolarHBondContact O-N 3.36Å; A523-R526 PolarHBondContact O-N 3.43Å; A523-K527 WeakPolarHBondContact O-CG 3.45Å; A523-K527 PolarHBondContact O-N 2.89Å; A523-K527 VanDerWaalsContact O-N 3.15Å
524D87.9Confident84.5Confident13 Ų1368.6 Ų68.67%0.0736%0.359CS..Hα-helixtrans-72.3-38.9179.7-70.3-18000111.3P512 Q520 L521 E522 R526 K527 L528 Y538P512-D524 HydrophobicContact CG-CB 3.99Å; Q520-D524 WeakPolarHBondContact O-CB 3.37Å; Q520-D524 PolarHBondContact O-N 3.17Å; L521-D524 PolarHBondContact O-N 3.32Å; E522-D524 VanDerWaalsContact C-N 3.34Å; E522-D524 PolarHBondContact O-N 3.29Å; D524-R526 PolarHBondContact O-N 3.03Å; D524-K527 PolarHBondContact O-N 3.5Å; D524-K527 IonicContact OD1-NZ 2.82Å; D524-K527 PolarHBondContact OD1-NZ 3.29Å; D524-L528 WeakPolarHBondContact O-CB 3.45Å; D524-L528 VanDerWaalsContact O-CG 3.28Å; D524-L528 WeakPolarHBondContact O-CG 3.47Å; D524-L528 PolarHBondContact O-N 3.01Å; D524-Y538 HydrophobicContact CB-CE1 3.8Å; D524-Y538 WeakPolarHBondContact CB-OH 3.4Å; D524-Y538 PolarHBondContact OD2-OH 3.07Å
525L86.1Confident85Confident1 Ų165.9 Ų65.91%0.00534%0.336CS..Hα-helixtrans-67-33.3173-72.6172.6000113L521 E522 L528 S529 V535 Y538 L539 L559L521-L525 HydrophobicContact CD1-CD1 3.75Å; L521-L525 HydrophobicContact CD1-CG 4.22Å; L521-L525 HydrophobicContact CG-CD1 3.82Å; L521-L525 WeakPolarHBondContact O-CB 3.47Å; L521-L525 VanDerWaalsContact O-CG 3.23Å; L521-L525 WeakPolarHBondContact O-CG 3.33Å; L521-L525 PolarHBondContact O-N 3.25Å; E522-L525 PolarHBondContact O-N 3.09Å; L525-L528 PolarHBondContact O-N 3.49Å; L525-S529 WeakPolarHBondContact O-CA 3.48Å; L525-S529 WeakPolarHBondContact O-CB 3.48Å; L525-S529 PolarHBondContact O-N 3.38Å; L525-V535 HydrophobicContact CD2-CB 4.4Å; L525-V535 HydrophobicContact CD2-CG1 3.58Å; L525-V535 HydrophobicContact CD2-CG2 4.21Å; L525-Y538 HydrophobicContact CD2-CD1 4.05Å; L525-Y538 HydrophobicContact CG-CD1 4.4Å; L525-Y538 HydrophobicContact CG-CE1 4.38Å; L525-L539 HydrophobicContact CD1-CD2 4.42Å; L525-L539 HydrophobicContact CD2-CD2 4.39Å; L525-L539 HydrophobicContact CD2-CG 4.48Å; L525-L559 HydrophobicContact CD1-CD1 3.32Å
526R86.1Confident85.1Confident159 Ų15966.6 Ų66.660%0.634%0.338SS*.Hα-helixtrans-64-41.5171.8-80.2-165-105.1139.9-6.9111.6E522 A523 D524 S529E522-R526 WeakPolarHBondContact O-CB 3.41Å; E522-R526 WeakPolarHBondContact O-CG 3.22Å; E522-R526 PolarHBondContact O-N 3.26Å; E522-R526 IonicContact OE1-CZ 2.83Å; E522-R526 IonicContact OE1-NE 3.57Å; E522-R526 PolarHBondContact OE1-NE 3.42Å; E522-R526 IonicContact OE1-NH2 3.91Å; E522-R526 PolarHBondContact OE1-NH2 2.98Å; E522-R526 IonicContact OE2-NH2 3.86Å; E522-R526 PolarHBondContact OE2-NH2 3.31Å; A523-R526 PolarHBondContact O-N 3.43Å; D524-R526 PolarHBondContact O-N 3.03Å; R526-S529 WeakPolarHBondContact O-CB 3.44Å; R526-S529 PolarHBondContact O-OG 3.23Å
527K86Confident85.4Confident154 Ų15468.2 Ų68.267%0.6733%0.329SS*.Hα-helixtrans-65.9-42.3175.3-68.1168.3-167.4161.80112.2A523 D524A523-K527 WeakPolarHBondContact O-CG 3.45Å; A523-K527 PolarHBondContact O-N 2.89Å; A523-K527 VanDerWaalsContact O-N 3.15Å; D524-K527 PolarHBondContact O-N 3.5Å; D524-K527 IonicContact OD1-NZ 2.82Å; D524-K527 PolarHBondContact OD1-NZ 3.29Å
528L83.4Confident85.4Confident21 Ų2166 Ų6611%0.1131%0.313CS..Hα-helixtrans-85.7-6-176.4-63.6173.5000113.8P512 D524 L525 K530 Q531 A534 V535 Y538P512-L528 HydrophobicContact CG-CD1 4.02Å; D524-L528 WeakPolarHBondContact O-CB 3.45Å; D524-L528 VanDerWaalsContact O-CG 3.28Å; D524-L528 WeakPolarHBondContact O-CG 3.47Å; D524-L528 PolarHBondContact O-N 3.01Å; L525-L528 PolarHBondContact O-N 3.49Å; L528-K530 PolarHBondContact O-N 3.32Å; L528-Q531 PolarHBondContact O-N 3.2Å; L528-A534 HydrophobicContact CD2-CB 4.1Å; L528-V535 HydrophobicContact CB-CG2 3.86Å; L528-V535 WeakPolarHBondContact O-CG2 3.49Å; L528-Y538 HydrophobicContact CD1-CD1 4.24Å; L528-Y538 HydrophobicContact CD1-CG 4.13Å
529S73.4Confident85.5Confident68 Ų6864.9 Ų64.948%0.47631%0.305SS..THydrogen-bonded Turntrans-51.7-26.6-174.959.30000114.9L525 R526L525-S529 WeakPolarHBondContact O-CA 3.48Å; L525-S529 WeakPolarHBondContact O-CB 3.48Å; L525-S529 PolarHBondContact O-N 3.38Å; R526-S529 WeakPolarHBondContact O-CB 3.44Å; R526-S529 PolarHBondContact O-OG 3.23Å
530K79.9Confident85.7Confident190 Ų19065 Ų6583%0.82630%0.301SS*.THydrogen-bonded Turntrans-78.3-15.5177.6-64-177.2179.9179.20114.2L528L528-K530 PolarHBondContact O-N 3.32Å
531Q84.9Confident85.6Confident115 Ų11566.1 Ų66.154%0.53731%0.307SS..  trans-123.195-174.9-68.1-176.2-2.400110.9L528 E533 A534 V535L528-Q531 PolarHBondContact O-N 3.2Å; Q531-E533 VanDerWaalsContact C-N 3.31Å; Q531-E533 PolarHBondContact O-N 3.47Å; Q531-A534 HydrophobicContact CB-CB 3.79Å; Q531-A534 PolarHBondContact O-N 3.15Å; Q531-A534 VanDerWaalsContact O-N 3.14Å; Q531-V535 PolarHBondContact O-N 3.35Å; Q531-V535 VanDerWaalsContact O-N 3.16Å
532P82.6Confident85.5Confident76 Ų7666.8 Ų66.849%0.49431%0.31SS..Hα-helixtrans-65-32.6-173.426.1-34.5000113.2V535 Y536 F570P532-V535 PolarHBondContact O-N 3.35Å; P532-Y536 PolarHBondContact O-N 3.02Å; P532-F570 HydrophobicContact CB-CE2 3.82Å; P532-F570 HydrophobicContact CB-CZ 3.87Å; P532-F570 HydrophobicContact CG-CZ 4.37Å
533E84.2Confident85.3Confident112 Ų11268 Ų6852%0.52332%0.322SS..Hα-helixtrans-69-33.5175.5-64.8-179.9-169.900113.1Q531 Y536 R537 F570Q531-E533 VanDerWaalsContact C-N 3.31Å; Q531-E533 PolarHBondContact O-N 3.47Å; E533-Y536 PolarHBondContact O-N 2.86Å; E533-R537 WeakPolarHBondContact O-CG 3.49Å; E533-R537 PolarHBondContact O-N 3.48Å; E533-R537 IonicContact OE2-NH1 3.37Å; E533-F570 HydrophobicContact CG-CE1 3.98Å; E533-F570 HydrophobicContact CG-CZ 4.25Å
534A85.6Confident85.1Confident8 Ų867.8 Ų67.87%0.06632%0.318CS..Hα-helixtrans-71.7-38.117700000110.9L528 Q531 R537 Y538L528-A534 HydrophobicContact CD2-CB 4.1Å; Q531-A534 HydrophobicContact CB-CB 3.79Å; Q531-A534 PolarHBondContact O-N 3.15Å; Q531-A534 VanDerWaalsContact O-N 3.14Å; A534-R537 PolarHBondContact O-N 3.2Å; A534-Y538 WeakPolarHBondContact O-CB 3.48Å; A534-Y538 PolarHBondContact O-N 3.13Å
535V87.3Confident84.9Confident2 Ų270.6 Ų70.61%0.01234%0.339CS..Hα-helixtrans-61-44.2172.31750000111.1L525 L528 Q531 P532 Y538 L539 T566L525-V535 HydrophobicContact CD2-CB 4.4Å; L525-V535 HydrophobicContact CD2-CG1 3.58Å; L525-V535 HydrophobicContact CD2-CG2 4.21Å; L528-V535 HydrophobicContact CB-CG2 3.86Å; L528-V535 WeakPolarHBondContact O-CG2 3.49Å; Q531-V535 PolarHBondContact O-N 3.35Å; Q531-V535 VanDerWaalsContact O-N 3.16Å; P532-V535 PolarHBondContact O-N 3.35Å; V535-Y538 PolarHBondContact O-N 3.02Å; V535-L539 HydrophobicContact CG1-CD1 3.82Å; V535-L539 HydrophobicContact CG1-CG 4.23Å; V535-L539 WeakPolarHBondContact O-CB 3.26Å; V535-L539 WeakPolarHBondContact O-CG 3.39Å; V535-L539 PolarHBondContact O-N 3.01Å; V535-T566 HydrophobicContact CB-CG2 4.37Å; V535-T566 HydrophobicContact CG1-CG2 3.55Å
536Y88.7Confident84.8Confident26 Ų2671.5 Ų71.510%0.10235%0.346CS..Hα-helixtrans-58.1-50.3174.2166.3-109.4000112P532 E533 Y538 L539 R540 F570 F571 N574P532-Y536 PolarHBondContact O-N 3.02Å; E533-Y536 PolarHBondContact O-N 2.86Å; Y536-Y538 PolarHBondContact O-N 3.4Å; Y536-L539 PolarHBondContact O-N 3.19Å; Y536-R540 VanDerWaalsContact O-CB 3.32Å; Y536-R540 WeakPolarHBondContact O-CB 3.35Å; Y536-R540 PolarHBondContact O-N 3.04Å; Y536-F570 HydrophobicContact CD1-CB 4.39Å; Y536-F570 HydrophobicContact CD2-CB 3.34Å; Y536-F570 HydrophobicContact CD2-CG 4.16Å; Y536-F570 HydrophobicContact CE2-CB 3.87Å; Y536-F570 HydrophobicContact CG-CB 3.64Å; Y536-F570 HydrophobicContact CG-CD1 4.28Å; Y536-F570 AromaticContact CG-CG 3.96Å; Y536-F570 HydrophobicContact CG-CG 3.96Å; Y536-F571 AromaticContact CD2-CD2 3.7Å; Y536-F571 HydrophobicContact CD2-CD2 3.7Å; Y536-F571 AromaticContact CD2-CE2 3.48Å; Y536-F571 HydrophobicContact CD2-CE2 3.48Å; Y536-F571 VanDerWaalsContact CD2-CE2 3.48Å; Y536-F571 HydrophobicContact CD2-CZ 4.32Å; Y536-F571 AromaticContact CE2-CD2 3.69Å; Y536-F571 HydrophobicContact CE2-CD2 3.69Å; Y536-F571 AromaticContact CE2-CE2 3.62Å; Y536-F571 HydrophobicContact CE2-CE2 3.62Å; Y536-F571 HydrophobicContact CE2-CG 4.28Å; Y536-F571 HydrophobicContact CE2-CZ 4.15Å; Y536-N574 VanDerWaalsContact OH-CB 3.24Å; Y536-N574 WeakPolarHBondContact OH-CB 3.45Å
537R86.6Confident84.9Confident133 Ų13364.2 Ų64.250%0.50232%0.318SS..Hα-helixtrans-60.4-35.4178.2-71.4-173.2-172.295.61.3112.5V511 E533 A534 Q541V511-R537 HydrophobicContact CG2-CB 4.11Å; E533-R537 WeakPolarHBondContact O-CG 3.49Å; E533-R537 PolarHBondContact O-N 3.48Å; E533-R537 IonicContact OE2-NH1 3.37Å; A534-R537 PolarHBondContact O-N 3.2Å; R537-Q541 WeakPolarHBondContact O-CG 3.48Å
