A0A087X5C2_POEFO Loading...

Leucine rich repeat containing 47

AlphaFold DB , UniProt , Accession A0A087X5C2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 555 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
1M34.2Very low67.9Low248 Ų248110.2 Ų110.2100%1.22256%0.559SS**  089.40-72.5173.4177.400106.8
2T37.6Very low69.9Low138 Ų138109.3 Ų109.385%0.84755%0.548SS*.  trans-71.3128.8-175.931.90000109.2M4T2-M4 PolarHBondContact O-N 3.05Å
3N38.8Very low71.7Confident158 Ų158101 Ų10185%0.84551%0.507SS*.  trans-52.3105.8173.4-121.6-10.3000108E5N3-E5 VanDerWaalsContact C-N 3.3Å; N3-E5 PolarHBondContact O-N 2.9Å
4M51Low73.2Confident175 Ų17597.4 Ų97.486%0.86250%0.501SS*.  trans-61.3100.7163.8-80.1-178.3158.600105.6T2 K6T2-M4 PolarHBondContact O-N 3.05Å; M4-K6 PolarHBondContact O-N 3.26Å
5E59.9Low74.5Confident90 Ų9098.9 Ų98.942%0.42152%0.517SS..  trans-57.7106.7170-76.8-170.214600106.7N3 W7 R31N3-E5 VanDerWaalsContact C-N 3.3Å; N3-E5 PolarHBondContact O-N 2.9Å; E5-W7 PolarHBondContact O-N 3.36Å; E5-R31 HydrophobicContact CB-CG 4.33Å; E5-R31 WeakPolarHBondContact OE2-CG 3.3Å
6K73.4Confident75.8Confident151 Ų15199.3 Ų99.366%0.65752%0.515SS*.  trans-61.2137.7-176.8-68.9-174.1177.7-174.60108.8M4 P8M4-K6 PolarHBondContact O-N 3.26Å; K6-P8 WeakPolarHBondContact O-CD 3.3Å
7W88.4Confident76.8Confident12 Ų12101.5 Ų101.55%0.04552%0.523CS..  trans-102.577.6172.6-74.874.9000108.1E5 E9 I10 E11 L23 V28 R31 I32 L38 P39E5-W7 PolarHBondContact O-N 3.36Å; W7-E9 PolarHBondContact O-N 2.87Å; W7-E9 VanDerWaalsContact O-N 3.1Å; W7-I10 HydrophobicContact CB-CB 3.98Å; W7-I10 HydrophobicContact CB-CD1 3.74Å; W7-I10 HydrophobicContact CB-CG1 3.91Å; W7-I10 HydrophobicContact CD2-CD1 3.78Å; W7-I10 HydrophobicContact CE3-CD1 3.54Å; W7-I10 HydrophobicContact CE3-CG1 4.12Å; W7-I10 HydrophobicContact CG-CD1 3.91Å; W7-I10 HydrophobicContact CZ3-CD1 4.31Å; W7-I10 PolarHBondContact O-N 2.94Å; W7-E11 PolarHBondContact O-N 2.77Å; W7-L23 HydrophobicContact CE3-CD2 4.3Å; W7-L23 HydrophobicContact CZ3-CD1 3.98Å; W7-L23 HydrophobicContact CZ3-CD2 4.19Å; W7-V28 HydrophobicContact CH2-CG1 3.96Å; W7-V28 HydrophobicContact CZ3-CG1 3.87Å; W7-R31 HydrophobicContact CH2-CB 4.23Å; W7-R31 HydrophobicContact CZ2-CB 3.61Å; W7-I32 HydrophobicContact CH2-CD1 4.39Å; W7-I32 HydrophobicContact CH2-CG1 3.68Å; W7-I32 HydrophobicContact CZ2-CG1 4.17Å; W7-L38 HydrophobicContact CH2-CD2 4.25Å; W7-P39 HydrophobicContact CD2-CG 3.92Å; W7-P39 HydrophobicContact CG-CG 4.06Å; W7-P39 HydrophobicContact CZ2-CG 4.25Å
8P88.5Confident77.8Confident70 Ų70101.8 Ų101.846%0.45552%0.516SS..Hα-helixtrans-57.4-28.8-174.624-35.8000112.5K6 K12K6-P8 WeakPolarHBondContact O-CD 3.3Å; P8-K12 WeakPolarHBondContact O-CB 3.17Å; P8-K12 PolarHBondContact O-N 2.88Å
9E91.4Very high78.7Confident66 Ų66103.7 Ų103.731%0.30852%0.516SS..Hα-helixtrans-64.7-41.5176.4-54.290.1157.100111.8W7 A13 L21 L23 R31W7-E9 PolarHBondContact O-N 2.87Å; W7-E9 VanDerWaalsContact O-N 3.1Å; E9-A13 WeakPolarHBondContact O-CB 3.49Å; E9-A13 PolarHBondContact O-N 3.01Å; E9-L21 HydrophobicContact CB-CD1 4.3Å; E9-L23 HydrophobicContact CB-CD2 3.96Å; E9-L23 HydrophobicContact CG-CD2 4.46Å; E9-R31 IonicContact OE1-CZ 3.81Å; E9-R31 IonicContact OE1-NH1 3.92Å; E9-R31 PolarHBondContact OE1-NH1 3.44Å; E9-R31 IonicContact OE1-NH2 2.66Å; E9-R31 PolarHBondContact OE1-NH2 2.87Å; E9-R31 IonicContact OE2-CZ 3.6Å; E9-R31 IonicContact OE2-NH1 2.84Å; E9-R31 PolarHBondContact OE2-NH1 2.82Å; E9-R31 IonicContact OE2-NH2 2.84Å
10I92.3Very high79.6Confident4 Ų4105.3 Ų105.32%0.02152%0.522CS..Hα-helixtrans-73.9-45178.7-59.6179.6000110W7 K12 A13 A14 L21 P39 L42 L45W7-I10 HydrophobicContact CB-CB 3.98Å; W7-I10 HydrophobicContact CB-CD1 3.74Å; W7-I10 HydrophobicContact CB-CG1 3.91Å; W7-I10 HydrophobicContact CD2-CD1 3.78Å; W7-I10 HydrophobicContact CE3-CD1 3.54Å; W7-I10 HydrophobicContact CE3-CG1 4.12Å; W7-I10 HydrophobicContact CG-CD1 3.91Å; W7-I10 HydrophobicContact CZ3-CD1 4.31Å; W7-I10 PolarHBondContact O-N 2.94Å; I10-K12 VanDerWaalsContact C-N 3.29Å; I10-K12 PolarHBondContact O-N 2.88Å; I10-A13 PolarHBondContact O-N 3.46Å; I10-A14 PolarHBondContact O-N 3.06Å; I10-L21 HydrophobicContact CG1-CD2 4.23Å; I10-P39 HydrophobicContact CD1-CG 3.49Å; I10-P39 VanDerWaalsContact CD1-CG 3.49Å; I10-L42 HydrophobicContact CD1-CB 4.12Å; I10-L42 HydrophobicContact CD1-CD1 4.3Å; I10-L42 HydrophobicContact CG1-CD1 4.45Å; I10-L45 HydrophobicContact CG2-CD1 4.04Å
11E91.8Very high80.5Confident100 Ų100100.7 Ų100.747%0.46750%0.499SS..Hα-helixtrans-60-41.2176.9-69.9177.6-171.600111.6W7 A14 T15W7-E11 PolarHBondContact O-N 2.77Å; E11-A14 WeakPolarHBondContact O-CB 3.46Å; E11-A14 PolarHBondContact O-N 3.21Å; E11-T15 WeakPolarHBondContact O-CB 3.48Å; E11-T15 PolarHBondContact O-N 2.93Å; E11-T15 PolarHBondContact O-OG1 3.01Å
12K92.1Very high83.4Confident99 Ų9991.8 Ų91.843%0.4346%0.459SS..Hα-helixtrans-66.1-43.4175.6-171.8177.1-169.4-178.80111.7P8 I10 A14 T15 E16P8-K12 WeakPolarHBondContact O-CB 3.17Å; P8-K12 PolarHBondContact O-N 2.88Å; I10-K12 VanDerWaalsContact C-N 3.29Å; I10-K12 PolarHBondContact O-N 2.88Å; K12-A14 VanDerWaalsContact C-N 3.3Å; K12-A14 PolarHBondContact O-N 3.28Å; K12-T15 PolarHBondContact O-N 3.47Å; K12-E16 WeakPolarHBondContact CE-OE1 3.34Å; K12-E16 HydrophobicContact CG-CG 4.31Å; K12-E16 WeakPolarHBondContact CG-OE1 3.22Å; K12-E16 IonicContact NZ-OE1 2.75Å; K12-E16 WeakPolarHBondContact O-CB 3.37Å; K12-E16 PolarHBondContact O-N 2.82Å
13A92.9Very high86.1Confident2 Ų285.2 Ų85.22%0.01742%0.419CS..Hα-helixtrans-61.5-39175.800000112.2E9 I10 Q17 R18 L21 L45E9-A13 WeakPolarHBondContact O-CB 3.49Å; E9-A13 PolarHBondContact O-N 3.01Å; I10-A13 PolarHBondContact O-N 3.46Å; A13-Q17 WeakPolarHBondContact O-CA 3.32Å; A13-Q17 PolarHBondContact O-N 3.04Å; A13-Q17 VanDerWaalsContact O-N 3.13Å; A13-R18 HydrophobicContact CB-CB 4.18Å; A13-R18 PolarHBondContact O-N 2.99Å; A13-L21 HydrophobicContact CB-CD1 4.24Å; A13-L45 HydrophobicContact CB-CD1 3.96Å
14A92.5Very high88.6Confident51 Ų5182.8 Ų82.842%0.42140%0.402SS..Hα-helixtrans-63.5-50.6174.100000112I10 E11 K12 Q17 L45I10-A14 PolarHBondContact O-N 3.06Å; E11-A14 WeakPolarHBondContact O-CB 3.46Å; E11-A14 PolarHBondContact O-N 3.21Å; K12-A14 VanDerWaalsContact C-N 3.3Å; K12-A14 PolarHBondContact O-N 3.28Å; A14-Q17 PolarHBondContact O-N 3.23Å; A14-L45 HydrophobicContact CB-CD2 3.63Å
15T93.3Very high90.1Very high120 Ų12075.5 Ų75.574%0.73637%0.372SS*.Hα-helixtrans-67.8-41.6-174.5-53.90000112E11 K12 Q17E11-T15 WeakPolarHBondContact O-CB 3.48Å; E11-T15 PolarHBondContact O-N 2.93Å; E11-T15 PolarHBondContact O-OG1 3.01Å; K12-T15 PolarHBondContact O-N 3.47Å; T15-Q17 VanDerWaalsContact C-N 3.33Å