538Y88.7Confident84.7Confident0 Ų059.5 Ų59.50%031%0.305CS..Hα-helixtrans-72-48.8178.2-175.2-123.3000112.4V511 P512 P513 P515 L521 D524 L525 L528 A534 V535 Y536 R540 Q541V511-Y538 HydrophobicContact CG1-CD2 3.77Å; V511-Y538 HydrophobicContact CG1-CG 4.22Å; P512-Y538 HydrophobicContact CB-CE2 4.19Å; P512-Y538 HydrophobicContact CG-CD2 3.89Å; P512-Y538 HydrophobicContact CG-CE2 3.66Å; P512-Y538 WeakPolarHBondContact O-CD2 3.44Å; P512-Y538 WeakPolarHBondContact O-CE2 3.43Å; P513-Y538 WeakPolarHBondContact O-CE2 3.27Å; P515-Y538 WeakPolarHBondContact CB-OH 3.46Å; P515-Y538 HydrophobicContact CG-CE1 4.49Å; P515-Y538 WeakPolarHBondContact CG-OH 3.42Å; L521-Y538 HydrophobicContact CD1-CE1 3.82Å; D524-Y538 HydrophobicContact CB-CE1 3.8Å; D524-Y538 WeakPolarHBondContact CB-OH 3.4Å; D524-Y538 PolarHBondContact OD2-OH 3.07Å; L525-Y538 HydrophobicContact CD2-CD1 4.05Å; L525-Y538 HydrophobicContact CG-CD1 4.4Å; L525-Y538 HydrophobicContact CG-CE1 4.38Å; L528-Y538 HydrophobicContact CD1-CD1 4.24Å; L528-Y538 HydrophobicContact CD1-CG 4.13Å; A534-Y538 WeakPolarHBondContact O-CB 3.48Å; A534-Y538 PolarHBondContact O-N 3.13Å; V535-Y538 PolarHBondContact O-N 3.02Å; Y536-Y538 PolarHBondContact O-N 3.4Å; Y538-R540 PolarHBondContact O-N 3.42Å; Y538-Q541 WeakPolarHBondContact O-CB 3.43Å; Y538-Q541 PolarHBondContact O-N 3.23Å
539L87.1Confident84.8Confident3 Ų365.1 Ų65.12%0.01633%0.331CS..Hα-helixtrans-64.1-30.6177.7-69176.1000112.2L521 L525 V535 Y536 Q541 I542 I563 T566L521-L539 HydrophobicContact CD1-CD2 4.2Å; L525-L539 HydrophobicContact CD1-CD2 4.42Å; L525-L539 HydrophobicContact CD2-CD2 4.39Å; L525-L539 HydrophobicContact CD2-CG 4.48Å; V535-L539 HydrophobicContact CG1-CD1 3.82Å; V535-L539 HydrophobicContact CG1-CG 4.23Å; V535-L539 WeakPolarHBondContact O-CB 3.26Å; V535-L539 WeakPolarHBondContact O-CG 3.39Å; V535-L539 PolarHBondContact O-N 3.01Å; Y536-L539 PolarHBondContact O-N 3.19Å; L539-Q541 PolarHBondContact O-N 3.29Å; L539-I542 HydrophobicContact CD2-CD1 4.01Å; L539-I542 WeakPolarHBondContact O-CB 3.37Å; L539-I542 PolarHBondContact O-N 3.37Å; L539-I542 VanDerWaalsContact O-N 3.08Å; L539-I563 HydrophobicContact CD1-CG1 4.38Å; L539-I563 HydrophobicContact CD2-CG1 4.36Å; L539-T566 HydrophobicContact CD1-CG2 4.29Å; L539-T566 WeakPolarHBondContact CD1-OG1 3.37Å
540R88.1Confident85.4Confident151 Ų15162.4 Ų62.457%0.5731%0.311SS*.THydrogen-bonded Turntrans-62.7-24.7173.4-169.3180-172.8-142.20.5113.6Y536 Y538 I542 E575Y536-R540 VanDerWaalsContact O-CB 3.32Å; Y536-R540 WeakPolarHBondContact O-CB 3.35Å; Y536-R540 PolarHBondContact O-N 3.04Å; Y538-R540 PolarHBondContact O-N 3.42Å; R540-I542 PolarHBondContact O-N 2.91Å; R540-E575 IonicContact CZ-OE1 3.04Å; R540-E575 VanDerWaalsContact CZ-OE1 3.31Å; R540-E575 IonicContact NE-OE1 2.81Å; R540-E575 PolarHBondContact NE-OE1 3.24Å; R540-E575 IonicContact NH2-OE1 3.3Å; R540-E575 PolarHBondContact NH2-OE1 3.18Å
541Q87.6Confident85.7Confident88 Ų8853.5 Ų53.541%0.41127%0.272SS..THydrogen-bonded Turntrans-73.1-16.6175.7-6217711.200112.5P512 R537 Y538 L539P512-Q541 PolarHBondContact O-OE1 2.95Å; R537-Q541 WeakPolarHBondContact O-CG 3.48Å; Y538-Q541 WeakPolarHBondContact O-CB 3.43Å; Y538-Q541 PolarHBondContact O-N 3.23Å; L539-Q541 PolarHBondContact O-N 3.29Å
542I86.3Confident85.6Confident13 Ų1354 Ų547%0.06727%0.274CS..SBendtrans-89.8121.4-176.6-53177.1000108.4P515 L521 L539 R540 A546 Y547 I550P515-I542 HydrophobicContact CG-CD1 3.7Å; P515-I542 HydrophobicContact CG-CG1 4.12Å; L521-I542 HydrophobicContact CD1-CD1 3.57Å; L539-I542 HydrophobicContact CD2-CD1 4.01Å; L539-I542 WeakPolarHBondContact O-CB 3.37Å; L539-I542 PolarHBondContact O-N 3.37Å; L539-I542 VanDerWaalsContact O-N 3.08Å; R540-I542 PolarHBondContact O-N 2.91Å; I542-A546 HydrophobicContact CG2-CB 3.96Å; I542-Y547 HydrophobicContact CB-CE2 4.26Å; I542-Y547 HydrophobicContact CD1-CE1 4.29Å; I542-Y547 HydrophobicContact CG2-CD1 4.3Å; I542-Y547 HydrophobicContact CG2-CD2 4.09Å; I542-Y547 HydrophobicContact CG2-CE1 4.07Å; I542-Y547 HydrophobicContact CG2-CE2 3.81Å; I542-Y547 HydrophobicContact CG2-CG 4.34Å; I542-I550 HydrophobicContact CG2-CD1 3.77Å
543S82.8Confident85.3Confident60 Ų6054.1 Ų54.142%0.4227%0.271SS..  trans-70.4145.817358.60000110.8S545 A546S543-S545 VanDerWaalsContact C-N 3.25Å; S543-S545 PolarHBondContact O-N 3.46Å; S543-S545 VanDerWaalsContact O-N 3.15Å; S543-A546 VanDerWaalsContact O-CB 3.28Å; S543-A546 WeakPolarHBondContact O-CB 3.38Å; S543-A546 PolarHBondContact O-N 3.35Å; S543-A546 WeakPolarHBondContact OG-CB 3.32Å
544P83.9Confident85.1Confident30 Ų3051.2 Ų51.220%0.19526%0.263CS..Hα-helixtrans-51.5-41.6-179-30.236000113.8A546 Y547 E582 C586P544-A546 VanDerWaalsContact C-N 3.27Å; P544-A546 PolarHBondContact O-N 2.81Å; P544-Y547 PolarHBondContact O-N 3.35Å; P544-E582 HydrophobicContact CB-CB 3.84Å; P544-E582 HydrophobicContact CG-CB 4.24Å; P544-C586 VanDerWaalsContact O-CB 3.22Å; P544-C586 WeakPolarHBondContact O-CB 3.46Å; P544-C586 PolarHBondContact O-SG 3.26Å
545S82.9Confident85.1Confident73 Ų7351.2 Ų51.251%0.5126%0.262SS..Hα-helixtrans-63.3-29.7177.350.90000113.9S543 Y547 S548S543-S545 VanDerWaalsContact C-N 3.25Å; S543-S545 PolarHBondContact O-N 3.46Å; S543-S545 VanDerWaalsContact O-N 3.15Å; S545-Y547 VanDerWaalsContact C-N 3.28Å; S545-Y547 PolarHBondContact O-N 2.76Å; S545-S548 PolarHBondContact O-N 2.62Å; S545-S548 PolarHBondContact O-OG 2.81Å
546A85.7Confident85.2Confident19 Ų1955.1 Ų55.116%0.15728%0.28CS..Hα-helixtrans-69.3-26.3-177.600000112.1I542 S543 P544 S548 Q549 I550I542-A546 HydrophobicContact CG2-CB 3.96Å; S543-A546 VanDerWaalsContact O-CB 3.28Å; S543-A546 WeakPolarHBondContact O-CB 3.38Å; S543-A546 PolarHBondContact O-N 3.35Å; S543-A546 WeakPolarHBondContact OG-CB 3.32Å; P544-A546 VanDerWaalsContact C-N 3.27Å; P544-A546 PolarHBondContact O-N 2.81Å; A546-S548 PolarHBondContact O-N 3.41Å; A546-Q549 CarbonylContact O-C 3.59Å; A546-Q549 PolarHBondContact O-N 3.01Å; A546-I550 HydrophobicContact CB-CD1 4.06Å; A546-I550 WeakPolarHBondContact O-CB 3.45Å; A546-I550 VanDerWaalsContact O-CG1 3.22Å; A546-I550 WeakPolarHBondContact O-CG1 3.16Å; A546-I550 PolarHBondContact O-N 3.41Å
547Y86.5Confident85.1Confident6 Ų656.1 Ų56.12%0.02429%0.289CS..Hα-helixtrans-57.9-37.8177.4-76.2-71.2000112.8I542 P544 S545 Q549 F551 I563 T583 L587I542-Y547 HydrophobicContact CB-CE2 4.26Å; I542-Y547 HydrophobicContact CD1-CE1 4.29Å; I542-Y547 HydrophobicContact CG2-CD1 4.3Å; I542-Y547 HydrophobicContact CG2-CD2 4.09Å; I542-Y547 HydrophobicContact CG2-CE1 4.07Å; I542-Y547 HydrophobicContact CG2-CE2 3.81Å; I542-Y547 HydrophobicContact CG2-CG 4.34Å; P544-Y547 PolarHBondContact O-N 3.35Å; S545-Y547 VanDerWaalsContact C-N 3.28Å; S545-Y547 PolarHBondContact O-N 2.76Å; Y547-Q549 VanDerWaalsContact C-N 3.33Å; Y547-Q549 PolarHBondContact O-N 3.04Å; Y547-F551 HydrophobicContact CD1-CD2 4.34Å; Y547-F551 AromaticContact CD1-CE2 3.7Å; Y547-F551 HydrophobicContact CD1-CE2 3.7Å; Y547-F551 HydrophobicContact CE1-CE2 4.43Å; Y547-F551 VanDerWaalsContact O-CD2 3.23Å; Y547-F551 WeakPolarHBondContact O-CD2 3.3Å; Y547-F551 PolarHBondContact O-N 2.65Å; Y547-F551 VanDerWaalsContact O-N 3.17Å; Y547-I563 HydrophobicContact CE1-CD1 4.29Å; Y547-T583 HydrophobicContact CD2-CG2 3.9Å; Y547-T583 HydrophobicContact CE2-CG2 3.59Å; Y547-L587 HydrophobicContact CD1-CD2 4.18Å; Y547-L587 HydrophobicContact CG-CD2 4.4Å
548S82.9Confident85.1Confident55 Ų5556 Ų5639%0.38530%0.299SS..Hα-helixtrans-66.7-36.2176.669.90000112.4S545 A546 Q552S545-S548 PolarHBondContact O-N 2.62Å; S545-S548 PolarHBondContact O-OG 2.81Å; A546-S548 PolarHBondContact O-N 3.41Å; S548-Q552 PolarHBondContact O-N 2.99Å; S548-Q552 VanDerWaalsContact O-N 3.17Å
549Q85.6Confident85.1Confident139 Ų13956.6 Ų56.665%0.6530%0.302SS*.Hα-helixtrans-78.5-32179.3-64.1-174.9-9.300113.3A546 Y547 Q552A546-Q549 CarbonylContact O-C 3.59Å; A546-Q549 PolarHBondContact O-N 3.01Å; Y547-Q549 VanDerWaalsContact C-N 3.33Å; Y547-Q549 PolarHBondContact O-N 3.04Å; Q549-Q552 WeakPolarHBondContact O-CG 3.3Å; Q549-Q552 PolarHBondContact O-NE2 3.35Å; Q549-Q552 VanDerWaalsContact O-NE2 3.12Å
550I86.4Confident85.3Confident11 Ų1156.5 Ų56.56%0.05630%0.301CS..Hα-helixtrans-72.4-45.1179.4-70.2164.8000109.9P515 S518 L521 I542 A546P515-I550 HydrophobicContact CG-CD1 4.33Å; S518-I550 WeakPolarHBondContact CB-O 3.32Å; S518-I550 PolarHBondContact N-O 3.3Å; L521-I550 HydrophobicContact CB-CG2 4.41Å; L521-I550 HydrophobicContact CD2-CG2 4.05Å; I542-I550 HydrophobicContact CG2-CD1 3.77Å; A546-I550 HydrophobicContact CB-CD1 4.06Å; A546-I550 WeakPolarHBondContact O-CB 3.45Å; A546-I550 VanDerWaalsContact O-CG1 3.22Å; A546-I550 WeakPolarHBondContact O-CG1 3.16Å; A546-I550 PolarHBondContact O-N 3.41Å