16E94.6Very high91.4Very high105 Ų10573.6 Ų73.649%0.49138%0.376SS..THydrogen-bonded Turntrans-89.63.7-178.5-63.8178.6-169.800113.1K12 R18K12-E16 WeakPolarHBondContact CE-OE1 3.34Å; K12-E16 HydrophobicContact CG-CG 4.31Å; K12-E16 WeakPolarHBondContact CG-OE1 3.22Å; K12-E16 IonicContact NZ-OE1 2.75Å; K12-E16 WeakPolarHBondContact O-CB 3.37Å; K12-E16 PolarHBondContact O-N 2.82Å; E16-R18 VanDerWaalsContact C-N 3.25Å; E16-R18 HydrophobicContact CB-CG 3.98Å; E16-R18 PolarHBondContact O-N 2.89Å; E16-R18 IonicContact OE1-NH2 3.81Å; E16-R18 IonicContact OE2-CZ 3.91Å; E16-R18 IonicContact OE2-NE 2.8Å; E16-R18 PolarHBondContact OE2-NE 3.47Å; E16-R18 IonicContact OE2-NH2 3.33Å; E16-R18 PolarHBondContact OE2-NH2 3.12Å
17Q92.8Very high92Very high137 Ų13768.7 Ų68.764%0.6437%0.368SS*.THydrogen-bonded Turntrans50.543.8-177.4-61.4-172.7-11.100113.2A13 A14 T15 L47A13-Q17 WeakPolarHBondContact O-CA 3.32Å; A13-Q17 PolarHBondContact O-N 3.04Å; A13-Q17 VanDerWaalsContact O-N 3.13Å; A14-Q17 PolarHBondContact O-N 3.23Å; T15-Q17 VanDerWaalsContact C-N 3.33Å; Q17-L47 HydrophobicContact CB-CD1 3.84Å; Q17-L47 HydrophobicContact CG-CD1 4.08Å
18R94.8Very high92.1Very high107 Ų10768.3 Ų68.340%0.40437%0.367SS..  trans-66.5147.2-178.2-65.1-175.7175.1-149.3-11.3110.9A13 E16A13-R18 HydrophobicContact CB-CB 4.18Å; A13-R18 PolarHBondContact O-N 2.99Å; E16-R18 VanDerWaalsContact C-N 3.25Å; E16-R18 HydrophobicContact CB-CG 3.98Å; E16-R18 PolarHBondContact O-N 2.89Å; E16-R18 IonicContact OE1-NH2 3.81Å; E16-R18 IonicContact OE2-CZ 3.91Å; E16-R18 IonicContact OE2-NE 2.8Å; E16-R18 PolarHBondContact OE2-NE 3.47Å; E16-R18 IonicContact OE2-NH2 3.33Å; E16-R18 PolarHBondContact OE2-NH2 3.12Å
19R95.9Very high92.3Very high137 Ų13766.2 Ų66.252%0.51735%0.352SS..SBendtrans-97-3.9175.2-56.7-170.2-175.9-79.2-0.6113.1N49 Y50R19-N49 HydrophobicContact CB-CB 4.39Å; R19-N49 PolarHBondContact O-N 3.04Å; R19-Y50 PolarHBondContact O-N 3.25Å
20E96.7Very high92.2Very high135 Ų13570.2 Ų70.263%0.63137%0.369SS*.EExtended strand (participates in β ladder)trans-136.1136.6-176-52-176.517000109.2Y50E20-Y50 WeakPolarHBondContact CA-O 3.23Å; E20-Y50 HydrophobicContact CB-CD1 4.38Å
21L96.8Very high92.1Very high10 Ų1071.8 Ų71.85%0.05237%0.374CS..EExtended strand (participates in β ladder)trans-140.3128.3176.3-179.360.7000109.8E9 I10 A13 L23 L42 L45 L48 Y50 L51 E52E9-L21 HydrophobicContact CB-CD1 4.3Å; I10-L21 HydrophobicContact CG1-CD2 4.23Å; A13-L21 HydrophobicContact CB-CD1 4.24Å; L21-L23 HydrophobicContact CD1-CD2 4.12Å; L21-L23 HydrophobicContact CD1-CG 4.42Å; L21-L23 HydrophobicContact CD2-CD1 4.36Å; L21-L23 HydrophobicContact CG-CD2 4.39Å; L21-L23 HydrophobicContact CG-CG 4.17Å; L21-L42 HydrophobicContact CD2-CD1 3.25Å; L21-L45 HydrophobicContact CD2-CD1 3.99Å; L21-L48 HydrophobicContact CB-CD1 4.18Å; L21-L48 HydrophobicContact CB-CD2 3.8Å; L21-L48 HydrophobicContact CD2-CD1 4.24Å; L21-Y50 PolarHBondContact N-O 3.02Å; L21-L51 HydrophobicContact CB-CD1 4.25Å; L21-L51 HydrophobicContact CD2-CD1 4.23Å; L21-L51 HydrophobicContact CG-CD1 4.29Å; L21-L51 WeakPolarHBondContact O-CA 3.34Å; L21-E52 PolarHBondContact O-N 3.3Å
22V96.4Very high92Very high60 Ų6067 Ų6736%0.36435%0.352SS..EExtended strand (participates in β ladder)trans-122.4122.8178.9-179.10000108.1Q24 Y50 E52V22-Q24 HydrophobicContact CG1-CG 4.14Å; V22-Y50 HydrophobicContact CG2-CD1 4.5Å; V22-Y50 HydrophobicContact CG2-CE1 3.94Å; V22-E52 CarbonylContact C-O 3.36Å; V22-E52 WeakPolarHBondContact CA-O 3.41Å; V22-E52 HydrophobicContact CG1-CB 4.25Å; V22-E52 HydrophobicContact CG1-CG 4.36Å; V22-E52 HydrophobicContact CG2-CB 4.27Å
23L93.9Very high91.9Very high1 Ų166.1 Ų66.11%0.00536%0.358CS..EExtended strand (participates in β ladder)trans-122104.7178.6-60.6174.2000107.9W7 E9 L21 V28 L38 L42 E52 V53 S54W7-L23 HydrophobicContact CE3-CD2 4.3Å; W7-L23 HydrophobicContact CZ3-CD1 3.98Å; W7-L23 HydrophobicContact CZ3-CD2 4.19Å; E9-L23 HydrophobicContact CB-CD2 3.96Å; E9-L23 HydrophobicContact CG-CD2 4.46Å; L21-L23 HydrophobicContact CD1-CD2 4.12Å; L21-L23 HydrophobicContact CD1-CG 4.42Å; L21-L23 HydrophobicContact CD2-CD1 4.36Å; L21-L23 HydrophobicContact CG-CD2 4.39Å; L21-L23 HydrophobicContact CG-CG 4.17Å; L23-V28 HydrophobicContact CB-CG1 4.03Å; L23-V28 HydrophobicContact CB-CG2 4.36Å; L23-L38 HydrophobicContact CD1-CD2 4.31Å; L23-L42 HydrophobicContact CD1-CD1 4.39Å; L23-E52 PolarHBondContact N-O 2.97Å; L23-V53 HydrophobicContact CB-CG1 4.31Å; L23-V53 HydrophobicContact CB-CG2 4.25Å; L23-V53 HydrophobicContact CD1-CG2 4.17Å; L23-V53 VanDerWaalsContact O-CA 3.28Å; L23-V53 WeakPolarHBondContact O-CA 3.42Å; L23-S54 PolarHBondContact O-N 3.38Å
24Q91.7Very high91.6Very high107 Ų10770 Ų7050%0.539%0.385SS..EExtended strand (participates in β ladder)trans-140.2153.7-176.761.9178-23.500112.8V22 S54V22-Q24 HydrophobicContact CG1-CG 4.14Å; Q24-S54 WeakPolarHBondContact CA-O 3.5Å
25G82.6Confident91.2Very high22 Ų2270.9 Ų70.923%0.22739%0.387CS..SBendtrans91.5170.9170.300000115.2G27 V28 D29G25-G27 PolarHBondContact O-N 3.05Å; G25-G27 VanDerWaalsContact O-N 3.11Å; G25-V28 PolarHBondContact O-N 3.44Å; G25-D29 PolarHBondContact O-N 3.47Å; G25-D29 VanDerWaalsContact O-N 3.14Å
26G85.9Confident90.6Very high49 Ų4968.4 Ų68.451%0.50539%0.386SS..Hα-helixtrans-63.2-22-169.500000115.6K30G26-K30 VanDerWaalsContact O-CG 3.32Å; G26-K30 WeakPolarHBondContact O-CG 3.38Å; G26-K30 PolarHBondContact O-N 3Å
27G87.4Confident90.2Very high48 Ų4864.3 Ų64.350%0.49537%0.372SS..Hα-helixtrans-72.9-33.8174.800000113.1G25 R31G25-G27 PolarHBondContact O-N 3.05Å; G25-G27 VanDerWaalsContact O-N 3.11Å; G27-R31 PolarHBondContact O-NE 3.46Å; G27-R31 VanDerWaalsContact O-NE 3.08Å
28V90.6Very high90Very high5 Ų558.8 Ų58.83%0.0335%0.347CS..Hα-helixtrans-71.1-44.4170.6172.90000109.4W7 L23 G25 K30 R31 I32W7-V28 HydrophobicContact CH2-CG1 3.96Å; W7-V28 HydrophobicContact CZ3-CG1 3.87Å; L23-V28 HydrophobicContact CB-CG1 4.03Å; L23-V28 HydrophobicContact CB-CG2 4.36Å; G25-V28 PolarHBondContact O-N 3.44Å; V28-K30 PolarHBondContact O-N 2.64Å; V28-R31 WeakPolarHBondContact O-CB 3.21Å; V28-R31 PolarHBondContact O-N 2.86Å; V28-I32 HydrophobicContact CG1-CD1 3.76Å; V28-I32 HydrophobicContact CG1-CG1 4.23Å; V28-I32 WeakPolarHBondContact O-CG1 3.34Å; V28-I32 PolarHBondContact O-N 2.66Å
29D91.2Very high89.8Confident26 Ų2654.8 Ų54.814%0.13934%0.335CS..Hα-helixtrans-57.8-43.3179.5-173.460.5000113.3G25 R31 I32 S33 C56 P57 S58G25-D29 PolarHBondContact O-N 3.47Å; G25-D29 VanDerWaalsContact O-N 3.14Å; D29-R31 VanDerWaalsContact C-N 3.31Å; D29-R31 PolarHBondContact O-N 3.28Å; D29-I32 PolarHBondContact O-N 2.61Å; D29-S33 WeakPolarHBondContact O-CB 3.26Å; D29-S33 PolarHBondContact O-N 3.21Å; D29-C56 HydrophobicContact CB-CB 4.43Å; D29-C56 VanDerWaalsContact OD1-C 3.26Å; D29-C56 WeakPolarHBondContact OD1-CA 3.46Å; D29-P57 VanDerWaalsContact CG-CD 3.48Å; D29-P57 WeakPolarHBondContact OD1-CD 3.47Å; D29-P57 VanDerWaalsContact OD1-N 3.13Å; D29-S58 VanDerWaalsContact CG-OG 3.31Å; D29-S58 WeakPolarHBondContact OD1-CA 3.28Å; D29-S58 WeakPolarHBondContact OD1-CB 3.41Å; D29-S58 PolarHBondContact OD1-N 3.19Å; D29-S58 PolarHBondContact OD1-OG 3.29Å; D29-S58 PolarHBondContact OD2-OG 3.26Å
30K89.4Confident89.4Confident150 Ų15051.8 Ų51.865%0.65234%0.335SS*.Hα-helixtrans-59.4-39.9174.4-75.7176.6-177.1-175.60112.8G26 V28 S33 S34G26-K30 VanDerWaalsContact O-CG 3.32Å; G26-K30 WeakPolarHBondContact O-CG 3.38Å; G26-K30 PolarHBondContact O-N 3Å; V28-K30 PolarHBondContact O-N 2.64Å; K30-S33 PolarHBondContact O-N 3.36Å; K30-S34 WeakPolarHBondContact O-CB 3.37Å; K30-S34 PolarHBondContact O-N 2.85Å; K30-S34 PolarHBondContact O-OG 2.84Å
31R90.9Very high89.1Confident36 Ų3648.1 Ų48.114%0.13632%0.324CS..Hα-helixtrans-69.1-42176.8-72.9179-77.3-176.72.9111.2E5 W7 E9 G27 V28 D29 S33 S34 C35E5-R31 HydrophobicContact CB-CG 4.33Å; E5-R31 WeakPolarHBondContact OE2-CG 3.3Å; W7-R31 HydrophobicContact CH2-CB 4.23Å; W7-R31 HydrophobicContact CZ2-CB 3.61Å; E9-R31 IonicContact OE1-CZ 3.81Å; E9-R31 IonicContact OE1-NH1 3.92Å; E9-R31 PolarHBondContact OE1-NH1 3.44Å; E9-R31 IonicContact OE1-NH2 2.66Å; E9-R31 PolarHBondContact OE1-NH2 2.87Å; E9-R31 IonicContact OE2-CZ 3.6Å; E9-R31 IonicContact OE2-NH1 2.84Å; E9-R31 PolarHBondContact OE2-NH1 2.82Å; E9-R31 IonicContact OE2-NH2 2.84Å; G27-R31 PolarHBondContact O-NE 3.46Å; G27-R31 VanDerWaalsContact O-NE 3.08Å; V28-R31 WeakPolarHBondContact O-CB 3.21Å; V28-R31 PolarHBondContact O-N 2.86Å; D29-R31 VanDerWaalsContact C-N 3.31Å; D29-R31 PolarHBondContact O-N 3.28Å; R31-S33 VanDerWaalsContact C-N 3.34Å; R31-S33 PolarHBondContact O-N 2.8Å; R31-S34 PolarHBondContact O-N 2.89Å; R31-C35 VanDerWaalsContact O-CB 3.32Å; R31-C35 WeakPolarHBondContact O-CB 3.42Å; R31-C35 PolarHBondContact O-N 2.79Å; R31-C35 PolarHBondContact O-SG 2.78Å; R31-C35 VanDerWaalsContact O-SG 3.36Å
32I90.4Very high88.9Confident1 Ų147.7 Ų47.71%0.00532%0.322CS..Hα-helixtrans-60.1-46174.2-66.8174.6000110.5W7 V28 D29 S34 C35 G36 G37 L38 V53 C56 L59W7-I32 HydrophobicContact CH2-CD1 4.39Å; W7-I32 HydrophobicContact CH2-CG1 3.68Å; W7-I32 HydrophobicContact CZ2-CG1 4.17Å; V28-I32 HydrophobicContact CG1-CD1 3.76Å; V28-I32 HydrophobicContact CG1-CG1 4.23Å; V28-I32 WeakPolarHBondContact O-CG1 3.34Å; V28-I32 PolarHBondContact O-N 2.66Å; D29-I32 PolarHBondContact O-N 2.61Å; I32-S34 VanDerWaalsContact C-N 3.33Å; I32-S34 PolarHBondContact O-N 2.92Å; I32-C35 PolarHBondContact O-N 3.49Å; I32-G36 PolarHBondContact O-N 2.82Å; I32-G37 PolarHBondContact O-N 3.4Å; I32-L38 HydrophobicContact CD1-CD2 3.98Å; I32-L38 HydrophobicContact CG1-CD2 4.26Å; I32-V53 HydrophobicContact CD1-CG1 4.36Å; I32-C56 HydrophobicContact CD1-CB 3.8Å; I32-L59 HydrophobicContact CD1-CB 4.4Å; I32-L59 HydrophobicContact CG2-CB 4.26Å; I32-L59 HydrophobicContact CG2-CD1 4.34Å
33S89.3Confident88.7Confident80 Ų8045 Ų4556%0.55931%0.305SS*.Hα-helixtrans-60.3-41.7177.6-173.30000112.1D29 K30 R31D29-S33 WeakPolarHBondContact O-CB 3.26Å; D29-S33 PolarHBondContact O-N 3.21Å; K30-S33 PolarHBondContact O-N 3.36Å; R31-S33 VanDerWaalsContact C-N 3.34Å; R31-S33 PolarHBondContact O-N 2.8Å
34S87.5Confident88.6Confident83 Ų8348.8 Ų48.858%0.5833%0.332SS*.Hα-helixtrans-74.5-34.4-179.2-56.40000113.1K30 R31 I32K30-S34 WeakPolarHBondContact O-CB 3.37Å; K30-S34 PolarHBondContact O-N 2.85Å; K30-S34 PolarHBondContact O-OG 2.84Å; R31-S34 PolarHBondContact O-N 2.89Å; I32-S34 VanDerWaalsContact C-N 3.33Å; I32-S34 PolarHBondContact O-N 2.92Å
35C82.3Confident88.6Confident69 Ų6944.6 Ų44.647%0.46631%0.313SS..Hα-helixtrans-90-7.2-179.9-63.60000113.9R31 I32 G37R31-C35 VanDerWaalsContact O-CB 3.32Å; R31-C35 WeakPolarHBondContact O-CB 3.42Å; R31-C35 PolarHBondContact O-N 2.79Å; R31-C35 PolarHBondContact O-SG 2.78Å; R31-C35 VanDerWaalsContact O-SG 3.36Å; I32-C35 PolarHBondContact O-N 3.49Å; C35-G37 VanDerWaalsContact C-N 3.3Å; C35-G37 PolarHBondContact O-N 3.38Å
36G80.9Confident89.1Confident69 Ų6949.1 Ų49.171%0.71133%0.328SS*.THydrogen-bonded Turntrans70.622.4-176.100000114.1I32I32-G36 PolarHBondContact O-N 2.82Å
37G86.3Confident89.4Confident19 Ų1950 Ų5020%0.19632%0.32CS..SBendtrans147.9-170.1-177.400000113.8I32 C35I32-G37 PolarHBondContact O-N 3.4Å; C35-G37 VanDerWaalsContact C-N 3.3Å; C35-G37 PolarHBondContact O-N 3.38Å
38L89.6Confident89.9Confident20 Ų2047.7 Ų47.711%0.10530%0.297CS..SBendtrans-76.8138.5171.7-66.8168.8000110W7 L23 I32 L42 Y43 V53 L59W7-L38 HydrophobicContact CH2-CD2 4.25Å; L23-L38 HydrophobicContact CD1-CD2 4.31Å; I32-L38 HydrophobicContact CD1-CD2 3.98Å; I32-L38 HydrophobicContact CG1-CD2 4.26Å; L38-L42 HydrophobicContact CB-CD2 3.98Å; L38-L42 HydrophobicContact CD1-CD2 3.79Å; L38-L42 HydrophobicContact CD2-CD2 4.18Å; L38-L42 HydrophobicContact CG-CD2 4.2Å; L38-Y43 WeakPolarHBondContact CB-OH 3.38Å; L38-V53 HydrophobicContact CD1-CG2 4.22Å; L38-V53 HydrophobicContact CD2-CG1 4.27Å; L38-V53 HydrophobicContact CD2-CG2 4.38Å; L38-L59 HydrophobicContact CD1-CD1 4.23Å; L38-L59 HydrophobicContact CD1-CD2 4.41Å; L38-L59 HydrophobicContact CG-CD1 4Å
39P89.9Confident90.2Very high23 Ų2349.4 Ų49.415%0.14931%0.306CS..  trans-71.4148.3-175.730.7-37.1000112.1W7 I10 S41 L42W7-P39 HydrophobicContact CD2-CG 3.92Å; W7-P39 HydrophobicContact CG-CG 4.06Å; W7-P39 HydrophobicContact CZ2-CG 4.25Å; I10-P39 HydrophobicContact CD1-CG 3.49Å; I10-P39 VanDerWaalsContact CD1-CG 3.49Å; P39-S41 PolarHBondContact O-N 3.02Å; P39-S41 VanDerWaalsContact O-N 3.1Å; P39-L42 VanDerWaalsContact O-CB 3.22Å; P39-L42 WeakPolarHBondContact O-CB 3.23Å; P39-L42 PolarHBondContact O-N 3.32Å
40S87.6Confident90.5Very high74 Ų7451.3 Ų51.352%0.51731%0.312SS..Hα-helixtrans-61.1-22.7179.5-61.90000114.4L42 Y43 E65S40-L42 PolarHBondContact O-N 3.35Å; S40-Y43 PolarHBondContact O-N 3.18Å; S40-Y43 VanDerWaalsContact O-N 3.13Å; S40-E65 WeakPolarHBondContact CB-OE2 3.37Å; S40-E65 PolarHBondContact OG-OE2 3.47Å
41S89.9Confident90.9Very high59 Ų5944.2 Ų44.241%0.41328%0.281SS..Hα-helixtrans-63.9-20.617354.30000113.7P39 S44P39-S41 PolarHBondContact O-N 3.02Å; P39-S41 VanDerWaalsContact O-N 3.1Å; S41-S44 PolarHBondContact O-OG 3.18Å
42L92.7Very high91.2Very high0 Ų044.2 Ų44.20%028%0.282CS..Hα-helixtrans-66-44.2171.3179.564.2000111I10 L21 L23 L38 P39 S40 S44 L45 L51I10-L42 HydrophobicContact CD1-CB 4.12Å; I10-L42 HydrophobicContact CD1-CD1 4.3Å; I10-L42 HydrophobicContact CG1-CD1 4.45Å; L21-L42 HydrophobicContact CD2-CD1 3.25Å; L23-L42 HydrophobicContact CD1-CD1 4.39Å; L38-L42 HydrophobicContact CB-CD2 3.98Å; L38-L42 HydrophobicContact CD1-CD2 3.79Å; L38-L42 HydrophobicContact CD2-CD2 4.18Å; L38-L42 HydrophobicContact CG-CD2 4.2Å; P39-L42 VanDerWaalsContact O-CB 3.22Å; P39-L42 WeakPolarHBondContact O-CB 3.23Å; P39-L42 PolarHBondContact O-N 3.32Å; S40-L42 PolarHBondContact O-N 3.35Å; L42-S44 PolarHBondContact O-N 2.87Å; L42-L45 HydrophobicContact CD1-CD1 4.43Å; L42-L45 WeakPolarHBondContact O-CB 3.38Å; L42-L45 WeakPolarHBondContact O-CG 3.28Å; L42-L45 PolarHBondContact O-N 2.98Å; L42-L51 HydrophobicContact CD1-CD1 4.12Å; L42-L51 HydrophobicContact CD2-CD2 4.34Å