551F85.4Confident85.3Confident4 Ų452.5 Ų52.52%0.01829%0.287CS..Hα-helixtrans-87.1-28.7-174.6-68.1-54.3000114.9L521 Y547 N553 S554 L555 L559 I563 L587 V590L521-F551 HydrophobicContact CD2-CE1 3.72Å; L521-F551 HydrophobicContact CD2-CE2 4.23Å; L521-F551 HydrophobicContact CD2-CZ 3.33Å; Y547-F551 HydrophobicContact CD1-CD2 4.34Å; Y547-F551 AromaticContact CD1-CE2 3.7Å; Y547-F551 HydrophobicContact CD1-CE2 3.7Å; Y547-F551 HydrophobicContact CE1-CE2 4.43Å; Y547-F551 VanDerWaalsContact O-CD2 3.23Å; Y547-F551 WeakPolarHBondContact O-CD2 3.3Å; Y547-F551 PolarHBondContact O-N 2.65Å; Y547-F551 VanDerWaalsContact O-N 3.17Å; F551-N553 VanDerWaalsContact C-N 3.35Å; F551-N553 PolarHBondContact O-N 3.05Å; F551-S554 PolarHBondContact O-N 2.88Å; F551-L555 HydrophobicContact CD1-CD1 3.89Å; F551-L555 HydrophobicContact CD2-CD1 3.88Å; F551-L555 HydrophobicContact CE1-CD1 3.82Å; F551-L555 HydrophobicContact CE2-CD1 3.72Å; F551-L555 HydrophobicContact CG-CD1 3.95Å; F551-L555 HydrophobicContact CZ-CD1 3.71Å; F551-L559 HydrophobicContact CD1-CD2 4.41Å; F551-L559 HydrophobicContact CE1-CD2 3.26Å; F551-L559 HydrophobicContact CE1-CG 4.38Å; F551-L559 HydrophobicContact CZ-CD2 3.55Å; F551-L559 HydrophobicContact CZ-CG 4.25Å; F551-I563 HydrophobicContact CE2-CD1 4.23Å; F551-I563 HydrophobicContact CZ-CD1 4.03Å; F551-L587 HydrophobicContact CD2-CD2 4.06Å; F551-L587 HydrophobicContact CE2-CD2 3.77Å; F551-V590 HydrophobicContact CB-CG1 4.03Å; F551-V590 HydrophobicContact CB-CG2 3.93Å
552Q81.9Confident85.4Confident125 Ų12550.7 Ų50.758%0.58428%0.278SS*.THydrogen-bonded Turntrans43.2-85.1178.2-53.4-176.65.300114.8S548 Q549S548-Q552 PolarHBondContact O-N 2.99Å; S548-Q552 VanDerWaalsContact O-N 3.17Å; Q549-Q552 WeakPolarHBondContact O-CG 3.3Å; Q549-Q552 PolarHBondContact O-NE2 3.35Å; Q549-Q552 VanDerWaalsContact O-NE2 3.12Å
553N77.1Confident85.6Confident78 Ų7850 Ų5042%0.41728%0.275SS..THydrogen-bonded Turntrans-104.8-17.9-174.1-66-42.8000114.3F551 R591 R592F551-N553 VanDerWaalsContact C-N 3.35Å; F551-N553 PolarHBondContact O-N 3.05Å; N553-R591 WeakPolarHBondContact OD1-CD 3.39Å; N553-R591 PolarHBondContact OD1-NH1 2.72Å; N553-R592 WeakPolarHBondContact O-CD 3.43Å; N553-R592 WeakPolarHBondContact O-CG 3.35Å
554S80.1Confident86Confident51 Ų5147.2 Ų47.236%0.35726%0.255SS..  trans-144.2123.9-171.9-157.50000112.5F551F551-S554 PolarHBondContact O-N 2.88Å
555L86.1Confident86.3Confident8 Ų851.5 Ų51.54%0.04227%0.268CS..  trans-120120171176.865.3000107.5F551 L560 L587 V590 F593 A596F551-L555 HydrophobicContact CD1-CD1 3.89Å; F551-L555 HydrophobicContact CD2-CD1 3.88Å; F551-L555 HydrophobicContact CE1-CD1 3.82Å; F551-L555 HydrophobicContact CE2-CD1 3.72Å; F551-L555 HydrophobicContact CG-CD1 3.95Å; F551-L555 HydrophobicContact CZ-CD1 3.71Å; L555-L560 HydrophobicContact CD1-CB 4.46Å; L555-L560 HydrophobicContact CD2-CB 4.22Å; L555-L560 HydrophobicContact CD2-CD1 4.2Å; L555-L560 HydrophobicContact CD2-CD2 4.24Å; L555-L560 HydrophobicContact CD2-CG 4.44Å; L555-L560 HydrophobicContact CG-CB 4.29Å; L555-L587 HydrophobicContact CD2-CD2 4.45Å; L555-V590 HydrophobicContact CB-CG1 4.13Å; L555-F593 HydrophobicContact CD2-CD2 4.16Å; L555-A596 HydrophobicContact CD2-CB 4.48Å; L555-A596 HydrophobicContact CG-CB 4.49Å
556E87.9Confident86.6Confident85 Ų8548.5 Ų48.540%0.39725%0.246SC..  trans-80.6142.6178.9-65.1-171.6165.700111.2D558 L559 L560E556-D558 PolarHBondContact O-N 3.36Å; E556-L559 HydrophobicContact CB-CB 4.32Å; E556-L559 PolarHBondContact O-N 2.81Å; E556-L560 PolarHBondContact O-N 2.82Å; E556-L560 VanDerWaalsContact O-N 3.08Å
557P87.6Confident86.8Confident46 Ų4647.7 Ų47.730%0.29924%0.239SC..Hα-helixtrans-61-42.5-176.8-21.131000113.8L559 L560 Y561 F599P557-L559 VanDerWaalsContact C-N 3.28Å; P557-L559 PolarHBondContact O-N 3.13Å; P557-L560 PolarHBondContact O-N 2.94Å; P557-Y561 PolarHBondContact O-N 3.37Å; P557-F599 HydrophobicContact CB-CB 4.02Å; P557-F599 HydrophobicContact CG-CB 3.91Å; P557-F599 HydrophobicContact CG-CD2 4.14Å; P557-F599 HydrophobicContact CG-CG 4.32Å
558D87.6Confident86.9Confident132 Ų13250.6 Ų50.671%0.70625%0.25SC*.Hα-helixtrans-62.8-38.3-179-66.7-26.4000111.7E556 Y561 Q562E556-D558 PolarHBondContact O-N 3.36Å; D558-Y561 PolarHBondContact O-N 2.91Å; D558-Q562 PolarHBondContact O-N 3.08Å
559L88.4Confident87.1Confident11 Ų1151.3 Ų51.36%0.05825%0.25CC..Hα-helixtrans-69.3-44.1178-172.265000111.6L521 L525 F551 E556 P557 Y561 Q562 I563L521-L559 HydrophobicContact CD2-CD2 4.32Å; L525-L559 HydrophobicContact CD1-CD1 3.32Å; F551-L559 HydrophobicContact CD1-CD2 4.41Å; F551-L559 HydrophobicContact CE1-CD2 3.26Å; F551-L559 HydrophobicContact CE1-CG 4.38Å; F551-L559 HydrophobicContact CZ-CD2 3.55Å; F551-L559 HydrophobicContact CZ-CG 4.25Å; E556-L559 HydrophobicContact CB-CB 4.32Å; E556-L559 PolarHBondContact O-N 2.81Å; P557-L559 VanDerWaalsContact C-N 3.28Å; P557-L559 PolarHBondContact O-N 3.13Å; L559-Y561 VanDerWaalsContact C-N 3.29Å; L559-Y561 PolarHBondContact O-N 3.35Å; L559-Q562 PolarHBondContact O-N 3.44Å; L559-I563 HydrophobicContact CG-CD1 4.2Å; L559-I563 VanDerWaalsContact O-CG1 3.28Å; L559-I563 WeakPolarHBondContact O-CG1 3.02Å; L559-I563 PolarHBondContact O-N 3.12Å
560L89.9Confident87.1Confident1 Ų146.7 Ų46.71%0.00523%0.228CC..Hα-helixtrans-57.3-45.2173.4174.359.3000110.4L555 E556 P557 I563 L564 L587 F593 A596 M600L555-L560 HydrophobicContact CD1-CB 4.46Å; L555-L560 HydrophobicContact CD2-CB 4.22Å; L555-L560 HydrophobicContact CD2-CD1 4.2Å; L555-L560 HydrophobicContact CD2-CD2 4.24Å; L555-L560 HydrophobicContact CD2-CG 4.44Å; L555-L560 HydrophobicContact CG-CB 4.29Å; E556-L560 PolarHBondContact O-N 2.82Å; E556-L560 VanDerWaalsContact O-N 3.08Å; P557-L560 PolarHBondContact O-N 2.94Å; L560-I563 PolarHBondContact O-N 3.41Å; L560-L564 HydrophobicContact CD1-CD1 3.99Å; L560-L564 HydrophobicContact CD1-CD2 4.49Å; L560-L564 HydrophobicContact CD1-CG 4.03Å; L560-L564 HydrophobicContact CG-CD1 3.98Å; L560-L564 HydrophobicContact CG-CG 4.43Å; L560-L564 VanDerWaalsContact O-CG 3.24Å; L560-L564 WeakPolarHBondContact O-CG 3.47Å; L560-L564 PolarHBondContact O-N 3.16Å; L560-L587 HydrophobicContact CD1-CD1 4.19Å; L560-F593 HydrophobicContact CD2-CE2 4.45Å; L560-A596 HydrophobicContact CD2-CB 3.86Å; L560-M600 HydrophobicContact CD2-SD 4.48Å
561Y89.3Confident87Confident67 Ų6746.8 Ų46.826%0.26323%0.228SC..Hα-helixtrans-61.7-46.3177.2170.4-115.5000112.8P557 D558 L559 I563 L564 R565 D604P557-Y561 PolarHBondContact O-N 3.37Å; D558-Y561 PolarHBondContact O-N 2.91Å; L559-Y561 VanDerWaalsContact C-N 3.29Å; L559-Y561 PolarHBondContact O-N 3.35Å; Y561-I563 VanDerWaalsContact C-N 3.27Å; Y561-I563 PolarHBondContact O-N 2.84Å; Y561-L564 PolarHBondContact O-N 2.94Å; Y561-L564 VanDerWaalsContact O-N 3.17Å; Y561-R565 HydrophobicContact CE2-CB 4.45Å; Y561-R565 WeakPolarHBondContact O-CB 3.42Å; Y561-R565 PolarHBondContact O-N 3.15Å; Y561-D604 HydrophobicContact CD2-CB 4.03Å; Y561-D604 VanDerWaalsContact CD2-CG 3.49Å; Y561-D604 WeakPolarHBondContact CD2-OD1 3.42Å; Y561-D604 HydrophobicContact CE2-CB 4.44Å; Y561-D604 WeakPolarHBondContact CE2-OD1 3.38Å
562Q88.7Confident86.9Confident50 Ų5049.2 Ų49.223%0.23424%0.24CC..Hα-helixtrans-60.7-39178.7-169.2174.39.100111.7D558 L559 T566D558-Q562 PolarHBondContact O-N 3.08Å; L559-Q562 PolarHBondContact O-N 3.44Å; Q562-T566 WeakPolarHBondContact O-CG2 3.38Å; Q562-T566 PolarHBondContact O-N 3.19Å; Q562-T566 VanDerWaalsContact O-N 3.12Å; Q562-T566 PolarHBondContact O-OG1 3.15Å
563I90.3Very high86.8Confident0 Ų046.4 Ų46.40%025%0.245CC..Hα-helixtrans-65-48.4173.9-64.9165.8000110.4L539 Y547 F551 L559 L560 Y561 R565 T566 L567 L587L539-I563 HydrophobicContact CD1-CG1 4.38Å; L539-I563 HydrophobicContact CD2-CG1 4.36Å; Y547-I563 HydrophobicContact CE1-CD1 4.29Å; F551-I563 HydrophobicContact CE2-CD1 4.23Å; F551-I563 HydrophobicContact CZ-CD1 4.03Å; L559-I563 HydrophobicContact CG-CD1 4.2Å; L559-I563 VanDerWaalsContact O-CG1 3.28Å; L559-I563 WeakPolarHBondContact O-CG1 3.02Å; L559-I563 PolarHBondContact O-N 3.12Å; L560-I563 PolarHBondContact O-N 3.41Å; Y561-I563 VanDerWaalsContact C-N 3.27Å; Y561-I563 PolarHBondContact O-N 2.84Å; I563-R565 VanDerWaalsContact C-N 3.34Å; I563-R565 PolarHBondContact O-N 3.04Å; I563-T566 WeakPolarHBondContact CA-OG1 3.31Å; I563-T566 PolarHBondContact O-N 3.4Å; I563-T566 PolarHBondContact O-OG1 3.42Å; I563-L567 HydrophobicContact CG2-CD1 4.13Å; I563-L567 HydrophobicContact CG2-CG 4.36Å; I563-L567 VanDerWaalsContact O-CG 3.32Å; I563-L567 WeakPolarHBondContact O-CG 3.37Å; I563-L567 PolarHBondContact O-N 3.18Å; I563-L587 HydrophobicContact CG2-CD1 4.1Å
564L91.3Very high86.8Confident1 Ų147.5 Ų47.51%0.00525%0.251CS..Hα-helixtrans-61.8-40.2-180-68.8174.2000112.9L560 Y561 L567 R568 L584 M600 L608 L611L560-L564 HydrophobicContact CD1-CD1 3.99Å; L560-L564 HydrophobicContact CD1-CD2 4.49Å; L560-L564 HydrophobicContact CD1-CG 4.03Å; L560-L564 HydrophobicContact CG-CD1 3.98Å; L560-L564 HydrophobicContact CG-CG 4.43Å; L560-L564 VanDerWaalsContact O-CG 3.24Å; L560-L564 WeakPolarHBondContact O-CG 3.47Å; L560-L564 PolarHBondContact O-N 3.16Å; Y561-L564 PolarHBondContact O-N 2.94Å; Y561-L564 VanDerWaalsContact O-N 3.17Å; L564-L567 HydrophobicContact CD2-CD1 4.42Å; L564-L567 PolarHBondContact O-N 3.22Å; L564-R568 PolarHBondContact O-N 3.39Å; L564-L584 HydrophobicContact CD2-CD2 3.52Å; L564-M600 HydrophobicContact CD1-CE 3.65Å; L564-L608 HydrophobicContact CD1-CD1 4.22Å; L564-L608 HydrophobicContact CD1-CD2 3.77Å; L564-L608 HydrophobicContact CD1-CG 3.92Å; L564-L608 HydrophobicContact CD2-CD2 3.6Å; L564-L608 HydrophobicContact CG-CD2 4.27Å; L564-L611 HydrophobicContact CD2-CD1 4.28Å