43Y92Very high91.4Very high4 Ų444.1 Ų44.12%0.01628%0.282CS..Hα-helixtrans-75.8-11.8-173-51.8-60.5000113.1L38 S40 L45 H63 E65 I66 H68L38-Y43 WeakPolarHBondContact CB-OH 3.38Å; S40-Y43 PolarHBondContact O-N 3.18Å; S40-Y43 VanDerWaalsContact O-N 3.13Å; Y43-L45 VanDerWaalsContact C-N 3.29Å; Y43-H63 HydrophobicContact CE2-CB 3.79Å; Y43-H63 VanDerWaalsContact OH-CB 3.28Å; Y43-H63 WeakPolarHBondContact OH-CB 3.23Å; Y43-E65 HydrophobicContact CD1-CB 4.31Å; Y43-E65 HydrophobicContact CD2-CB 3.44Å; Y43-E65 VanDerWaalsContact CD2-CB 3.44Å; Y43-E65 HydrophobicContact CD2-CG 4.41Å; Y43-E65 VanDerWaalsContact CD2-OE2 3.28Å; Y43-E65 WeakPolarHBondContact CD2-OE2 3.33Å; Y43-E65 HydrophobicContact CE2-CB 4.11Å; Y43-E65 HydrophobicContact CG-CB 3.58Å; Y43-I66 HydrophobicContact CD1-CB 4.43Å; Y43-I66 HydrophobicContact CD1-CD1 4.17Å; Y43-I66 HydrophobicContact CE1-CB 4.25Å; Y43-I66 HydrophobicContact CE1-CD1 3.92Å; Y43-H68 WeakPolarHBondContact O-CB 3.41Å
44S91.6Very high91.6Very high81 Ų8140.5 Ų40.557%0.56626%0.256SS*.THydrogen-bonded Turntrans-80-8.3171.964.80000113.6S41 L42 Q46S41-S44 PolarHBondContact O-OG 3.18Å; L42-S44 PolarHBondContact O-N 2.87Å; S44-Q46 VanDerWaalsContact C-N 3.3Å; S44-Q46 PolarHBondContact O-N 3.4Å
45L93.2Very high91.7Very high18 Ų1841 Ų419%0.09425%0.25CC..  trans-79.766.9-179.7-59.7-177000113I10 A13 A14 L21 L42 Y43 L47 L48 L69I10-L45 HydrophobicContact CG2-CD1 4.04Å; A13-L45 HydrophobicContact CB-CD1 3.96Å; A14-L45 HydrophobicContact CB-CD2 3.63Å; L21-L45 HydrophobicContact CD2-CD1 3.99Å; L42-L45 HydrophobicContact CD1-CD1 4.43Å; L42-L45 WeakPolarHBondContact O-CB 3.38Å; L42-L45 WeakPolarHBondContact O-CG 3.28Å; L42-L45 PolarHBondContact O-N 2.98Å; Y43-L45 VanDerWaalsContact C-N 3.29Å; L45-L47 PolarHBondContact O-N 3.24Å; L45-L48 HydrophobicContact CB-CD1 3.64Å; L45-L48 HydrophobicContact CB-CG 3.85Å; L45-L48 HydrophobicContact CD1-CD1 3.89Å; L45-L48 HydrophobicContact CD1-CG 4.46Å; L45-L48 HydrophobicContact CG-CD1 4.42Å; L45-L48 PolarHBondContact O-N 2.81Å; L45-L48 VanDerWaalsContact O-N 3.16Å; L45-L69 WeakPolarHBondContact O-CD2 3.33Å
46Q91.8Very high92.2Very high117 Ų11737.7 Ų37.755%0.54723%0.227SC..THydrogen-bonded Turntrans-62.5-15-174.5-62.8-179.8-3.800115.2S44 L48 N71S44-Q46 VanDerWaalsContact C-N 3.3Å; S44-Q46 PolarHBondContact O-N 3.4Å; Q46-L48 VanDerWaalsContact C-N 3.34Å; Q46-N71 PolarHBondContact O-ND2 2.93Å
47L93.9Very high92.7Very high67 Ų6736.9 Ų36.935%0.35121%0.21SC..THydrogen-bonded Turntrans-84.9-4.7179.6-62.4178.3000113.8Q17 L45 N49Q17-L47 HydrophobicContact CB-CD1 3.84Å; Q17-L47 HydrophobicContact CG-CD1 4.08Å; L45-L47 PolarHBondContact O-N 3.24Å; L47-N49 PolarHBondContact O-N 3.44Å
48L96.1Very high92.9Very high1 Ų137.8 Ų37.81%0.00521%0.213CC..  trans-68.2128.5-179.6-74.1176.8000111.9L21 L45 Q46 N71 L72L21-L48 HydrophobicContact CB-CD1 4.18Å; L21-L48 HydrophobicContact CB-CD2 3.8Å; L21-L48 HydrophobicContact CD2-CD1 4.24Å; L45-L48 HydrophobicContact CB-CD1 3.64Å; L45-L48 HydrophobicContact CB-CG 3.85Å; L45-L48 HydrophobicContact CD1-CD1 3.89Å; L45-L48 HydrophobicContact CD1-CG 4.46Å; L45-L48 HydrophobicContact CG-CD1 4.42Å; L45-L48 PolarHBondContact O-N 2.81Å; L45-L48 VanDerWaalsContact O-N 3.16Å; Q46-L48 VanDerWaalsContact C-N 3.34Å; L48-N71 CarbonylContact O-C 3.18Å; L48-L72 HydrophobicContact CB-CD1 4.22Å; L48-L72 WeakPolarHBondContact O-CA 3.33Å; L48-L72 PolarHBondContact O-N 3.5Å
49N97.3Very high93.1Very high41 Ų4136.9 Ų36.922%0.21921%0.208CC..SBendtrans-101.7-27.8169.8-66.3-9.6000111.3R19 L47 N71 Q73 S74R19-N49 HydrophobicContact CB-CB 4.39Å; R19-N49 PolarHBondContact O-N 3.04Å; L47-N49 PolarHBondContact O-N 3.44Å; N49-N71 PolarHBondContact OD1-O 3.32Å; N49-Q73 HydrophobicContact CB-CG 4.4Å; N49-Q73 WeakPolarHBondContact O-CA 3.5Å; N49-Q73 PolarHBondContact O-N 3.31Å; N49-S74 PolarHBondContact O-N 3.29Å
50Y97.9Very high93.2Very high65 Ų6539.5 Ų39.526%0.25522%0.224SC..EExtended strand (participates in β ladder)trans-131.4125.5-177.6-177.7-86.5000110.5R19 E20 L21 V22 E52 S74 V76R19-Y50 PolarHBondContact O-N 3.25Å; E20-Y50 WeakPolarHBondContact CA-O 3.23Å; E20-Y50 HydrophobicContact CB-CD1 4.38Å; L21-Y50 PolarHBondContact N-O 3.02Å; V22-Y50 HydrophobicContact CG2-CD1 4.5Å; V22-Y50 HydrophobicContact CG2-CE1 3.94Å; Y50-E52 HydrophobicContact CE1-CB 3.59Å; Y50-E52 PolarHBondContact OH-OE2 2.97Å; Y50-S74 WeakPolarHBondContact CA-O 3.36Å; Y50-V76 HydrophobicContact CE2-CG2 4.22Å
51L97.4Very high93.4Very high1 Ų141.5 Ų41.51%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-129.4118.2173.2176.560.8000109L21 L42 V53 I66 L69 L72 S74 L75 V76L21-L51 HydrophobicContact CB-CD1 4.25Å; L21-L51 HydrophobicContact CD2-CD1 4.23Å; L21-L51 HydrophobicContact CG-CD1 4.29Å; L21-L51 WeakPolarHBondContact O-CA 3.34Å; L42-L51 HydrophobicContact CD1-CD1 4.12Å; L42-L51 HydrophobicContact CD2-CD2 4.34Å; L51-V53 HydrophobicContact CD1-CG2 4.08Å; L51-V53 HydrophobicContact CG-CG2 4.32Å; L51-I66 HydrophobicContact CD2-CD1 4.16Å; L51-L69 HydrophobicContact CD2-CD1 3.98Å; L51-L72 HydrophobicContact CB-CD1 3.78Å; L51-L72 HydrophobicContact CB-CD2 4.36Å; L51-S74 PolarHBondContact N-O 2.98Å; L51-L75 HydrophobicContact CB-CD1 4.19Å; L51-L75 HydrophobicContact CD2-CD1 3.97Å; L51-L75 HydrophobicContact CG-CD1 4.16Å; L51-V76 PolarHBondContact O-N 2.71Å
52E97.1Very high93.4Very high36 Ų3639.2 Ų39.217%0.16821%0.208CC..EExtended strand (participates in β ladder)trans-113.2126.6168.9-179.2-179.8170.900110.1L21 V22 L23 Y50 S54 V76L21-E52 PolarHBondContact O-N 3.3Å; V22-E52 CarbonylContact C-O 3.36Å; V22-E52 WeakPolarHBondContact CA-O 3.41Å; V22-E52 HydrophobicContact CG1-CB 4.25Å; V22-E52 HydrophobicContact CG1-CG 4.36Å; V22-E52 HydrophobicContact CG2-CB 4.27Å; L23-E52 PolarHBondContact N-O 2.97Å; Y50-E52 HydrophobicContact CE1-CB 3.59Å; Y50-E52 PolarHBondContact OH-OE2 2.97Å; E52-S54 WeakPolarHBondContact OE1-CB 3.37Å; E52-S54 PolarHBondContact OE1-OG 3.14Å; E52-V76 CarbonylContact C-O 3.3Å; E52-V76 VanDerWaalsContact CA-O 3.26Å; E52-V76 WeakPolarHBondContact CA-O 3.32Å; E52-V76 HydrophobicContact CB-CB 4.14Å; E52-V76 HydrophobicContact CG-CB 4.05Å; E52-V76 HydrophobicContact CG-CG1 3.94Å
53V95.1Very high93.4Very high0 Ų043 Ų430%023%0.226CC..EExtended strand (participates in β ladder)trans-127.2105.3165.4-170.20000107.9L23 I32 L38 L51 L59 V76 L77 N80L23-V53 HydrophobicContact CB-CG1 4.31Å; L23-V53 HydrophobicContact CB-CG2 4.25Å; L23-V53 HydrophobicContact CD1-CG2 4.17Å; L23-V53 VanDerWaalsContact O-CA 3.28Å; L23-V53 WeakPolarHBondContact O-CA 3.42Å; I32-V53 HydrophobicContact CD1-CG1 4.36Å; L38-V53 HydrophobicContact CD1-CG2 4.22Å; L38-V53 HydrophobicContact CD2-CG1 4.27Å; L38-V53 HydrophobicContact CD2-CG2 4.38Å; L51-V53 HydrophobicContact CD1-CG2 4.08Å; L51-V53 HydrophobicContact CG-CG2 4.32Å; V53-L59 HydrophobicContact CB-CD2 4.45Å; V53-L59 HydrophobicContact CG1-CD2 3.95Å; V53-V76 PolarHBondContact N-O 3.5Å; V53-L77 HydrophobicContact CB-CD2 3.66Å; V53-L77 HydrophobicContact CG2-CD2 3.89Å; V53-L77 WeakPolarHBondContact O-CA 3.39Å; V53-N80 PolarHBondContact O-ND2 3.07Å
54S94.1Very high93.4Very high3 Ų346.3 Ų46.32%0.02125%0.246CC..EExtended strand (participates in β ladder)trans-131.7154.2-172.567.20000113L23 Q24 E52 C56 C78L23-S54 PolarHBondContact O-N 3.38Å; Q24-S54 WeakPolarHBondContact CA-O 3.5Å; E52-S54 WeakPolarHBondContact OE1-CB 3.37Å; E52-S54 PolarHBondContact OE1-OG 3.14Å; S54-C56 VanDerWaalsContact C-N 3.29Å; S54-C56 PolarHBondContact O-N 2.83Å; S54-C56 PolarHBondContact O-SG 3.3Å; S54-C56 VanDerWaalsContact O-SG 3.37Å; S54-C78 VanDerWaalsContact CA-O 3.24Å; S54-C78 WeakPolarHBondContact CA-O 3.42Å; S54-C78 WeakPolarHBondContact CB-O 3.31Å
55Q89.8Confident93.4Very high93 Ų9345 Ų4544%0.43523%0.231SC..SBendtrans60.633.9178-48.7177.622.200114P57 C78 R79 N80Q55-P57 WeakPolarHBondContact O-CD 3.39Å; Q55-C78 PolarHBondContact N-O 2.89Å; Q55-R79 VanDerWaalsContact CA-O 3.3Å; Q55-R79 WeakPolarHBondContact CA-O 3.5Å; Q55-R79 HydrophobicContact CG-CB 4.39Å; Q55-R79 PolarHBondContact N-O 3.28Å; Q55-N80 PolarHBondContact N-OD1 3.36Å
56C92.6Very high93.5Very high0 Ų044.3 Ų44.30%023%0.227CC..  trans-115.384.8179.6-64.90000110D29 I32 S54 S58 L59 N80D29-C56 HydrophobicContact CB-CB 4.43Å; D29-C56 VanDerWaalsContact OD1-C 3.26Å; D29-C56 WeakPolarHBondContact OD1-CA 3.46Å; I32-C56 HydrophobicContact CD1-CB 3.8Å; S54-C56 VanDerWaalsContact C-N 3.29Å; S54-C56 PolarHBondContact O-N 2.83Å; S54-C56 PolarHBondContact O-SG 3.3Å; S54-C56 VanDerWaalsContact O-SG 3.37Å; C56-S58 PolarHBondContact O-N 2.69Å; C56-S58 VanDerWaalsContact O-N 3.12Å; C56-L59 HydrophobicContact CB-CB 4.36Å; C56-L59 WeakPolarHBondContact O-CB 3.43Å; C56-L59 PolarHBondContact O-N 3.08Å; C56-N80 WeakPolarHBondContact CA-OD1 3.48Å; C56-N80 WeakPolarHBondContact CB-OD1 3.33Å; C56-N80 PolarHBondContact N-OD1 3.2Å; C56-N80 PolarHBondContact O-OD1 3.11Å
57P90.1Very high93.5Very high53 Ų5341.7 Ų41.734%0.34422%0.215SC..THydrogen-bonded Turntrans-63.2-15.2-177.726.2-36.5000114.8D29 Q55 L59 K81D29-P57 VanDerWaalsContact CG-CD 3.48Å; D29-P57 WeakPolarHBondContact OD1-CD 3.47Å; D29-P57 VanDerWaalsContact OD1-N 3.13Å; Q55-P57 WeakPolarHBondContact O-CD 3.39Å; P57-L59 VanDerWaalsContact C-N 3.31Å; P57-K81 HydrophobicContact CB-CD 4.22Å; P57-K81 HydrophobicContact CB-CG 4.28Å; P57-K81 VanDerWaalsContact O-CD 3.25Å; P57-K81 WeakPolarHBondContact O-CD 3.36Å; P57-K81 WeakPolarHBondContact O-CG 3.36Å
58S92.2Very high93.5Very high37 Ų3742.3 Ų42.326%0.25922%0.216SC..THydrogen-bonded Turntrans-80.1-12.7175.4-54.90000113D29 C56 T60D29-S58 VanDerWaalsContact CG-OG 3.31Å; D29-S58 WeakPolarHBondContact OD1-CA 3.28Å; D29-S58 WeakPolarHBondContact OD1-CB 3.41Å; D29-S58 PolarHBondContact OD1-N 3.19Å; D29-S58 PolarHBondContact OD1-OG 3.29Å; D29-S58 PolarHBondContact OD2-OG 3.26Å; C56-S58 PolarHBondContact O-N 2.69Å; C56-S58 VanDerWaalsContact O-N 3.12Å; S58-T60 PolarHBondContact O-N 3.23Å
59L93.1Very high93.5Very high2 Ų242.2 Ų42.21%0.0122%0.216CC..  trans-81.6105175.9-17366.9000110.3I32 L38 V53 C56 P57 E61 N80 K81 L82I32-L59 HydrophobicContact CD1-CB 4.4Å; I32-L59 HydrophobicContact CG2-CB 4.26Å; I32-L59 HydrophobicContact CG2-CD1 4.34Å; L38-L59 HydrophobicContact CD1-CD1 4.23Å; L38-L59 HydrophobicContact CD1-CD2 4.41Å; L38-L59 HydrophobicContact CG-CD1 4Å; V53-L59 HydrophobicContact CB-CD2 4.45Å; V53-L59 HydrophobicContact CG1-CD2 3.95Å; C56-L59 HydrophobicContact CB-CB 4.36Å; C56-L59 WeakPolarHBondContact O-CB 3.43Å; C56-L59 PolarHBondContact O-N 3.08Å; P57-L59 VanDerWaalsContact C-N 3.31Å; L59-E61 WeakPolarHBondContact CD1-O 3.33Å; L59-N80 HydrophobicContact CB-CB 4.33Å; L59-K81 CarbonylContact O-C 3.41Å; L59-K81 PolarHBondContact O-N 3.18Å; L59-K81 VanDerWaalsContact O-N 3.16Å; L59-L82 HydrophobicContact CD2-CD2 4.23Å; L59-L82 HydrophobicContact CG-CD2 3.87Å; L59-L82 PolarHBondContact O-N 2.95Å
60T91.8Very high93.3Very high77 Ų7743.4 Ų43.447%0.47222%0.224SC..  trans-105.3-21.1-176.653.90000114.3S58 L82 A83S58-T60 PolarHBondContact O-N 3.23Å; T60-L82 CarbonylContact O-C 3.14Å; T60-L82 WeakPolarHBondContact O-CA 3.38Å; T60-A83 PolarHBondContact O-N 3.25Å
61E91.1Very high93.2Very high116 Ų11643.6 Ų43.654%0.54223%0.23SC..  trans-146.5159179.761.5179.8-156.300111.4L59L59-E61 WeakPolarHBondContact CD1-O 3.33Å
62I90.4Very high93.2Very high12 Ų1243.6 Ų43.66%0.06223%0.23CC..  trans-103.7127.5172.8-55.8163.6000107.3I66 L77 L82 V85 P86I62-I66 HydrophobicContact CG2-CB 3.99Å; I62-I66 HydrophobicContact CG2-CD1 4.48Å; I62-I66 HydrophobicContact CG2-CG1 4.23Å; I62-I66 HydrophobicContact CG2-CG2 4.04Å; I62-L77 HydrophobicContact CD1-CD1 3.25Å; I62-L77 HydrophobicContact CG1-CD1 3.73Å; I62-L82 HydrophobicContact CD1-CD1 4.07Å; I62-L82 HydrophobicContact CG1-CD1 4.14Å; I62-L82 HydrophobicContact CG1-CD2 3.91Å; I62-V85 HydrophobicContact CD1-CB 4.4Å; I62-V85 HydrophobicContact CD1-CG1 4.1Å; I62-V85 HydrophobicContact CD1-CG2 4.02Å; I62-P86 HydrophobicContact CB-CG 4.32Å; I62-P86 HydrophobicContact CG2-CG 4.42Å
63H92Very high93.2Very high80 Ų8044.9 Ų44.937%0.3724%0.236SC..  trans-69.7147178.8-163-110.7000111.4Y43 E65 I66Y43-H63 HydrophobicContact CE2-CB 3.79Å; Y43-H63 VanDerWaalsContact OH-CB 3.28Å; Y43-H63 WeakPolarHBondContact OH-CB 3.23Å; H63-E65 IonicContact CE1-OE2 3.46Å; H63-E65 PolarHBondContact CE1-OE2 3.21Å; H63-E65 WeakPolarHBondContact ND1-CB 3.24Å; H63-E65 VanDerWaalsContact ND1-CG 3.31Å; H63-E65 WeakPolarHBondContact ND1-CG 3.22Å; H63-E65 IonicContact ND1-OE2 3.18Å; H63-E65 PolarHBondContact ND1-OE2 3.22Å; H63-E65 PolarHBondContact O-N 3.2Å; H63-E65 VanDerWaalsContact O-N 3.11Å; H63-I66 WeakPolarHBondContact O-CG2 3.35Å; H63-I66 PolarHBondContact O-N 3.27Å; H63-I66 VanDerWaalsContact O-N 3.14Å
64V92.1Very high93.3Very high73 Ų7346.1 Ų46.144%0.44225%0.245SC..G310 helixtrans-61.9-21.8-177.6-630000113.6I66 Q67 P86 V88V64-I66 PolarHBondContact O-N 3.45Å; V64-I66 VanDerWaalsContact O-N 3.09Å; V64-Q67 WeakPolarHBondContact O-CG 3.31Å; V64-Q67 PolarHBondContact O-N 3.22Å; V64-P86 HydrophobicContact CG1-CB 4.26Å; V64-V88 HydrophobicContact CB-CG2 4.26Å; V64-V88 WeakPolarHBondContact O-CG2 3.31Å
65E93.3Very high93.5Very high54 Ų5446 Ų4625%0.25224%0.244SC..G310 helixtrans-64.2-10.9176.8-72.3178.4147.800113.8S40 Y43 H63 Q67 H68S40-E65 WeakPolarHBondContact CB-OE2 3.37Å; S40-E65 PolarHBondContact OG-OE2 3.47Å; Y43-E65 HydrophobicContact CD1-CB 4.31Å; Y43-E65 HydrophobicContact CD2-CB 3.44Å; Y43-E65 VanDerWaalsContact CD2-CB 3.44Å; Y43-E65 HydrophobicContact CD2-CG 4.41Å; Y43-E65 VanDerWaalsContact CD2-OE2 3.28Å; Y43-E65 WeakPolarHBondContact CD2-OE2 3.33Å; Y43-E65 HydrophobicContact CE2-CB 4.11Å; Y43-E65 HydrophobicContact CG-CB 3.58Å; H63-E65 IonicContact CE1-OE2 3.46Å; H63-E65 PolarHBondContact CE1-OE2 3.21Å; H63-E65 WeakPolarHBondContact ND1-CB 3.24Å; H63-E65 VanDerWaalsContact ND1-CG 3.31Å; H63-E65 WeakPolarHBondContact ND1-CG 3.22Å; H63-E65 IonicContact ND1-OE2 3.18Å; H63-E65 PolarHBondContact ND1-OE2 3.22Å; H63-E65 PolarHBondContact O-N 3.2Å; H63-E65 VanDerWaalsContact O-N 3.11Å; E65-Q67 PolarHBondContact O-N 3.26Å; E65-H68 WeakPolarHBondContact O-CB 3.36Å; E65-H68 PolarHBondContact O-N 3.09Å; E65-H68 PolarHBondContact O-ND1 3.08Å