565R90.6Very high86.9Confident120 Ų12047.1 Ų47.145%0.45324%0.243SC..Hα-helixtrans-64.6-41.6176.8-177.2176.1172.9178-0.2112Y561 I563 R568 D569Y561-R565 HydrophobicContact CE2-CB 4.45Å; Y561-R565 WeakPolarHBondContact O-CB 3.42Å; Y561-R565 PolarHBondContact O-N 3.15Å; I563-R565 VanDerWaalsContact C-N 3.34Å; I563-R565 PolarHBondContact O-N 3.04Å; R565-R568 PolarHBondContact O-N 3.17Å; R565-D569 WeakPolarHBondContact CG-OD2 3.4Å; R565-D569 IonicContact NE-OD2 4Å; R565-D569 WeakPolarHBondContact O-CB 3.48Å; R565-D569 VanDerWaalsContact O-CG 3.24Å; R565-D569 PolarHBondContact O-N 3.39Å
566T89.6Confident86.8Confident10 Ų1049.6 Ų49.66%0.06126%0.26CS..Hα-helixtrans-70.3-34.8178.354.50000112.1V535 L539 Q562 I563 F570V535-T566 HydrophobicContact CB-CG2 4.37Å; V535-T566 HydrophobicContact CG1-CG2 3.55Å; L539-T566 HydrophobicContact CD1-CG2 4.29Å; L539-T566 WeakPolarHBondContact CD1-OG1 3.37Å; Q562-T566 WeakPolarHBondContact O-CG2 3.38Å; Q562-T566 PolarHBondContact O-N 3.19Å; Q562-T566 VanDerWaalsContact O-N 3.12Å; Q562-T566 PolarHBondContact O-OG1 3.15Å; I563-T566 WeakPolarHBondContact CA-OG1 3.31Å; I563-T566 PolarHBondContact O-N 3.4Å; I563-T566 PolarHBondContact O-OG1 3.42Å; T566-F570 PolarHBondContact O-N 2.86Å
567L89.8Confident86.5Confident2 Ų247.2 Ų47.21%0.0125%0.252CS..Iπ-helixtrans-59.7-45.2169.8-70.1175.5000111.1I563 L564 F571 I572 T583 L584 L611I563-L567 HydrophobicContact CG2-CD1 4.13Å; I563-L567 HydrophobicContact CG2-CG 4.36Å; I563-L567 VanDerWaalsContact O-CG 3.32Å; I563-L567 WeakPolarHBondContact O-CG 3.37Å; I563-L567 PolarHBondContact O-N 3.18Å; L564-L567 HydrophobicContact CD2-CD1 4.42Å; L564-L567 PolarHBondContact O-N 3.22Å; L567-F571 HydrophobicContact CD2-CB 4.1Å; L567-F571 HydrophobicContact CD2-CD1 3.88Å; L567-F571 HydrophobicContact CD2-CD2 3.76Å; L567-F571 HydrophobicContact CD2-CE1 4.21Å; L567-F571 HydrophobicContact CD2-CE2 4.08Å; L567-F571 HydrophobicContact CD2-CG 3.64Å; L567-F571 HydrophobicContact CD2-CZ 4.31Å; L567-F571 WeakPolarHBondContact O-CA 3.47Å; L567-F571 VanDerWaalsContact O-CB 3.28Å; L567-F571 WeakPolarHBondContact O-CB 3.49Å; L567-F571 PolarHBondContact O-N 2.96Å; L567-F571 VanDerWaalsContact O-N 3.11Å; L567-I572 PolarHBondContact O-N 2.75Å; L567-T583 HydrophobicContact CD1-CG2 4.33Å; L567-L584 HydrophobicContact CD1-CD2 4.21Å; L567-L611 HydrophobicContact CB-CD1 4.34Å; L567-L611 HydrophobicContact CB-CD2 4.19Å
568R88.9Confident86.3Confident66 Ų6648 Ų4825%0.24926%0.256CS..Iπ-helixtrans-65.3-51.9177.2-175.5-159.756.9-170.6-3.4112L564 R565 I572 V607 E610 L611L564-R568 PolarHBondContact O-N 3.39Å; R565-R568 PolarHBondContact O-N 3.17Å; R568-I572 HydrophobicContact CB-CD1 4.4Å; R568-I572 HydrophobicContact CG-CD1 3.93Å; R568-I572 WeakPolarHBondContact O-CD1 3.43Å; R568-I572 WeakPolarHBondContact O-CG1 3.37Å; R568-V607 HydrophobicContact CB-CG1 3.86Å; R568-V607 HydrophobicContact CG-CG1 4.37Å; R568-E610 WeakPolarHBondContact CD-OE2 3.43Å; R568-E610 IonicContact NH1-OE2 3.56Å; R568-L611 HydrophobicContact CB-CD1 4.49Å; R568-L611 HydrophobicContact CB-CD2 4.2Å; R568-L611 HydrophobicContact CB-CG 4.2Å
569D87.4Confident86.2Confident71 Ų7143.1 Ų43.138%0.3823%0.232SC..Iπ-helixtrans-72.6-33.7-168.4-66.5-11.4000112.2R565R565-D569 WeakPolarHBondContact CG-OD2 3.4Å; R565-D569 IonicContact NE-OD2 4Å; R565-D569 WeakPolarHBondContact O-CB 3.48Å; R565-D569 VanDerWaalsContact O-CG 3.24Å; R565-D569 PolarHBondContact O-N 3.39Å
570F86.1Confident86.1Confident42 Ų4242.6 Ų42.618%0.18423%0.229CC..Iπ-helixtrans-122.5-32.9-172.3-63.8-85.7000115.3P532 E533 Y536 T566 N574P532-F570 HydrophobicContact CB-CE2 3.82Å; P532-F570 HydrophobicContact CB-CZ 3.87Å; P532-F570 HydrophobicContact CG-CZ 4.37Å; E533-F570 HydrophobicContact CG-CE1 3.98Å; E533-F570 HydrophobicContact CG-CZ 4.25Å; Y536-F570 HydrophobicContact CD1-CB 4.39Å; Y536-F570 HydrophobicContact CD2-CB 3.34Å; Y536-F570 HydrophobicContact CD2-CG 4.16Å; Y536-F570 HydrophobicContact CE2-CB 3.87Å; Y536-F570 HydrophobicContact CG-CB 3.64Å; Y536-F570 HydrophobicContact CG-CD1 4.28Å; Y536-F570 AromaticContact CG-CG 3.96Å; Y536-F570 HydrophobicContact CG-CG 3.96Å; T566-F570 PolarHBondContact O-N 2.86Å; F570-N574 WeakPolarHBondContact O-CB 3.5Å; F570-N574 PolarHBondContact O-N 2.8Å; F570-N574 PolarHBondContact O-ND2 2.86Å
571F82.6Confident86Confident13 Ų1343.8 Ų43.86%0.05724%0.235CC..Iπ-helixtrans-78.1-33.4-177.2-79.8-113.1000112.6Y536 L567 G573 N574 E575 I580Y536-F571 AromaticContact CD2-CD2 3.7Å; Y536-F571 HydrophobicContact CD2-CD2 3.7Å; Y536-F571 AromaticContact CD2-CE2 3.48Å; Y536-F571 HydrophobicContact CD2-CE2 3.48Å; Y536-F571 VanDerWaalsContact CD2-CE2 3.48Å; Y536-F571 HydrophobicContact CD2-CZ 4.32Å; Y536-F571 AromaticContact CE2-CD2 3.69Å; Y536-F571 HydrophobicContact CE2-CD2 3.69Å; Y536-F571 AromaticContact CE2-CE2 3.62Å; Y536-F571 HydrophobicContact CE2-CE2 3.62Å; Y536-F571 HydrophobicContact CE2-CG 4.28Å; Y536-F571 HydrophobicContact CE2-CZ 4.15Å; L567-F571 HydrophobicContact CD2-CB 4.1Å; L567-F571 HydrophobicContact CD2-CD1 3.88Å; L567-F571 HydrophobicContact CD2-CD2 3.76Å; L567-F571 HydrophobicContact CD2-CE1 4.21Å; L567-F571 HydrophobicContact CD2-CE2 4.08Å; L567-F571 HydrophobicContact CD2-CG 3.64Å; L567-F571 HydrophobicContact CD2-CZ 4.31Å; L567-F571 WeakPolarHBondContact O-CA 3.47Å; L567-F571 VanDerWaalsContact O-CB 3.28Å; L567-F571 WeakPolarHBondContact O-CB 3.49Å; L567-F571 PolarHBondContact O-N 2.96Å; L567-F571 VanDerWaalsContact O-N 3.11Å; F571-G573 PolarHBondContact O-N 3.32Å; F571-N574 PolarHBondContact O-N 2.97Å; F571-E575 HydrophobicContact CD1-CB 3.81Å; F571-E575 HydrophobicContact CD1-CG 3.79Å; F571-E575 HydrophobicContact CE1-CB 4.49Å; F571-E575 HydrophobicContact CE1-CG 4.08Å; F571-E575 HydrophobicContact CG-CB 4.49Å; F571-E575 HydrophobicContact CG-CG 4.49Å; F571-E575 PolarHBondContact O-N 3.15Å; F571-E575 VanDerWaalsContact O-N 3.1Å; F571-I580 HydrophobicContact CB-CD1 3.95Å; F571-I580 HydrophobicContact CB-CG1 4Å
572I83.7Confident85.9Confident54 Ų5446 Ų4628%0.27725%0.248SC..Hα-helixtrans-55.4-35.9176.3-66.3-178.2000111.7L567 R568 L611 F614L567-I572 PolarHBondContact O-N 2.75Å; R568-I572 HydrophobicContact CB-CD1 4.4Å; R568-I572 HydrophobicContact CG-CD1 3.93Å; R568-I572 WeakPolarHBondContact O-CD1 3.43Å; R568-I572 WeakPolarHBondContact O-CG1 3.37Å; I572-L611 HydrophobicContact CD1-CD2 3.99Å; I572-L611 HydrophobicContact CG1-CD2 4.08Å; I572-F614 HydrophobicContact CG1-CD1 4.16Å; I572-F614 HydrophobicContact CG1-CE1 4.43Å; I572-F614 HydrophobicContact CG1-CG 4.41Å; I572-F614 HydrophobicContact CG2-CD1 4.36Å; I572-F614 HydrophobicContact CG2-CD2 3.85Å; I572-F614 HydrophobicContact CG2-CE1 4.27Å; I572-F614 HydrophobicContact CG2-CE2 3.75Å; I572-F614 HydrophobicContact CG2-CG 4.15Å; I572-F614 HydrophobicContact CG2-CZ 3.96Å
573G79.9Confident85.9Confident67 Ų6743.9 Ų43.969%0.69124%0.239SC*.Hα-helixtrans-88.4-23-177.900000115.6F571F571-G573 PolarHBondContact O-N 3.32Å
574N78.3Confident85.9Confident101 Ų10143.9 Ų43.954%0.5424%0.239SC..Hα-helixtrans-122.5-19.5-163-64.2-41.8000115.4Y536 F570 F571Y536-N574 VanDerWaalsContact OH-CB 3.24Å; Y536-N574 WeakPolarHBondContact OH-CB 3.45Å; F570-N574 WeakPolarHBondContact O-CB 3.5Å; F570-N574 PolarHBondContact O-N 2.8Å; F570-N574 PolarHBondContact O-ND2 2.86Å; F571-N574 PolarHBondContact O-N 2.97Å
575E81.6Confident85.8Confident42 Ų4245.3 Ų45.320%0.19625%0.253CS..SBendtrans-128155.3-171-72.1-68.8160.900111.1R540 F571R540-E575 IonicContact CZ-OE1 3.04Å; R540-E575 VanDerWaalsContact CZ-OE1 3.31Å; R540-E575 IonicContact NE-OE1 2.81Å; R540-E575 PolarHBondContact NE-OE1 3.24Å; R540-E575 IonicContact NH2-OE1 3.3Å; R540-E575 PolarHBondContact NH2-OE1 3.18Å; F571-E575 HydrophobicContact CD1-CB 3.81Å; F571-E575 HydrophobicContact CD1-CG 3.79Å; F571-E575 HydrophobicContact CE1-CB 4.49Å; F571-E575 HydrophobicContact CE1-CG 4.08Å; F571-E575 HydrophobicContact CG-CB 4.49Å; F571-E575 HydrophobicContact CG-CG 4.49Å; F571-E575 PolarHBondContact O-N 3.15Å; F571-E575 VanDerWaalsContact O-N 3.1Å
576P82.9Confident85.7Confident61 Ų6141.1 Ų41.140%0.39624%0.242SC..  trans-68.4147.4-179.128.8-32.9000110.9T578 S579P576-T578 PolarHBondContact O-N 2.94Å; P576-T578 VanDerWaalsContact O-N 3.07Å; P576-S579 PolarHBondContact O-N 3.25Å
577P82.1Confident85.7Confident34 Ų3440.7 Ų40.722%0.22124%0.24CC..Hα-helixtrans-64.2-18.5-175.724.2-32.4000113.2I580 L581 F614 L615 A618 L620P577-I580 PolarHBondContact O-N 2.73Å; P577-L581 PolarHBondContact O-N 3.48Å; P577-F614 HydrophobicContact CB-CE1 4.07Å; P577-L615 HydrophobicContact CB-CD2 4.03Å; P577-L615 VanDerWaalsContact O-CD2 3.29Å; P577-L615 WeakPolarHBondContact O-CD2 3.41Å; P577-A618 HydrophobicContact CB-CB 3.87Å; P577-A618 HydrophobicContact CG-CB 3.78Å; P577-L620 HydrophobicContact CB-CD1 3.6Å; P577-L620 HydrophobicContact CG-CD1 3.79Å