66I93.8Very high93.9Very high3 Ų342.4 Ų42.42%0.01523%0.228CC..G310 helixtrans-52.2-26.9171.2-162.873.9000112.3Y43 L51 I62 H63 V64 H68 L69 P86 V88 L92Y43-I66 HydrophobicContact CD1-CB 4.43Å; Y43-I66 HydrophobicContact CD1-CD1 4.17Å; Y43-I66 HydrophobicContact CE1-CB 4.25Å; Y43-I66 HydrophobicContact CE1-CD1 3.92Å; L51-I66 HydrophobicContact CD2-CD1 4.16Å; I62-I66 HydrophobicContact CG2-CB 3.99Å; I62-I66 HydrophobicContact CG2-CD1 4.48Å; I62-I66 HydrophobicContact CG2-CG1 4.23Å; I62-I66 HydrophobicContact CG2-CG2 4.04Å; H63-I66 WeakPolarHBondContact O-CG2 3.35Å; H63-I66 PolarHBondContact O-N 3.27Å; H63-I66 VanDerWaalsContact O-N 3.14Å; V64-I66 PolarHBondContact O-N 3.45Å; V64-I66 VanDerWaalsContact O-N 3.09Å; I66-H68 PolarHBondContact O-N 3.23Å; I66-H68 VanDerWaalsContact O-N 3.09Å; I66-L69 HydrophobicContact CD1-CD1 3.72Å; I66-L69 PolarHBondContact O-N 2.8Å; I66-L69 VanDerWaalsContact O-N 3.09Å; I66-P86 HydrophobicContact CG2-CG 4.45Å; I66-V88 HydrophobicContact CG2-CG2 4.04Å; I66-L92 HydrophobicContact CG1-CD1 4.35Å
67Q92.8Very high94.1Very high61 Ų6142.6 Ų42.629%0.28523%0.229SC..G310 helixtrans-55.3-24.4175.371.3-177.1500114.4V64 E65 L69 V88 I91V64-Q67 WeakPolarHBondContact O-CG 3.31Å; V64-Q67 PolarHBondContact O-N 3.22Å; E65-Q67 PolarHBondContact O-N 3.26Å; Q67-L69 VanDerWaalsContact C-N 3.28Å; Q67-L69 PolarHBondContact O-N 2.88Å; Q67-V88 HydrophobicContact CB-CB 4.24Å; Q67-V88 HydrophobicContact CB-CG2 4.36Å; Q67-I91 HydrophobicContact CB-CB 4.4Å; Q67-I91 HydrophobicContact CB-CD1 3.93Å; Q67-I91 HydrophobicContact CB-CG2 4.45Å
68H94.4Very high94.2Very high80 Ų8041.1 Ų41.137%0.3722%0.22SC..G310 helixtrans-74.4-17.9-179.4-61144.7000112.9Y43 E65 I66 T70Y43-H68 WeakPolarHBondContact O-CB 3.41Å; E65-H68 WeakPolarHBondContact O-CB 3.36Å; E65-H68 PolarHBondContact O-N 3.09Å; E65-H68 PolarHBondContact O-ND1 3.08Å; I66-H68 PolarHBondContact O-N 3.23Å; I66-H68 VanDerWaalsContact O-N 3.09Å; H68-T70 PolarHBondContact O-N 3.27Å
69L94.8Very high94.3Very high0 Ų046.6 Ų46.60%024%0.235CC..  trans-81.855.3178.8-56.6-176.2000111.6L45 L51 I66 Q67 N71 L72 L92L45-L69 WeakPolarHBondContact O-CD2 3.33Å; L51-L69 HydrophobicContact CD2-CD1 3.98Å; I66-L69 HydrophobicContact CD1-CD1 3.72Å; I66-L69 PolarHBondContact O-N 2.8Å; I66-L69 VanDerWaalsContact O-N 3.09Å; Q67-L69 VanDerWaalsContact C-N 3.28Å; Q67-L69 PolarHBondContact O-N 2.88Å; L69-N71 PolarHBondContact O-N 2.52Å; L69-N71 VanDerWaalsContact O-N 3.11Å; L69-L72 HydrophobicContact CB-CB 4.25Å; L69-L72 WeakPolarHBondContact O-CB 3.48Å; L69-L72 PolarHBondContact O-N 3.33Å; L69-L92 WeakPolarHBondContact O-CD2 3.46Å
70T93.3Very high94.3Very high65 Ų6546.9 Ų46.940%0.39924%0.236SC..THydrogen-bonded Turntrans-63-21.7-169.655.30000115H68 L72 S94H68-T70 PolarHBondContact O-N 3.27Å; T70-L72 VanDerWaalsContact C-N 3.34Å; T70-S94 PolarHBondContact O-OG 2.87Å
71N95.1Very high94.4Very high70 Ų7048.4 Ų48.437%0.37424%0.236SC..THydrogen-bonded Turntrans-86.1-3.6177-68.6-46000113.9Q46 L48 N49 L69 Q73Q46-N71 PolarHBondContact O-ND2 2.93Å; L48-N71 CarbonylContact O-C 3.18Å; N49-N71 PolarHBondContact OD1-O 3.32Å; L69-N71 PolarHBondContact O-N 2.52Å; L69-N71 VanDerWaalsContact O-N 3.11Å; N71-Q73 WeakPolarHBondContact O-CG 3.42Å; N71-Q73 PolarHBondContact O-N 3.42Å
72L97.4Very high94.7Very high0 Ų042.9 Ų42.90%021%0.21CC..  trans-63.1124.9-174.5-160.272.8000110.8L48 L51 L69 T70 L75 L92 S94 L95L48-L72 HydrophobicContact CB-CD1 4.22Å; L48-L72 WeakPolarHBondContact O-CA 3.33Å; L48-L72 PolarHBondContact O-N 3.5Å; L51-L72 HydrophobicContact CB-CD1 3.78Å; L51-L72 HydrophobicContact CB-CD2 4.36Å; L69-L72 HydrophobicContact CB-CB 4.25Å; L69-L72 WeakPolarHBondContact O-CB 3.48Å; L69-L72 PolarHBondContact O-N 3.33Å; T70-L72 VanDerWaalsContact C-N 3.34Å; L72-L75 HydrophobicContact CD2-CB 3.8Å; L72-L75 HydrophobicContact CD2-CD1 3.98Å; L72-L75 HydrophobicContact CD2-CD2 4.47Å; L72-L75 HydrophobicContact CD2-CG 4.29Å; L72-L92 HydrophobicContact CD2-CD1 4.27Å; L72-S94 CarbonylContact O-C 3.56Å; L72-S94 VanDerWaalsContact O-C 3.3Å; L72-L95 HydrophobicContact CB-CD1 4.36Å; L72-L95 HydrophobicContact CD2-CD1 4.14Å; L72-L95 HydrophobicContact CG-CD1 4.11Å; L72-L95 WeakPolarHBondContact O-CA 3.48Å; L72-L95 PolarHBondContact O-N 3Å
73Q97.9Very high94.9Very high64 Ų6445 Ų4530%0.29923%0.23SC..  trans-105.8-25.7179.3-58-172.328.300111.9N49 N71 K96 V97N49-Q73 HydrophobicContact CB-CG 4.4Å; N49-Q73 WeakPolarHBondContact O-CA 3.5Å; N49-Q73 PolarHBondContact O-N 3.31Å; N71-Q73 WeakPolarHBondContact O-CG 3.42Å; N71-Q73 PolarHBondContact O-N 3.42Å; Q73-K96 WeakPolarHBondContact O-CA 3.06Å; Q73-K96 PolarHBondContact O-N 3.23Å; Q73-V97 PolarHBondContact O-N 3.32Å
74S98.3Very high95Very high26 Ų2644 Ų4418%0.18223%0.232CC..EExtended strand (participates in β ladder)trans-140.1121179.9-64.50000110.3N49 Y50 L51 V97N49-S74 PolarHBondContact O-N 3.29Å; Y50-S74 WeakPolarHBondContact CA-O 3.36Å; L51-S74 PolarHBondContact N-O 2.98Å; S74-V97 WeakPolarHBondContact CA-O 3.43Å
75L97.9Very high95.1Very high0 Ų041.1 Ų41.10%021%0.214CC..EExtended strand (participates in β ladder)trans-118.4114.5175.3-179.959.5000108.6L51 L72 L77 I89 L95 V97 L98 D99L51-L75 HydrophobicContact CB-CD1 4.19Å; L51-L75 HydrophobicContact CD2-CD1 3.97Å; L51-L75 HydrophobicContact CG-CD1 4.16Å; L72-L75 HydrophobicContact CD2-CB 3.8Å; L72-L75 HydrophobicContact CD2-CD1 3.98Å; L72-L75 HydrophobicContact CD2-CD2 4.47Å; L72-L75 HydrophobicContact CD2-CG 4.29Å; L75-L77 HydrophobicContact CD1-CD1 4.02Å; L75-L77 HydrophobicContact CD1-CD2 3.98Å; L75-L77 HydrophobicContact CD1-CG 3.84Å; L75-L77 HydrophobicContact CD2-CD1 4.11Å; L75-L77 HydrophobicContact CG-CD1 4.07Å; L75-L77 HydrophobicContact CG-CG 4.03Å; L75-I89 HydrophobicContact CD2-CD1 3.7Å; L75-L95 HydrophobicContact CB-CD1 3.87Å; L75-L95 HydrophobicContact CB-CD2 4.45Å; L75-V97 PolarHBondContact N-O 3.46Å; L75-L98 HydrophobicContact CB-CD1 4.02Å; L75-L98 HydrophobicContact CD2-CD1 3.89Å; L75-L98 HydrophobicContact CG-CD1 4.08Å; L75-L98 WeakPolarHBondContact O-CA 2.99Å; L75-D99 PolarHBondContact O-N 3.3Å
76V97.8Very high95.2Very high18 Ų1839.6 Ų39.611%0.10921%0.209CC..EExtended strand (participates in β ladder)trans-118.8107.7-178.6-179.50000108.5Y50 L51 E52 V53 C78 D99Y50-V76 HydrophobicContact CE2-CG2 4.22Å; L51-V76 PolarHBondContact O-N 2.71Å; E52-V76 CarbonylContact C-O 3.3Å; E52-V76 VanDerWaalsContact CA-O 3.26Å; E52-V76 WeakPolarHBondContact CA-O 3.32Å; E52-V76 HydrophobicContact CB-CB 4.14Å; E52-V76 HydrophobicContact CG-CB 4.05Å; E52-V76 HydrophobicContact CG-CG1 3.94Å; V53-V76 PolarHBondContact N-O 3.5Å; V76-C78 HydrophobicContact CG1-CB 4.41Å; V76-D99 HydrophobicContact CB-CB 4.45Å; V76-D99 HydrophobicContact CG1-CB 4.17Å; V76-D99 HydrophobicContact CG2-CB 4.27Å
77L95.9Very high95.2Very high4 Ų444.2 Ų44.22%0.02123%0.234CC..  trans-121.849.3179.3-56.1173.3000110.5V53 I62 L75 N80 L82 D99 L100 N103V53-L77 HydrophobicContact CB-CD2 3.66Å; V53-L77 HydrophobicContact CG2-CD2 3.89Å; V53-L77 WeakPolarHBondContact O-CA 3.39Å; I62-L77 HydrophobicContact CD1-CD1 3.25Å; I62-L77 HydrophobicContact CG1-CD1 3.73Å; L75-L77 HydrophobicContact CD1-CD1 4.02Å; L75-L77 HydrophobicContact CD1-CD2 3.98Å; L75-L77 HydrophobicContact CD1-CG 3.84Å; L75-L77 HydrophobicContact CD2-CD1 4.11Å; L75-L77 HydrophobicContact CG-CD1 4.07Å; L75-L77 HydrophobicContact CG-CG 4.03Å; L77-N80 VanDerWaalsContact C-ND2 3.3Å; L77-N80 PolarHBondContact O-ND2 3.21Å; L77-L82 HydrophobicContact CB-CD1 3.83Å; L77-L82 HydrophobicContact CD1-CD1 4.04Å; L77-D99 PolarHBondContact N-O 2.95Å; L77-L100 HydrophobicContact CB-CD2 3.92Å; L77-L100 HydrophobicContact CD1-CD2 3.97Å; L77-L100 HydrophobicContact CG-CD2 4.34Å; L77-N103 PolarHBondContact O-ND2 3.34Å
78C94Very high95.3Very high22 Ų2243 Ų4315%0.14923%0.23CC..  trans-86.7152-173.569.60000113.2S54 Q55 V76 N80 S101S54-C78 VanDerWaalsContact CA-O 3.24Å; S54-C78 WeakPolarHBondContact CA-O 3.42Å; S54-C78 WeakPolarHBondContact CB-O 3.31Å; Q55-C78 PolarHBondContact N-O 2.89Å; V76-C78 HydrophobicContact CG1-CB 4.41Å; C78-N80 PolarHBondContact O-N 3.43Å; C78-S101 CarbonylContact C-O 3.59Å; C78-S101 WeakPolarHBondContact CA-O 3.47Å; C78-S101 WeakPolarHBondContact CB-O 3.31Å; C78-S101 WeakPolarHBondContact CB-OG 3.47Å
79R92.8Very high95.3Very high151 Ų15139.1 Ų39.157%0.5721%0.213SC*.SBendtrans58.543.2178.7-57-179.4173.2-175.2-1.5113.7Q55 S101 V102Q55-R79 VanDerWaalsContact CA-O 3.3Å; Q55-R79 WeakPolarHBondContact CA-O 3.5Å; Q55-R79 HydrophobicContact CG-CB 4.39Å; Q55-R79 PolarHBondContact N-O 3.28Å; R79-S101 PolarHBondContact N-O 2.96Å; R79-V102 CarbonylContact C-O 3.48Å; R79-V102 WeakPolarHBondContact CA-O 3.34Å; R79-V102 HydrophobicContact CB-CB 4.43Å; R79-V102 HydrophobicContact CB-CG1 4.45Å; R79-V102 HydrophobicContact CG-CB 3.9Å; R79-V102 HydrophobicContact CG-CG1 4.07Å; R79-V102 HydrophobicContact CG-CG2 4.18Å; R79-V102 PolarHBondContact N-O 2.88Å
80N93.9Very high95.2Very high9 Ų939.2 Ų39.25%0.04821%0.213CC..SBendtrans-114.1-163.2171.4-55.9-51.7000109.7V53 Q55 C56 L59 L77 C78 L82 V102 N103V53-N80 PolarHBondContact O-ND2 3.07Å; Q55-N80 PolarHBondContact N-OD1 3.36Å; C56-N80 WeakPolarHBondContact CA-OD1 3.48Å; C56-N80 WeakPolarHBondContact CB-OD1 3.33Å; C56-N80 PolarHBondContact N-OD1 3.2Å; C56-N80 PolarHBondContact O-OD1 3.11Å; L59-N80 HydrophobicContact CB-CB 4.33Å; L77-N80 VanDerWaalsContact C-ND2 3.3Å; L77-N80 PolarHBondContact O-ND2 3.21Å; C78-N80 PolarHBondContact O-N 3.43Å; N80-L82 HydrophobicContact CB-CG 4.34Å; N80-V102 PolarHBondContact N-O 2.92Å; N80-N103 WeakPolarHBondContact CA-OD1 3.35Å; N80-N103 VanDerWaalsContact CB-OD1 3.27Å; N80-N103 WeakPolarHBondContact CB-OD1 3.02Å; N80-N103 PolarHBondContact N-OD1 3.24Å; N80-N103 PolarHBondContact O-OD1 2.98Å
81K94.6Very high95.3Very high108 Ų10839.8 Ų39.847%0.4721%0.213SC..  trans-120.536175.3-67-170.2-171.7167.10111.9P57 L59 A83 N103P57-K81 HydrophobicContact CB-CD 4.22Å; P57-K81 HydrophobicContact CB-CG 4.28Å; P57-K81 VanDerWaalsContact O-CD 3.25Å; P57-K81 WeakPolarHBondContact O-CD 3.36Å; P57-K81 WeakPolarHBondContact O-CG 3.36Å; L59-K81 CarbonylContact O-C 3.41Å; L59-K81 PolarHBondContact O-N 3.18Å; L59-K81 VanDerWaalsContact O-N 3.16Å; K81-A83 PolarHBondContact O-N 3.34Å; K81-N103 PolarHBondContact N-OD1 2.94Å
82L95.9Very high95.3Very high0 Ų036.5 Ų36.50%020%0.195CC..  trans-59.2126-179-65.7174.3000110.7L59 T60 I62 L77 N80 L100 N103 N104 L105L59-L82 HydrophobicContact CD2-CD2 4.23Å; L59-L82 HydrophobicContact CG-CD2 3.87Å; L59-L82 PolarHBondContact O-N 2.95Å; T60-L82 CarbonylContact O-C 3.14Å; T60-L82 WeakPolarHBondContact O-CA 3.38Å; I62-L82 HydrophobicContact CD1-CD1 4.07Å; I62-L82 HydrophobicContact CG1-CD1 4.14Å; I62-L82 HydrophobicContact CG1-CD2 3.91Å; L77-L82 HydrophobicContact CB-CD1 3.83Å; L77-L82 HydrophobicContact CD1-CD1 4.04Å; N80-L82 HydrophobicContact CB-CG 4.34Å; L82-L100 HydrophobicContact CD1-CD2 4.43Å; L82-N103 HydrophobicContact CB-CB 4.12Å; L82-N103 WeakPolarHBondContact CB-OD1 3.28Å; L82-N103 WeakPolarHBondContact CG-OD1 3.14Å; L82-N103 PolarHBondContact N-OD1 3.23Å; L82-N104 CarbonylContact O-C 3.58Å; L82-N104 WeakPolarHBondContact O-CA 3.06Å; L82-N104 PolarHBondContact O-N 3.5Å; L82-L105 HydrophobicContact CB-CD2 4.1Å; L82-L105 PolarHBondContact O-N 3.41Å
83A94.8Very high95.2Very high58 Ų5841.2 Ų41.248%0.47922%0.216SC..  trans-94.1-29.7177.700000112.4T60 K81T60-A83 PolarHBondContact O-N 3.25Å; K81-A83 PolarHBondContact O-N 3.34Å
84S93.5Very high95.1Very high58 Ų5840.4 Ų40.441%0.40622%0.217SC..  trans-149.1162.8178.962.80000111.5
85V94.9Very high95.1Very high12 Ų1239.1 Ų39.17%0.07321%0.209CC..  trans-123.7131.8171.9176.80000106.5I62 I89 L100 L105 P109I62-V85 HydrophobicContact CD1-CB 4.4Å; I62-V85 HydrophobicContact CD1-CG1 4.1Å; I62-V85 HydrophobicContact CD1-CG2 4.02Å; V85-I89 HydrophobicContact CG1-CB 4.14Å; V85-I89 HydrophobicContact CG1-CG1 4.35Å; V85-I89 HydrophobicContact CG1-CG2 4.22Å; V85-L100 HydrophobicContact CG2-CD1 3.69Å; V85-L100 HydrophobicContact CG2-CD2 4.41Å; V85-L105 HydrophobicContact CG2-CD1 4.22Å; V85-L105 HydrophobicContact CG2-CD2 3.9Å; V85-P109 HydrophobicContact CB-CG 3.92Å; V85-P109 HydrophobicContact CG1-CG 3.83Å
86P94.5Very high95.1Very high23 Ų2343.3 Ų43.315%0.14923%0.227CC..  trans-72.3147.4-175.931.6-37.7000111.6I62 V64 I66 V88 I89I62-P86 HydrophobicContact CB-CG 4.32Å; I62-P86 HydrophobicContact CG2-CG 4.42Å; V64-P86 HydrophobicContact CG1-CB 4.26Å; I66-P86 HydrophobicContact CG2-CG 4.45Å; P86-V88 HydrophobicContact CB-CG2 3.95Å; P86-V88 HydrophobicContact CG-CG2 3.92Å; P86-V88 PolarHBondContact O-N 2.89Å; P86-V88 VanDerWaalsContact O-N 3.09Å; P86-I89 WeakPolarHBondContact O-CB 3.41Å; P86-I89 WeakPolarHBondContact O-CG2 3.45Å; P86-I89 PolarHBondContact O-N 2.95Å; P86-I89 VanDerWaalsContact O-N 3.08Å
87D93.9Very high95.1Very high100 Ų10044.6 Ų44.654%0.53524%0.235SC..G310 helixtrans-59.5-24.3-179.9-84.4-35.4000113.6I89 G90 P109 Q110 G111D87-I89 PolarHBondContact O-N 2.8Å; D87-G90 PolarHBondContact O-N 2.57Å; D87-G90 VanDerWaalsContact O-N 3.14Å; D87-P109 HydrophobicContact CB-CB 4.5Å; D87-P109 WeakPolarHBondContact OD1-CA 2.84Å; D87-P109 WeakPolarHBondContact OD1-CB 3.13Å; D87-Q110 PolarHBondContact OD1-N 2.96Å; D87-G111 WeakPolarHBondContact O-CA 3.34Å; D87-G111 PolarHBondContact OD1-N 3.22Å