578T84.3Confident85.7Confident63 Ų6341.1 Ų41.139%0.38724%0.244SC..Hα-helixtrans-63.9-40.7172.551.20000112.6P576 I580 L581 E582 L620P576-T578 PolarHBondContact O-N 2.94Å; P576-T578 VanDerWaalsContact O-N 3.07Å; T578-I580 VanDerWaalsContact C-N 3.3Å; T578-I580 PolarHBondContact O-N 3.21Å; T578-L581 PolarHBondContact O-N 3.41Å; T578-E582 WeakPolarHBondContact O-CG 3.48Å; T578-E582 PolarHBondContact O-N 3.43Å; T578-L620 HydrophobicContact CG2-CD1 4.01Å; T578-L620 HydrophobicContact CG2-CD2 3.75Å
579S84.9Confident85.5Confident30 Ų3040.9 Ų40.921%0.2126%0.261CS..Hα-helixtrans-65-36.3-179.8-59.50000111.9P576 T583P576-S579 PolarHBondContact O-N 3.25Å; S579-T583 WeakPolarHBondContact O-CB 3.4Å; S579-T583 PolarHBondContact O-N 2.92Å; S579-T583 PolarHBondContact O-OG1 2.99Å
580I85.9Confident85.6Confident0 Ų037.9 Ų37.90%025%0.246CC..Hα-helixtrans-67.5-45.7176-59.9173.1000109.7F571 P577 T578 E582 T583 L584 L611 F614 L615F571-I580 HydrophobicContact CB-CD1 3.95Å; F571-I580 HydrophobicContact CB-CG1 4Å; P577-I580 PolarHBondContact O-N 2.73Å; T578-I580 VanDerWaalsContact C-N 3.3Å; T578-I580 PolarHBondContact O-N 3.21Å; I580-E582 PolarHBondContact O-N 2.86Å; I580-T583 PolarHBondContact O-N 3.21Å; I580-L584 HydrophobicContact CG2-CD1 4.02Å; I580-L584 HydrophobicContact CG2-CG 4.42Å; I580-L584 WeakPolarHBondContact O-CG 3.45Å; I580-L584 PolarHBondContact O-N 3.12Å; I580-L611 HydrophobicContact CG2-CD2 4.41Å; I580-F614 HydrophobicContact CD1-CD1 4.44Å; I580-F614 HydrophobicContact CD1-CE1 4.11Å; I580-L615 HydrophobicContact CB-CD2 4.32Å; I580-L615 HydrophobicContact CG2-CD1 4.4Å; I580-L615 HydrophobicContact CG2-CD2 4.36Å
581L88.1Confident85.5Confident25 Ų2545.6 Ų45.613%0.13127%0.274CS..Hα-helixtrans-60.6-45.7178.9-175.766.2000112P577 T578 L584 G585 L615 V625 L628P577-L581 PolarHBondContact O-N 3.48Å; T578-L581 PolarHBondContact O-N 3.41Å; L581-L584 PolarHBondContact O-N 3.26Å; L581-G585 PolarHBondContact O-N 2.82Å; L581-L615 HydrophobicContact CB-CD2 4.41Å; L581-L615 HydrophobicContact CD1-CD1 4.29Å; L581-V625 HydrophobicContact CD1-CG2 3.88Å; L581-L628 HydrophobicContact CD1-CD1 3.74Å
582E87.9Confident85.7Confident114 Ų11451.8 Ų51.853%0.53330%0.297SS..Hα-helixtrans-63.8-42.4177.1-72.4180-176.700111.8P544 T578 I580 G585 C586P544-E582 HydrophobicContact CB-CB 3.84Å; P544-E582 HydrophobicContact CG-CB 4.24Å; T578-E582 WeakPolarHBondContact O-CG 3.48Å; T578-E582 PolarHBondContact O-N 3.43Å; I580-E582 PolarHBondContact O-N 2.86Å; E582-G585 PolarHBondContact O-N 3.17Å; E582-C586 WeakPolarHBondContact O-CB 3.5Å; E582-C586 PolarHBondContact O-N 3.49Å; E582-C586 PolarHBondContact O-SG 3.02Å; E582-C586 VanDerWaalsContact O-SG 3.39Å
583T88.9Confident86Confident6 Ų649.3 Ų49.34%0.03728%0.284CS..Hα-helixtrans-62.8-46.3178.3-58.60000111.4Y547 L567 S579 I580 G585 C586 L587Y547-T583 HydrophobicContact CD2-CG2 3.9Å; Y547-T583 HydrophobicContact CE2-CG2 3.59Å; L567-T583 HydrophobicContact CD1-CG2 4.33Å; S579-T583 WeakPolarHBondContact O-CB 3.4Å; S579-T583 PolarHBondContact O-N 2.92Å; S579-T583 PolarHBondContact O-OG1 2.99Å; I580-T583 PolarHBondContact O-N 3.21Å; T583-G585 VanDerWaalsContact C-N 3.32Å; T583-G585 PolarHBondContact O-N 3.03Å; T583-C586 PolarHBondContact O-N 3.07Å; T583-L587 HydrophobicContact CG2-CD1 4.23Å; T583-L587 VanDerWaalsContact O-CG 3.31Å; T583-L587 WeakPolarHBondContact O-CG 3.26Å; T583-L587 PolarHBondContact O-N 3.41Å
584L89.8Confident86.4Confident0 Ų051.8 Ų51.80%028%0.277CS..Hα-helixtrans-63.1-39174.7-68.6175000111.6L564 L567 I580 L581 L587 A588 F612 L615 Y632L564-L584 HydrophobicContact CD2-CD2 3.52Å; L567-L584 HydrophobicContact CD1-CD2 4.21Å; I580-L584 HydrophobicContact CG2-CD1 4.02Å; I580-L584 HydrophobicContact CG2-CG 4.42Å; I580-L584 WeakPolarHBondContact O-CG 3.45Å; I580-L584 PolarHBondContact O-N 3.12Å; L581-L584 PolarHBondContact O-N 3.26Å; L584-L587 PolarHBondContact O-N 3.28Å; L584-A588 WeakPolarHBondContact O-CB 3.24Å; L584-A588 PolarHBondContact O-N 3.08Å; L584-F612 HydrophobicContact CD1-CE1 4.34Å; L584-F612 HydrophobicContact CD1-CZ 4.46Å; L584-L615 HydrophobicContact CD1-CD1 4.02Å; L584-Y632 HydrophobicContact CB-CE2 4.42Å; L584-Y632 HydrophobicContact CD2-CE1 4.49Å; L584-Y632 PolarHBondContact O-OH 3.2Å
585G89.1Confident86.8Confident30 Ų3051.7 Ų51.731%0.30928%0.275SS..Hα-helixtrans-61.1-45.6174.500000113L581 E582 T583 A588 G589L581-G585 PolarHBondContact O-N 2.82Å; E582-G585 PolarHBondContact O-N 3.17Å; T583-G585 VanDerWaalsContact C-N 3.32Å; T583-G585 PolarHBondContact O-N 3.03Å; G585-A588 PolarHBondContact O-N 3.1Å; G585-G589 PolarHBondContact O-N 3.45Å
586C88.6Confident87.2Confident33 Ų3349.8 Ų49.822%0.22327%0.266CS..Hα-helixtrans-68.2-37.1178.8-72.40000112.7P544 E582 T583 G589P544-C586 VanDerWaalsContact O-CB 3.22Å; P544-C586 WeakPolarHBondContact O-CB 3.46Å; P544-C586 PolarHBondContact O-SG 3.26Å; E582-C586 WeakPolarHBondContact O-CB 3.5Å; E582-C586 PolarHBondContact O-N 3.49Å; E582-C586 PolarHBondContact O-SG 3.02Å; E582-C586 VanDerWaalsContact O-SG 3.39Å; T583-C586 PolarHBondContact O-N 3.07Å; C586-G589 PolarHBondContact O-N 3.44Å
587L89Confident87.5Confident0 Ų047.6 Ų47.60%025%0.252CS..Hα-helixtrans-64.9-40.5173.1-71.6171.1000111.8Y547 F551 L555 L560 I563 T583 L584 G589 V590 F593 Y632Y547-L587 HydrophobicContact CD1-CD2 4.18Å; Y547-L587 HydrophobicContact CG-CD2 4.4Å; F551-L587 HydrophobicContact CD2-CD2 4.06Å; F551-L587 HydrophobicContact CE2-CD2 3.77Å; L555-L587 HydrophobicContact CD2-CD2 4.45Å; L560-L587 HydrophobicContact CD1-CD1 4.19Å; I563-L587 HydrophobicContact CG2-CD1 4.1Å; T583-L587 HydrophobicContact CG2-CD1 4.23Å; T583-L587 VanDerWaalsContact O-CG 3.31Å; T583-L587 WeakPolarHBondContact O-CG 3.26Å; T583-L587 PolarHBondContact O-N 3.41Å; L584-L587 PolarHBondContact O-N 3.28Å; L587-G589 PolarHBondContact O-N 3.33Å; L587-V590 WeakPolarHBondContact O-CG2 3.46Å; L587-V590 PolarHBondContact O-N 2.62Å; L587-F593 WeakPolarHBondContact O-CD2 3.28Å; L587-Y632 WeakPolarHBondContact CB-OH 3.3Å
588A89.3Confident87.8Confident12 Ų1252.3 Ų52.310%0.09927%0.272CS..Hα-helixtrans-66-1717600000113.8L584 G585 F593 L628 K631 Y632L584-A588 WeakPolarHBondContact O-CB 3.24Å; L584-A588 PolarHBondContact O-N 3.08Å; G585-A588 PolarHBondContact O-N 3.1Å; A588-F593 HydrophobicContact CB-CD1 4.35Å; A588-F593 HydrophobicContact CB-CE1 4Å; A588-F593 HydrophobicContact CB-CE2 4.4Å; A588-F593 HydrophobicContact CB-CZ 4.03Å; A588-L628 HydrophobicContact CB-CD2 3.84Å; A588-K631 HydrophobicContact CB-CD 4.3Å; A588-Y632 HydrophobicContact CB-CE2 3.99Å
589G86.4Confident88.1Confident60 Ų6056 Ų5662%0.61928%0.283SS*.THydrogen-bonded Turntrans-81.9-6.9177.600000115.2G585 C586 L587G585-G589 PolarHBondContact O-N 3.45Å; C586-G589 PolarHBondContact O-N 3.44Å; L587-G589 PolarHBondContact O-N 3.33Å
590V88.6Confident88.1Confident9 Ų955.6 Ų55.66%0.05528%0.278CS..SBendtrans-75.8137.9-176.4-178.90000111.2F551 L555 L587 R592 F593F551-V590 HydrophobicContact CB-CG1 4.03Å; F551-V590 HydrophobicContact CB-CG2 3.93Å; L555-V590 HydrophobicContact CB-CG1 4.13Å; L587-V590 WeakPolarHBondContact O-CG2 3.46Å; L587-V590 PolarHBondContact O-N 2.62Å; V590-R592 VanDerWaalsContact C-N 3.28Å; V590-R592 PolarHBondContact O-N 2.9Å; V590-R592 VanDerWaalsContact O-N 3.11Å; V590-F593 HydrophobicContact CB-CB 4.36Å; V590-F593 WeakPolarHBondContact O-CB 3.35Å; V590-F593 PolarHBondContact O-N 2.78Å
591R84.1Confident88.4Confident203 Ų20358.5 Ų58.577%0.76630%0.296SS*.THydrogen-bonded Turntrans-55.5-34.6-172.8-69.5-177.6178.9175.5-7.1115.1N553N553-R591 WeakPolarHBondContact OD1-CD 3.39Å; N553-R591 PolarHBondContact OD1-NH1 2.72Å
592R86.3Confident88.4Confident144 Ų14462.8 Ų62.854%0.54333%0.325SS..THydrogen-bonded Turntrans-102.216.3179-72.4-174.3-177.2173.2-1.1113.9N553 V590 H594 M595 A596N553-R592 WeakPolarHBondContact O-CD 3.43Å; N553-R592 WeakPolarHBondContact O-CG 3.35Å; V590-R592 VanDerWaalsContact C-N 3.28Å; V590-R592 PolarHBondContact O-N 2.9Å; V590-R592 VanDerWaalsContact O-N 3.11Å; R592-H594 PolarHBondContact O-N 3.03Å; R592-M595 PolarHBondContact O-N 3.48Å; R592-M595 VanDerWaalsContact O-N 3.14Å; R592-A596 PolarHBondContact O-N 3.44Å
593F90.6Very high88.3Confident2 Ų264.2 Ų64.21%0.00933%0.332CS..Hα-helixtrans-56-45.7-178.7172.8-103.8000113.2L555 L560 L587 A588 V590 M595 A596 V597 K631 Y632L555-F593 HydrophobicContact CD2-CD2 4.16Å; L560-F593 HydrophobicContact CD2-CE2 4.45Å; L587-F593 WeakPolarHBondContact O-CD2 3.28Å; A588-F593 HydrophobicContact CB-CD1 4.35Å; A588-F593 HydrophobicContact CB-CE1 4Å; A588-F593 HydrophobicContact CB-CE2 4.4Å; A588-F593 HydrophobicContact CB-CZ 4.03Å; V590-F593 HydrophobicContact CB-CB 4.36Å; V590-F593 WeakPolarHBondContact O-CB 3.35Å; V590-F593 PolarHBondContact O-N 2.78Å; F593-M595 PolarHBondContact O-N 2.92Å; F593-A596 WeakPolarHBondContact O-CB 3.49Å; F593-A596 PolarHBondContact O-N 3.44Å; F593-V597 HydrophobicContact CD1-CG2 4.09Å; F593-V597 HydrophobicContact CD2-CG2 4.3Å; F593-V597 HydrophobicContact CE1-CG2 3.55Å; F593-V597 HydrophobicContact CE2-CG2 3.79Å; F593-V597 HydrophobicContact CG-CG2 4.43Å; F593-V597 HydrophobicContact CZ-CG2 3.37Å; F593-V597 WeakPolarHBondContact O-CG2 3.27Å; F593-V597 PolarHBondContact O-N 3.27Å; F593-K631 HydrophobicContact CE1-CB 4.26Å; F593-Y632 HydrophobicContact CE2-CD1 4.11Å; F593-Y632 AromaticContact CE2-CE1 3.49Å; F593-Y632 HydrophobicContact CE2-CE1 3.49Å; F593-Y632 VanDerWaalsContact CE2-CE1 3.49Å; F593-Y632 HydrophobicContact CE2-CE2 4.19Å; F593-Y632 AromaticContact CE2-CZ 3.52Å; F593-Y632 AromaticContact CZ-CD1 3.6Å; F593-Y632 HydrophobicContact CZ-CD1 3.6Å; F593-Y632 AromaticContact CZ-CD2 3.82Å; F593-Y632 HydrophobicContact CZ-CD2 3.82Å; F593-Y632 AromaticContact CZ-CE1 3.38Å; F593-Y632 HydrophobicContact CZ-CE1 3.38Å; F593-Y632 AromaticContact CZ-CE2 3.6Å; F593-Y632 HydrophobicContact CZ-CE2 3.6Å; F593-Y632 AromaticContact CZ-CG 3.82Å; F593-Y632 HydrophobicContact CZ-CG 3.82Å; F593-Y632 AromaticContact CZ-CZ 3.37Å
594H88.7Confident88.3Confident118 Ų11864.6 Ų64.655%0.54633%0.334SS..Hα-helixtrans-61.3-30.6179.7-71.9-62.4000113.6R592 V597 M598R592-H594 PolarHBondContact O-N 3.03Å; H594-V597 PolarHBondContact O-N 3.31Å; H594-M598 WeakPolarHBondContact O-CG 3.42Å; H594-M598 PolarHBondContact O-N 3.23Å; H594-M598 VanDerWaalsContact O-N 3.11Å
595M86.9Confident88.3Confident100 Ų10068.3 Ų68.349%0.49335%0.35SS..Hα-helixtrans-67.2-44.6173.9-62.4-140.478.800110.8R592 F593 V597 M598 F599R592-M595 PolarHBondContact O-N 3.48Å; R592-M595 VanDerWaalsContact O-N 3.14Å; F593-M595 PolarHBondContact O-N 2.92Å; M595-V597 VanDerWaalsContact C-N 3.3Å; M595-V597 PolarHBondContact O-N 3Å; M595-M598 HydrophobicContact CB-CE 4.45Å; M595-M598 HydrophobicContact CE-CE 3.77Å; M595-M598 HydrophobicContact CG-CE 4.21Å; M595-M598 PolarHBondContact O-N 2.92Å; M595-M598 VanDerWaalsContact O-N 3.15Å; M595-F599 WeakPolarHBondContact O-CD2 3.32Å; M595-F599 PolarHBondContact O-N 3.11Å
596A88.1Confident88.4Confident2 Ų273.2 Ų73.22%0.01736%0.363CS..Hα-helixtrans-60.4-40.3176.200000112.2L555 L560 R592 F593 M598 F599L555-A596 HydrophobicContact CD2-CB 4.48Å; L555-A596 HydrophobicContact CG-CB 4.49Å; L560-A596 HydrophobicContact CD2-CB 3.86Å; R592-A596 PolarHBondContact O-N 3.44Å; F593-A596 WeakPolarHBondContact O-CB 3.49Å; F593-A596 PolarHBondContact O-N 3.44Å; A596-M598 VanDerWaalsContact C-N 3.33Å; A596-M598 PolarHBondContact O-N 3.29Å; A596-F599 PolarHBondContact O-N 3.27Å
597V91.1Very high88.5Confident15 Ų1572 Ų729%0.09135%0.354CS..Hα-helixtrans-62.8-36.7175.9174.90000112.3F593 H594 M595 F599 M600 Y632F593-V597 HydrophobicContact CD1-CG2 4.09Å; F593-V597 HydrophobicContact CD2-CG2 4.3Å; F593-V597 HydrophobicContact CE1-CG2 3.55Å; F593-V597 HydrophobicContact CE2-CG2 3.79Å; F593-V597 HydrophobicContact CG-CG2 4.43Å; F593-V597 HydrophobicContact CZ-CG2 3.37Å; F593-V597 WeakPolarHBondContact O-CG2 3.27Å; F593-V597 PolarHBondContact O-N 3.27Å; H594-V597 PolarHBondContact O-N 3.31Å; M595-V597 VanDerWaalsContact C-N 3.3Å; M595-V597 PolarHBondContact O-N 3Å; V597-F599 VanDerWaalsContact C-N 3.27Å; V597-F599 PolarHBondContact O-N 2.88Å; V597-M600 WeakPolarHBondContact O-CB 3.48Å; V597-M600 WeakPolarHBondContact O-CG 3.46Å; V597-M600 PolarHBondContact O-N 3.49Å; V597-Y632 VanDerWaalsContact CG1-O 3.27Å; V597-Y632 WeakPolarHBondContact CG1-O 3.29Å; V597-Y632 HydrophobicContact CG2-CD1 4.46Å
598M87.1Confident88.6Confident133 Ų13372 Ų7266%0.65535%0.354SS*.Hα-helixtrans-65.4-28.1178.5-75.6-169.8-64.500113.4H594 M595 A596 M600H594-M598 WeakPolarHBondContact O-CG 3.42Å; H594-M598 PolarHBondContact O-N 3.23Å; H594-M598 VanDerWaalsContact O-N 3.11Å; M595-M598 HydrophobicContact CB-CE 4.45Å; M595-M598 HydrophobicContact CE-CE 3.77Å; M595-M598 HydrophobicContact CG-CE 4.21Å; M595-M598 PolarHBondContact O-N 2.92Å; M595-M598 VanDerWaalsContact O-N 3.15Å; A596-M598 VanDerWaalsContact C-N 3.33Å; A596-M598 PolarHBondContact O-N 3.29Å; M598-M600 VanDerWaalsContact C-N 3.34Å
599F89.8Confident88.6Confident140 Ų14076.5 Ų76.561%0.61437%0.372SS*.THydrogen-bonded Turntrans-89.65.9179-67.5-72.3000113.8P557 M595 A596 V597P557-F599 HydrophobicContact CB-CB 4.02Å; P557-F599 HydrophobicContact CG-CB 3.91Å; P557-F599 HydrophobicContact CG-CD2 4.14Å; P557-F599 HydrophobicContact CG-CG 4.32Å; M595-F599 WeakPolarHBondContact O-CD2 3.32Å; M595-F599 PolarHBondContact O-N 3.11Å; A596-F599 PolarHBondContact O-N 3.27Å; V597-F599 VanDerWaalsContact C-N 3.27Å; V597-F599 PolarHBondContact O-N 2.88Å
600M86.6Confident88.8Confident21 Ų2176.9 Ų76.910%0.10336%0.357CS..  trans-72.3132.3179.1-65.9-171.173.500112.2L560 L564 V597 M598 D604 L608L560-M600 HydrophobicContact CD2-SD 4.48Å; L564-M600 HydrophobicContact CD1-CE 3.65Å; V597-M600 WeakPolarHBondContact O-CB 3.48Å; V597-M600 WeakPolarHBondContact O-CG 3.46Å; V597-M600 PolarHBondContact O-N 3.49Å; M598-M600 VanDerWaalsContact C-N 3.34Å; M600-D604 HydrophobicContact CB-CB 4.28Å; M600-D604 HydrophobicContact CE-CB 3.48Å; M600-D604 VanDerWaalsContact CE-CB 3.48Å; M600-L608 HydrophobicContact CE-CD1 3.34Å; M600-L608 HydrophobicContact CE-CG 4.08Å; M600-L608 HydrophobicContact SD-CD1 3.81Å
601T90.7Very high88.8Confident62 Ų6276.4 Ų76.438%0.3836%0.355SS..  trans-75.1163.3176.3740000111.4Q603 D604 K605T601-Q603 PolarHBondContact O-N 3.45Å; T601-Q603 PolarHBondContact OG1-N 3.36Å; T601-D604 WeakPolarHBondContact CB-OD2 3.1Å; T601-D604 PolarHBondContact N-OD2 3.42Å; T601-D604 PolarHBondContact O-N 3.32Å; T601-D604 VanDerWaalsContact O-N 3.1Å; T601-D604 PolarHBondContact OG1-N 3.1Å; T601-D604 PolarHBondContact OG1-OD1 3.36Å; T601-D604 VanDerWaalsContact OG1-OD1 3.11Å; T601-D604 PolarHBondContact OG1-OD2 3.05Å; T601-K605 PolarHBondContact O-N 3.4Å; T601-K605 VanDerWaalsContact O-N 3.15Å
602P88.5Confident89.1Confident114 Ų11466.8 Ų66.874%0.7432%0.318SS*.Hα-helixtrans-58.4-28174.1-24.434000113.8K606P602-K606 PolarHBondContact O-N 3.36Å
603Q87.1Confident89.2Confident144 Ų14463.9 Ų63.967%0.67331%0.314SS*.Hα-helixtrans-69.3-41.3176.2-63.9-176.2-100110.8T601 K605 K606 V607T601-Q603 PolarHBondContact O-N 3.45Å; T601-Q603 PolarHBondContact OG1-N 3.36Å; Q603-K605 VanDerWaalsContact C-N 3.34Å; Q603-K605 PolarHBondContact O-N 3.23Å; Q603-K606 VanDerWaalsContact O-CB 3.29Å; Q603-K606 WeakPolarHBondContact O-CB 3.48Å; Q603-K606 PolarHBondContact O-N 3.2Å; Q603-K606 VanDerWaalsContact O-N 3.07Å; Q603-V607 PolarHBondContact O-N 2.76Å; Q603-V607 VanDerWaalsContact O-N 3.13Å
604D88.3Confident89Confident15 Ų1566.2 Ų66.28%0.0832%0.324CS..Hα-helixtrans-67.8-37.7-179.7-46.2-28.2000111.1Y561 M600 T601 K606 V607 L608Y561-D604 HydrophobicContact CD2-CB 4.03Å; Y561-D604 VanDerWaalsContact CD2-CG 3.49Å; Y561-D604 WeakPolarHBondContact CD2-OD1 3.42Å; Y561-D604 HydrophobicContact CE2-CB 4.44Å; Y561-D604 WeakPolarHBondContact CE2-OD1 3.38Å; M600-D604 HydrophobicContact CB-CB 4.28Å; M600-D604 HydrophobicContact CE-CB 3.48Å; M600-D604 VanDerWaalsContact CE-CB 3.48Å; T601-D604 WeakPolarHBondContact CB-OD2 3.1Å; T601-D604 PolarHBondContact N-OD2 3.42Å; T601-D604 PolarHBondContact O-N 3.32Å; T601-D604 VanDerWaalsContact O-N 3.1Å; T601-D604 PolarHBondContact OG1-N 3.1Å; T601-D604 PolarHBondContact OG1-OD1 3.36Å; T601-D604 VanDerWaalsContact OG1-OD1 3.11Å; T601-D604 PolarHBondContact OG1-OD2 3.05Å; D604-K606 VanDerWaalsContact C-N 3.25Å; D604-K606 PolarHBondContact O-N 3.05Å; D604-V607 WeakPolarHBondContact O-CB 3.4Å; D604-V607 PolarHBondContact O-N 3.23Å; D604-L608 PolarHBondContact O-N 3.11Å
605K89Confident88.9Confident78 Ų7860.6 Ų60.634%0.33930%0.298SS..Hα-helixtrans-63.3-31.9172.4-66.4-171.7-178.7-168.30112.3T601 Q603 L608 K609T601-K605 PolarHBondContact O-N 3.4Å; T601-K605 VanDerWaalsContact O-N 3.15Å; Q603-K605 VanDerWaalsContact C-N 3.34Å; Q603-K605 PolarHBondContact O-N 3.23Å; K605-L608 PolarHBondContact O-N 2.99Å; K605-K609 WeakPolarHBondContact O-CG 3.49Å; K605-K609 PolarHBondContact O-N 3.45Å
606K91.2Very high88.7Confident133 Ų13358.3 Ų58.358%0.57829%0.287SS*.Hα-helixtrans-67.6-42.7173.5-171-175.2174-172.50111.5P602 Q603 D604 L608 K609 E610P602-K606 PolarHBondContact O-N 3.36Å; Q603-K606 VanDerWaalsContact O-CB 3.29Å; Q603-K606 WeakPolarHBondContact O-CB 3.48Å; Q603-K606 PolarHBondContact O-N 3.2Å; Q603-K606 VanDerWaalsContact O-N 3.07Å; D604-K606 VanDerWaalsContact C-N 3.25Å; D604-K606 PolarHBondContact O-N 3.05Å; K606-L608 VanDerWaalsContact C-N 3.31Å; K606-L608 PolarHBondContact O-N 3.04Å; K606-K609 PolarHBondContact O-N 3.04Å; K606-E610 WeakPolarHBondContact CE-OE1 3.32Å; K606-E610 WeakPolarHBondContact O-CG 3.35Å; K606-E610 PolarHBondContact O-N 3.08Å
607V91.4Very high88.5Confident7 Ų765.5 Ų65.54%0.04232%0.321CS..Hα-helixtrans-58.6-43.6174179.40000111.1R568 Q603 D604 E610 L611R568-V607 HydrophobicContact CB-CG1 3.86Å; R568-V607 HydrophobicContact CG-CG1 4.37Å; Q603-V607 PolarHBondContact O-N 2.76Å; Q603-V607 VanDerWaalsContact O-N 3.13Å; D604-V607 WeakPolarHBondContact O-CB 3.4Å; D604-V607 PolarHBondContact O-N 3.23Å; V607-E610 PolarHBondContact O-N 3.45Å; V607-L611 HydrophobicContact CG1-CD1 4.32Å; V607-L611 WeakPolarHBondContact O-CG 3.26Å; V607-L611 PolarHBondContact O-N 2.59Å
608L90.6Very high88Confident0 Ų066.7 Ų66.70%033%0.332CS..Hα-helixtrans-63.6-41.7175.5-80.3173000112.9L564 M600 D604 K605 K606 E610 L611 F612 Y632 V634L564-L608 HydrophobicContact CD1-CD1 4.22Å; L564-L608 HydrophobicContact CD1-CD2 3.77Å; L564-L608 HydrophobicContact CD1-CG 3.92Å; L564-L608 HydrophobicContact CD2-CD2 3.6Å; L564-L608 HydrophobicContact CG-CD2 4.27Å; M600-L608 HydrophobicContact CE-CD1 3.34Å; M600-L608 HydrophobicContact CE-CG 4.08Å; M600-L608 HydrophobicContact SD-CD1 3.81Å; D604-L608 PolarHBondContact O-N 3.11Å; K605-L608 PolarHBondContact O-N 2.99Å; K606-L608 VanDerWaalsContact C-N 3.31Å; K606-L608 PolarHBondContact O-N 3.04Å; L608-E610 VanDerWaalsContact C-N 3.34Å; L608-E610 PolarHBondContact O-N 3.04Å; L608-L611 PolarHBondContact O-N 3.17Å; L608-F612 HydrophobicContact CB-CD2 4.43Å; L608-F612 HydrophobicContact CB-CE2 4.47Å; L608-F612 HydrophobicContact CD2-CE2 4.18Å; L608-F612 WeakPolarHBondContact O-CD2 3.25Å; L608-F612 PolarHBondContact O-N 3.39Å; L608-Y632 HydrophobicContact CD1-CD1 3.77Å; L608-Y632 HydrophobicContact CD1-CG 4.36Å; L608-Y632 HydrophobicContact CD2-CD1 3.92Å; L608-Y632 HydrophobicContact CD2-CE1 4.22Å; L608-Y632 HydrophobicContact CD2-CG 4.49Å; L608-V634 HydrophobicContact CB-CG2 3.9Å; L608-V634 HydrophobicContact CD1-CG2 3.86Å
609K89.9Confident87.4Confident106 Ų10668.6 Ų68.646%0.46134%0.339SS..Hα-helixtrans-58.2-47175-75.5180-179.1-169.60111.3K605 K606 L611 F612 D613 V634K605-K609 WeakPolarHBondContact O-CG 3.49Å; K605-K609 PolarHBondContact O-N 3.45Å; K606-K609 PolarHBondContact O-N 3.04Å; K609-L611 VanDerWaalsContact C-N 3.32Å; K609-L611 PolarHBondContact O-N 3.23Å; K609-F612 PolarHBondContact O-N 2.87Å; K609-D613 WeakPolarHBondContact O-CB 3.29Å; K609-D613 PolarHBondContact O-N 3.21Å; K609-V634 HydrophobicContact CB-CG1 4.43Å; K609-V634 HydrophobicContact CD-CG1 4.17Å; K609-V634 HydrophobicContact CG-CG1 3.28Å
610E89.8Confident86.3Confident68 Ų6863.9 Ų63.932%0.31832%0.32SS..Hα-helixtrans-59.7-41.2177.2-69.5166.7-174.400112R568 K606 V607 L608 F614R568-E610 WeakPolarHBondContact CD-OE2 3.43Å; R568-E610 IonicContact NH1-OE2 3.56Å; K606-E610 WeakPolarHBondContact CE-OE1 3.32Å; K606-E610 WeakPolarHBondContact O-CG 3.35Å; K606-E610 PolarHBondContact O-N 3.08Å; V607-E610 PolarHBondContact O-N 3.45Å; L608-E610 VanDerWaalsContact C-N 3.34Å; L608-E610 PolarHBondContact O-N 3.04Å; E610-F614 PolarHBondContact O-N 3.42Å; E610-F614 VanDerWaalsContact O-N 3.14Å
611L89.6Confident85.6Confident0 Ų068.1 Ų68.10%034%0.343CS..Hα-helixtrans-64.7-45.2175.2-78.5167.9000112.6L564 L567 R568 I572 I580 V607 L608 K609 F614 L615L564-L611 HydrophobicContact CD2-CD1 4.28Å; L567-L611 HydrophobicContact CB-CD1 4.34Å; L567-L611 HydrophobicContact CB-CD2 4.19Å; R568-L611 HydrophobicContact CB-CD1 4.49Å; R568-L611 HydrophobicContact CB-CD2 4.2Å; R568-L611 HydrophobicContact CB-CG 4.2Å; I572-L611 HydrophobicContact CD1-CD2 3.99Å; I572-L611 HydrophobicContact CG1-CD2 4.08Å; I580-L611 HydrophobicContact CG2-CD2 4.41Å; V607-L611 HydrophobicContact CG1-CD1 4.32Å; V607-L611 WeakPolarHBondContact O-CG 3.26Å; V607-L611 PolarHBondContact O-N 2.59Å; L608-L611 PolarHBondContact O-N 3.17Å; K609-L611 VanDerWaalsContact C-N 3.32Å; K609-L611 PolarHBondContact O-N 3.23Å; L611-F614 PolarHBondContact O-N 3.3Å; L611-L615 WeakPolarHBondContact O-CG 3.39Å; L611-L615 PolarHBondContact O-N 3.36Å; L611-L615 VanDerWaalsContact O-N 3.08Å
612F89.2Confident84.8Confident1 Ų169.7 Ų69.70%0.00435%0.346CS..Hα-helixtrans-70.5-37.1179.1-77.8-61.3000112.5L584 L608 K609 F614 L615 L616 V625 L628 Q629 Y632L584-F612 HydrophobicContact CD1-CE1 4.34Å; L584-F612 HydrophobicContact CD1-CZ 4.46Å; L608-F612 HydrophobicContact CB-CD2 4.43Å; L608-F612 HydrophobicContact CB-CE2 4.47Å; L608-F612 HydrophobicContact CD2-CE2 4.18Å; L608-F612 WeakPolarHBondContact O-CD2 3.25Å; L608-F612 PolarHBondContact O-N 3.39Å; K609-F612 PolarHBondContact O-N 2.87Å; F612-F614 VanDerWaalsContact C-N 3.27Å; F612-F614 PolarHBondContact O-N 2.91Å; F612-L615 HydrophobicContact CD1-CD1 4.11Å; F612-L615 HydrophobicContact CE1-CD1 4.49Å; F612-L615 PolarHBondContact O-N 3.5Å; F612-L615 VanDerWaalsContact O-N 3.16Å; F612-L616 WeakPolarHBondContact O-CB 3.34Å; F612-L616 VanDerWaalsContact O-CG 3.25Å; F612-L616 WeakPolarHBondContact O-CG 3.32Å; F612-L616 PolarHBondContact O-N 2.88Å; F612-V625 HydrophobicContact CD1-CG1 3.9Å; F612-V625 HydrophobicContact CE1-CG1 4.46Å; F612-L628 HydrophobicContact CE1-CB 4.05Å; F612-L628 HydrophobicContact CZ-CB 4.19Å; F612-Q629 HydrophobicContact CB-CG 4.2Å; F612-Q629 HydrophobicContact CD1-CG 3.71Å; F612-Q629 HydrophobicContact CD2-CG 3.84Å; F612-Q629 HydrophobicContact CE1-CG 3.96Å; F612-Q629 HydrophobicContact CE2-CG 4.09Å; F612-Q629 HydrophobicContact CG-CG 3.65Å; F612-Q629 HydrophobicContact CZ-CG 4.15Å; F612-Y632 HydrophobicContact CE2-CD2 4.47Å; F612-Y632 HydrophobicContact CE2-CG 4.41Å; F612-Y632 HydrophobicContact CZ-CD2 4Å; F612-Y632 HydrophobicContact CZ-CG 4.39Å
613D88.3Confident84.4Confident83 Ų8368.4 Ų68.444%0.44434%0.338SS..Hα-helixtrans-60.4-39.9174.2-71.6-20.4000110.8K609 L616 Q617K609-D613 WeakPolarHBondContact O-CB 3.29Å; K609-D613 PolarHBondContact O-N 3.21Å; D613-L616 PolarHBondContact O-N 3.34Å; D613-Q617 VanDerWaalsContact O-CG 3.26Å; D613-Q617 WeakPolarHBondContact O-CG 3.42Å; D613-Q617 PolarHBondContact O-N 3.3Å
614F87.9Confident84.2Confident51 Ų5164.4 Ų64.422%0.22432%0.324CS..Hα-helixtrans-63.1-44.3172.7176.3-106.3000112.4I572 P577 I580 E610 L611 F612 L616 Q617 A618I572-F614 HydrophobicContact CG1-CD1 4.16Å; I572-F614 HydrophobicContact CG1-CE1 4.43Å; I572-F614 HydrophobicContact CG1-CG 4.41Å; I572-F614 HydrophobicContact CG2-CD1 4.36Å; I572-F614 HydrophobicContact CG2-CD2 3.85Å; I572-F614 HydrophobicContact CG2-CE1 4.27Å; I572-F614 HydrophobicContact CG2-CE2 3.75Å; I572-F614 HydrophobicContact CG2-CG 4.15Å; I572-F614 HydrophobicContact CG2-CZ 3.96Å; P577-F614 HydrophobicContact CB-CE1 4.07Å; I580-F614 HydrophobicContact CD1-CD1 4.44Å; I580-F614 HydrophobicContact CD1-CE1 4.11Å; E610-F614 PolarHBondContact O-N 3.42Å; E610-F614 VanDerWaalsContact O-N 3.14Å; L611-F614 PolarHBondContact O-N 3.3Å; F612-F614 VanDerWaalsContact C-N 3.27Å; F612-F614 PolarHBondContact O-N 2.91Å; F614-L616 VanDerWaalsContact C-N 3.33Å; F614-L616 PolarHBondContact O-N 2.9Å; F614-Q617 PolarHBondContact O-N 3.04Å; F614-A618 PolarHBondContact O-N 3.35Å
615L85.1Confident84Confident0 Ų063.7 Ų63.70%032%0.32CS..Hα-helixtrans-63.6-37.6176.7-69.4173.7000112.4P577 I580 L581 L584 L611 F612 A618P577-L615 HydrophobicContact CB-CD2 4.03Å; P577-L615 VanDerWaalsContact O-CD2 3.29Å; P577-L615 WeakPolarHBondContact O-CD2 3.41Å; I580-L615 HydrophobicContact CB-CD2 4.32Å; I580-L615 HydrophobicContact CG2-CD1 4.4Å; I580-L615 HydrophobicContact CG2-CD2 4.36Å; L581-L615 HydrophobicContact CB-CD2 4.41Å; L581-L615 HydrophobicContact CD1-CD1 4.29Å; L584-L615 HydrophobicContact CD1-CD1 4.02Å; L611-L615 WeakPolarHBondContact O-CG 3.39Å; L611-L615 PolarHBondContact O-N 3.36Å; L611-L615 VanDerWaalsContact O-N 3.08Å; F612-L615 HydrophobicContact CD1-CD1 4.11Å; F612-L615 HydrophobicContact CE1-CD1 4.49Å; F612-L615 PolarHBondContact O-N 3.5Å; F612-L615 VanDerWaalsContact O-N 3.16Å; L615-A618 PolarHBondContact O-N 3.34Å
616L83.5Confident83.8Confident51 Ų5162.2 Ų62.227%0.26732%0.319SS..Hα-helixtrans-67.7-38.7176-70172.7000111.8F612 D613 F614 A618 Q619 V625F612-L616 WeakPolarHBondContact O-CB 3.34Å; F612-L616 VanDerWaalsContact O-CG 3.25Å; F612-L616 WeakPolarHBondContact O-CG 3.32Å; F612-L616 PolarHBondContact O-N 2.88Å; D613-L616 PolarHBondContact O-N 3.34Å; F614-L616 VanDerWaalsContact C-N 3.33Å; F614-L616 PolarHBondContact O-N 2.9Å; L616-A618 VanDerWaalsContact C-N 3.28Å; L616-A618 PolarHBondContact O-N 3.41Å; L616-Q619 PolarHBondContact O-N 2.74Å; L616-V625 HydrophobicContact CD2-CB 4.49Å; L616-V625 HydrophobicContact CD2-CG1 3.84Å; L616-V625 HydrophobicContact CG-CG1 4.19Å
617Q84.3Confident83.6Confident154 Ų15460 Ų6072%0.7231%0.314SS*.Hα-helixtrans-65.3-31.4174.4-73.9172.314.900112.5D613 F614 Q619D613-Q617 VanDerWaalsContact O-CG 3.26Å; D613-Q617 WeakPolarHBondContact O-CG 3.42Å; D613-Q617 PolarHBondContact O-N 3.3Å; F614-Q617 PolarHBondContact O-N 3.04Å; Q617-Q619 PolarHBondContact O-N 3.13Å
618A81.1Confident83.4Confident40 Ų4060.5 Ų60.533%0.33132%0.316SS..THydrogen-bonded Turntrans-75.7-0.7178.300000114.7P577 F614 L615 L616 L620P577-A618 HydrophobicContact CB-CB 3.87Å; P577-A618 HydrophobicContact CG-CB 3.78Å; F614-A618 PolarHBondContact O-N 3.35Å; L615-A618 PolarHBondContact O-N 3.34Å; L616-A618 VanDerWaalsContact C-N 3.28Å; L616-A618 PolarHBondContact O-N 3.41Å; A618-L620 PolarHBondContact O-N 2.98Å
619Q73.3Confident83.3Confident172 Ų17262.5 Ų62.580%0.80433%0.326SS*.THydrogen-bonded Turntrans57.324.6178-58.7-178.412.500115.6L616 Q617L616-Q619 PolarHBondContact O-N 2.74Å; Q617-Q619 PolarHBondContact O-N 3.13Å
620L67.4Low83.2Confident41 Ų4164.4 Ų64.422%0.21533%0.334CS..  trans-76.7156.2171.8-69.5170000111.2P577 T578 A618 Q622P577-L620 HydrophobicContact CB-CD1 3.6Å; P577-L620 HydrophobicContact CG-CD1 3.79Å; T578-L620 HydrophobicContact CG2-CD1 4.01Å; T578-L620 HydrophobicContact CG2-CD2 3.75Å; A618-L620 PolarHBondContact O-N 2.98Å; L620-Q622 PolarHBondContact O-N 2.69Å
621D71Confident83.2Confident111 Ų11166 Ų6659%0.59434%0.34SS*.  trans-27.786-174.6-69.9-29.9000115.5P623 T624 V625D621-P623 VanDerWaalsContact C-N 3.31Å; D621-P623 WeakPolarHBondContact O-CD 3.46Å; D621-P623 VanDerWaalsContact O-N 3.09Å; D621-T624 HydrophobicContact CB-CG2 4.16Å; D621-T624 WeakPolarHBondContact CB-OG1 3.28Å; D621-T624 PolarHBondContact O-N 2.92Å; D621-T624 PolarHBondContact O-OG1 3.49Å; D621-V625 PolarHBondContact O-N 3.08Å
622Q74.7Confident83.2Confident94 Ų9466 Ų6644%0.43934%0.34SS..Hα-helixtrans-45.1-40.8179.1-66.9-71.4-20.200115.3L620 S626L620-Q622 PolarHBondContact O-N 2.69Å; Q622-S626 WeakPolarHBondContact O-CB 3.43Å; Q622-S626 PolarHBondContact O-N 3.29Å
623P79.8Confident82.9Confident88 Ų8868 Ų6857%0.57136%0.361SS*.Hα-helixtrans-67.1-39.3178.325.5-35.1000113.3D621 S626 D627D621-P623 VanDerWaalsContact C-N 3.31Å; D621-P623 WeakPolarHBondContact O-CD 3.46Å; D621-P623 VanDerWaalsContact O-N 3.09Å; P623-S626 PolarHBondContact O-N 3.48Å; P623-D627 PolarHBondContact O-N 3.45Å
624T83.1Confident82.4Confident60 Ų6067.1 Ų67.137%0.36836%0.358SS..Hα-helixtrans-70.8-36.7-178.863.30000110.8D621 D627 L628D621-T624 HydrophobicContact CB-CG2 4.16Å; D621-T624 WeakPolarHBondContact CB-OG1 3.28Å; D621-T624 PolarHBondContact O-N 2.92Å; D621-T624 PolarHBondContact O-OG1 3.49Å; T624-D627 PolarHBondContact O-N 3.37Å; T624-L628 WeakPolarHBondContact O-CB 3.4Å; T624-L628 WeakPolarHBondContact O-CG 3.31Å; T624-L628 PolarHBondContact O-N 2.95Å
625V84.8Confident82.1Confident0 Ų068 Ų680%037%0.365CS..Hα-helixtrans-62.8-45.9173.6179.60000110.9L581 F612 L616 D621 D627 L628 Q629L581-V625 HydrophobicContact CD1-CG2 3.88Å; F612-V625 HydrophobicContact CD1-CG1 3.9Å; F612-V625 HydrophobicContact CE1-CG1 4.46Å; L616-V625 HydrophobicContact CD2-CB 4.49Å; L616-V625 HydrophobicContact CD2-CG1 3.84Å; L616-V625 HydrophobicContact CG-CG1 4.19Å; D621-V625 PolarHBondContact O-N 3.08Å; V625-D627 PolarHBondContact O-N 3.2Å; V625-L628 PolarHBondContact O-N 3.26Å; V625-Q629 WeakPolarHBondContact O-CG 3.49Å; V625-Q629 PolarHBondContact O-N 3.48Å
626S84.3Confident81.9Confident47 Ų4771.5 Ų71.533%0.32938%0.384SS..Hα-helixtrans-64.9-38.4178.8-171.90000112.8Q622 P623 Q629 K630Q622-S626 WeakPolarHBondContact O-CB 3.43Å; Q622-S626 PolarHBondContact O-N 3.29Å; P623-S626 PolarHBondContact O-N 3.48Å; S626-Q629 PolarHBondContact O-N 3.42Å; S626-K630 WeakPolarHBondContact O-CG 3.39Å; S626-K630 PolarHBondContact O-N 3.15Å
627D86.6Confident81.9Confident87 Ų8772.7 Ų72.747%0.46539%0.391SS..Hα-helixtrans-69.1-35176.1-74.5-18.9000112.2P623 T624 V625 K630 K631P623-D627 PolarHBondContact O-N 3.45Å; T624-D627 PolarHBondContact O-N 3.37Å; V625-D627 PolarHBondContact O-N 3.2Å; D627-K630 IonicContact OD1-NZ 3.35Å; D627-K631 WeakPolarHBondContact O-CG 3.44Å; D627-K631 PolarHBondContact O-N 3.1Å
628L88.3Confident81.7Confident16 Ų1667.9 Ų67.98%0.08437%0.371CS..Hα-helixtrans-68.4-43.7172.4-73.7172.1000111.7L581 A588 F612 T624 V625 K630 K631 Y632L581-L628 HydrophobicContact CD1-CD1 3.74Å; A588-L628 HydrophobicContact CB-CD2 3.84Å; F612-L628 HydrophobicContact CE1-CB 4.05Å; F612-L628 HydrophobicContact CZ-CB 4.19Å; T624-L628 WeakPolarHBondContact O-CB 3.4Å; T624-L628 WeakPolarHBondContact O-CG 3.31Å; T624-L628 PolarHBondContact O-N 2.95Å; V625-L628 PolarHBondContact O-N 3.26Å; L628-K630 VanDerWaalsContact C-N 3.25Å; L628-K630 PolarHBondContact O-N 2.97Å; L628-K631 HydrophobicContact CD2-CD 4.43Å; L628-K631 WeakPolarHBondContact O-CB 3.25Å; L628-K631 PolarHBondContact O-N 3.01Å; L628-Y632 HydrophobicContact CD2-CE2 4.49Å; L628-Y632 WeakPolarHBondContact O-CD2 3.31Å; L628-Y632 PolarHBondContact O-N 3Å
629Q87.8Confident81.8Confident43 Ų4369.6 Ų69.620%0.20137%0.374CS..Hα-helixtrans-52.3-45.5174.9-77.6176-17.200111.7F612 V625 S626 K631 Y632 G633 V634F612-Q629 HydrophobicContact CB-CG 4.2Å; F612-Q629 HydrophobicContact CD1-CG 3.71Å; F612-Q629 HydrophobicContact CD2-CG 3.84Å; F612-Q629 HydrophobicContact CE1-CG 3.96Å; F612-Q629 HydrophobicContact CE2-CG 4.09Å; F612-Q629 HydrophobicContact CG-CG 3.65Å; F612-Q629 HydrophobicContact CZ-CG 4.15Å; V625-Q629 WeakPolarHBondContact O-CG 3.49Å; V625-Q629 PolarHBondContact O-N 3.48Å; S626-Q629 PolarHBondContact O-N 3.42Å; Q629-K631 PolarHBondContact O-N 3.22Å; Q629-Y632 PolarHBondContact O-N 3.47Å; Q629-G633 PolarHBondContact O-N 3.44Å; Q629-G633 VanDerWaalsContact O-N 3.08Å; Q629-V634 PolarHBondContact O-N 2.89Å
630K88.6Confident82.3Confident146 Ų14662.8 Ų62.864%0.63535%0.345SS*.Hα-helixtrans-60.5-42175.3-69.1172.1-169.6160.80112.7S626 D627 L628 Y632 G633S626-K630 WeakPolarHBondContact O-CG 3.39Å; S626-K630 PolarHBondContact O-N 3.15Å; D627-K630 IonicContact OD1-NZ 3.35Å; L628-K630 VanDerWaalsContact C-N 3.25Å; L628-K630 PolarHBondContact O-N 2.97Å; K630-Y632 VanDerWaalsContact C-N 3.34Å; K630-Y632 PolarHBondContact O-N 3.49Å; K630-G633 PolarHBondContact O-N 3.39Å
631K88.9Confident83.4Confident101 Ų10164.4 Ų64.444%0.43935%0.354SS..Hα-helixtrans-65.9-35.2178.8-73.7-179.8-178179.60112.8A588 F593 D627 L628 Q629 G633A588-K631 HydrophobicContact CB-CD 4.3Å; F593-K631 HydrophobicContact CE1-CB 4.26Å; D627-K631 WeakPolarHBondContact O-CG 3.44Å; D627-K631 PolarHBondContact O-N 3.1Å; L628-K631 HydrophobicContact CD2-CD 4.43Å; L628-K631 WeakPolarHBondContact O-CB 3.25Å; L628-K631 PolarHBondContact O-N 3.01Å; Q629-K631 PolarHBondContact O-N 3.22Å; K631-G633 VanDerWaalsContact C-N 3.31Å
632Y88.6Confident84.3Confident0 Ų060.8 Ų60.80%034%0.336CS..Hα-helixtrans-82.6-5.1176.9-80.7-90.8000113.5L584 L587 A588 F593 V597 L608 F612 L628 Q629 K630L584-Y632 HydrophobicContact CB-CE2 4.42Å; L584-Y632 HydrophobicContact CD2-CE1 4.49Å; L584-Y632 PolarHBondContact O-OH 3.2Å; L587-Y632 WeakPolarHBondContact CB-OH 3.3Å; A588-Y632 HydrophobicContact CB-CE2 3.99Å; F593-Y632 HydrophobicContact CE2-CD1 4.11Å; F593-Y632 AromaticContact CE2-CE1 3.49Å; F593-Y632 HydrophobicContact CE2-CE1 3.49Å; F593-Y632 VanDerWaalsContact CE2-CE1 3.49Å; F593-Y632 HydrophobicContact CE2-CE2 4.19Å; F593-Y632 AromaticContact CE2-CZ 3.52Å; F593-Y632 AromaticContact CZ-CD1 3.6Å; F593-Y632 HydrophobicContact CZ-CD1 3.6Å; F593-Y632 AromaticContact CZ-CD2 3.82Å; F593-Y632 HydrophobicContact CZ-CD2 3.82Å; F593-Y632 AromaticContact CZ-CE1 3.38Å; F593-Y632 HydrophobicContact CZ-CE1 3.38Å; F593-Y632 AromaticContact CZ-CE2 3.6Å; F593-Y632 HydrophobicContact CZ-CE2 3.6Å; F593-Y632 AromaticContact CZ-CG 3.82Å; F593-Y632 HydrophobicContact CZ-CG 3.82Å; F593-Y632 AromaticContact CZ-CZ 3.37Å; V597-Y632 VanDerWaalsContact CG1-O 3.27Å; V597-Y632 WeakPolarHBondContact CG1-O 3.29Å; V597-Y632 HydrophobicContact CG2-CD1 4.46Å; L608-Y632 HydrophobicContact CD1-CD1 3.77Å; L608-Y632 HydrophobicContact CD1-CG 4.36Å; L608-Y632 HydrophobicContact CD2-CD1 3.92Å; L608-Y632 HydrophobicContact CD2-CE1 4.22Å; L608-Y632 HydrophobicContact CD2-CG 4.49Å; F612-Y632 HydrophobicContact CE2-CD2 4.47Å; F612-Y632 HydrophobicContact CE2-CG 4.41Å; F612-Y632 HydrophobicContact CZ-CD2 4Å; F612-Y632 HydrophobicContact CZ-CG 4.39Å; L628-Y632 HydrophobicContact CD2-CE2 4.49Å; L628-Y632 WeakPolarHBondContact O-CD2 3.31Å; L628-Y632 PolarHBondContact O-N 3Å; Q629-Y632 PolarHBondContact O-N 3.47Å; K630-Y632 VanDerWaalsContact C-N 3.34Å; K630-Y632 PolarHBondContact O-N 3.49Å
633G82.9Confident85.1Confident43 Ų4358 Ų5844%0.44333%0.327SS..THydrogen-bonded Turntrans6834.9176.100000113.7Q629 K630 K631Q629-G633 PolarHBondContact O-N 3.44Å; Q629-G633 VanDerWaalsContact O-N 3.08Å; K630-G633 PolarHBondContact O-N 3.39Å; K631-G633 VanDerWaalsContact C-N 3.31Å
634V78.2Confident85.6Confident65 Ų6555.3 Ų55.339%0.39431%0.305SS..  trans-111.30-176.2172.70000112.3L608 K609 Q629L608-V634 HydrophobicContact CB-CG2 3.9Å; L608-V634 HydrophobicContact CD1-CG2 3.86Å; K609-V634 HydrophobicContact CB-CG1 4.43Å; K609-V634 HydrophobicContact CD-CG1 4.17Å; K609-V634 HydrophobicContact CG-CG1 3.28Å; Q629-V634 PolarHBondContact O-N 2.89Å

Retrieved 634 of 634 residues in 1275 ms (Link to these results)