88V95.3Very high95.2Very high34 Ų3444.5 Ų44.521%0.20623%0.234CC..G310 helixtrans-61.9-11.7176.6-54.20000113.4V64 I66 Q67 P86 G90 I91V64-V88 HydrophobicContact CB-CG2 4.26Å; V64-V88 WeakPolarHBondContact O-CG2 3.31Å; I66-V88 HydrophobicContact CG2-CG2 4.04Å; Q67-V88 HydrophobicContact CB-CB 4.24Å; Q67-V88 HydrophobicContact CB-CG2 4.36Å; P86-V88 HydrophobicContact CB-CG2 3.95Å; P86-V88 HydrophobicContact CG-CG2 3.92Å; P86-V88 PolarHBondContact O-N 2.89Å; P86-V88 VanDerWaalsContact O-N 3.09Å; V88-G90 PolarHBondContact O-N 3.27Å; V88-G90 VanDerWaalsContact O-N 3.12Å; V88-I91 HydrophobicContact CB-CD1 4.11Å; V88-I91 VanDerWaalsContact O-CB 3.31Å; V88-I91 WeakPolarHBondContact O-CB 3.29Å; V88-I91 WeakPolarHBondContact O-CG1 2.98Å; V88-I91 PolarHBondContact O-N 3.32Å
89I95.3Very high95.4Very high0 Ų045 Ų450%024%0.235CC..G310 helixtrans-53.8-31.3171.5-162.672000111.6L75 V85 P86 D87 I91 L92 P109 L115L75-I89 HydrophobicContact CD2-CD1 3.7Å; V85-I89 HydrophobicContact CG1-CB 4.14Å; V85-I89 HydrophobicContact CG1-CG1 4.35Å; V85-I89 HydrophobicContact CG1-CG2 4.22Å; P86-I89 WeakPolarHBondContact O-CB 3.41Å; P86-I89 WeakPolarHBondContact O-CG2 3.45Å; P86-I89 PolarHBondContact O-N 2.95Å; P86-I89 VanDerWaalsContact O-N 3.08Å; D87-I89 PolarHBondContact O-N 2.8Å; I89-I91 PolarHBondContact O-N 2.93Å; I89-I91 VanDerWaalsContact O-N 3.1Å; I89-L92 HydrophobicContact CD1-CD1 3.68Å; I89-L92 WeakPolarHBondContact O-CB 3.45Å; I89-L92 PolarHBondContact O-N 3.44Å; I89-L92 VanDerWaalsContact O-N 3.1Å; I89-P109 HydrophobicContact CG2-CB 4.48Å; I89-P109 HydrophobicContact CG2-CG 3.76Å; I89-L115 WeakPolarHBondContact O-CD2 3.44Å
90G92.6Very high95.7Very high1 Ų137.9 Ų37.91%0.0121%0.208CC..G310 helixtrans-62.2-15.7177.600000114.6D87 V88 L92 K93 G111D87-G90 PolarHBondContact O-N 2.57Å; D87-G90 VanDerWaalsContact O-N 3.14Å; V88-G90 PolarHBondContact O-N 3.27Å; V88-G90 VanDerWaalsContact O-N 3.12Å; G90-L92 VanDerWaalsContact C-N 3.29Å; G90-K93 WeakPolarHBondContact O-CD 3.48Å; G90-K93 VanDerWaalsContact O-CE 3.28Å; G90-K93 WeakPolarHBondContact O-CE 3.48Å; G90-K93 PolarHBondContact O-NZ 3.28Å; G90-G111 WeakPolarHBondContact CA-O 3.33Å
91I95.3Very high95.8Very high78 Ų7838 Ų3840%0.421%0.21SC..G310 helixtrans-73.6-22.8177.2-61173.9000111.4Q67 V88 I89 K93Q67-I91 HydrophobicContact CB-CB 4.4Å; Q67-I91 HydrophobicContact CB-CD1 3.93Å; Q67-I91 HydrophobicContact CB-CG2 4.45Å; V88-I91 HydrophobicContact CB-CD1 4.11Å; V88-I91 VanDerWaalsContact O-CB 3.31Å; V88-I91 WeakPolarHBondContact O-CB 3.29Å; V88-I91 WeakPolarHBondContact O-CG1 2.98Å; V88-I91 PolarHBondContact O-N 3.32Å; I89-I91 PolarHBondContact O-N 2.93Å; I89-I91 VanDerWaalsContact O-N 3.1Å; I91-K93 PolarHBondContact O-N 2.92Å
92L95.9Very high95.8Very high0 Ų035.9 Ų35.90%021%0.206CC..  trans-75.865.6-178.1-55.1-174.3000112.3I66 L69 L72 I89 G90 S94 L95 L115I66-L92 HydrophobicContact CG1-CD1 4.35Å; L69-L92 WeakPolarHBondContact O-CD2 3.46Å; L72-L92 HydrophobicContact CD2-CD1 4.27Å; I89-L92 HydrophobicContact CD1-CD1 3.68Å; I89-L92 WeakPolarHBondContact O-CB 3.45Å; I89-L92 PolarHBondContact O-N 3.44Å; I89-L92 VanDerWaalsContact O-N 3.1Å; G90-L92 VanDerWaalsContact C-N 3.29Å; L92-S94 PolarHBondContact O-N 2.76Å; L92-L95 HydrophobicContact CB-CB 4.23Å; L92-L95 VanDerWaalsContact O-CB 3.24Å; L92-L95 WeakPolarHBondContact O-CB 3.38Å; L92-L95 PolarHBondContact O-N 3.3Å; L92-L115 HydrophobicContact CB-CD2 4.42Å; L92-L115 VanDerWaalsContact O-CD2 3.24Å; L92-L115 WeakPolarHBondContact O-CD2 3.38Å
93K93.5Very high95.9Very high100 Ų10036.1 Ų36.144%0.43521%0.207SC..THydrogen-bonded Turntrans-60.4-21.2-172.3-58.2-51.6-176.5-168.50114.6G90 I91 L95 Q114 E117G90-K93 WeakPolarHBondContact O-CD 3.48Å; G90-K93 VanDerWaalsContact O-CE 3.28Å; G90-K93 WeakPolarHBondContact O-CE 3.48Å; G90-K93 PolarHBondContact O-NZ 3.28Å; I91-K93 PolarHBondContact O-N 2.92Å; K93-L95 VanDerWaalsContact C-N 3.33Å; K93-Q114 VanDerWaalsContact NZ-CB 3.28Å; K93-Q114 PolarHBondContact NZ-O 3.16Å; K93-E117 WeakPolarHBondContact O-CB 3.43Å; K93-E117 WeakPolarHBondContact O-CG 3.5Å
94S96.4Very high95.9Very high46 Ų4637.3 Ų37.332%0.32221%0.206SC..THydrogen-bonded Turntrans-83.9-4.9178.9-550000113.9T70 L72 L92 K96T70-S94 PolarHBondContact O-OG 2.87Å; L72-S94 CarbonylContact O-C 3.56Å; L72-S94 VanDerWaalsContact O-C 3.3Å; L92-S94 PolarHBondContact O-N 2.76Å; S94-K96 PolarHBondContact O-N 3.12Å
95L98Very high96.1Very high0 Ų034.6 Ų34.60%019%0.186CC..  trans-70.8122.3-172.4-159.175.5000111.2L72 L75 L92 K93 L98 L115 E117 L118L72-L95 HydrophobicContact CB-CD1 4.36Å; L72-L95 HydrophobicContact CD2-CD1 4.14Å; L72-L95 HydrophobicContact CG-CD1 4.11Å; L72-L95 WeakPolarHBondContact O-CA 3.48Å; L72-L95 PolarHBondContact O-N 3Å; L75-L95 HydrophobicContact CB-CD1 3.87Å; L75-L95 HydrophobicContact CB-CD2 4.45Å; L92-L95 HydrophobicContact CB-CB 4.23Å; L92-L95 VanDerWaalsContact O-CB 3.24Å; L92-L95 WeakPolarHBondContact O-CB 3.38Å; L92-L95 PolarHBondContact O-N 3.3Å; K93-L95 VanDerWaalsContact C-N 3.33Å; L95-L98 HydrophobicContact CD2-CB 4.03Å; L95-L98 HydrophobicContact CD2-CD1 4.19Å; L95-L115 HydrophobicContact CB-CD2 4.45Å; L95-L115 HydrophobicContact CD2-CD1 3.99Å; L95-E117 CarbonylContact O-C 3.31Å; L95-E117 VanDerWaalsContact O-C 3.23Å; L95-L118 HydrophobicContact CD2-CD1 4.41Å; L95-L118 VanDerWaalsContact O-CA 3.31Å; L95-L118 WeakPolarHBondContact O-CA 3.45Å; L95-L118 PolarHBondContact O-N 3.15Å; L95-L118 VanDerWaalsContact O-N 3.15Å
96K98.1Very high96.2Very high88 Ų8840.8 Ų40.838%0.38321%0.213SC..  trans-106.8-31.7-179.8-62.9173-174.5165.10112.5Q73 S94 E117 N119 T120Q73-K96 WeakPolarHBondContact O-CA 3.06Å; Q73-K96 PolarHBondContact O-N 3.23Å; S94-K96 PolarHBondContact O-N 3.12Å; K96-E117 WeakPolarHBondContact CA-O 3.19Å; K96-N119 WeakPolarHBondContact O-CA 3.48Å; K96-N119 WeakPolarHBondContact O-CB 3.44Å; K96-N119 PolarHBondContact O-N 2.89Å; K96-T120 PolarHBondContact O-N 2.98Å
97V98.5Very high96.2Very high45 Ų4543.7 Ų43.727%0.27323%0.232SC..EExtended strand (participates in β ladder)trans-129.2125.2-178.8-177.60000109Q73 S74 L75 T120Q73-V97 PolarHBondContact O-N 3.32Å; S74-V97 WeakPolarHBondContact CA-O 3.43Å; L75-V97 PolarHBondContact N-O 3.46Å; V97-T120 HydrophobicContact CG1-CG2 4.45Å
98L98.3Very high96.3Very high2 Ų239.6 Ų39.61%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-124.8112.9171.2-179.361.8000108.9L75 L95 L100 L112 L118 T120 L121 N122L75-L98 HydrophobicContact CB-CD1 4.02Å; L75-L98 HydrophobicContact CD2-CD1 3.89Å; L75-L98 HydrophobicContact CG-CD1 4.08Å; L75-L98 WeakPolarHBondContact O-CA 2.99Å; L95-L98 HydrophobicContact CD2-CB 4.03Å; L95-L98 HydrophobicContact CD2-CD1 4.19Å; L98-L100 HydrophobicContact CD1-CD1 4.23Å; L98-L100 HydrophobicContact CD1-CD2 3.97Å; L98-L100 HydrophobicContact CD1-CG 3.91Å; L98-L100 HydrophobicContact CD2-CD1 4.03Å; L98-L100 HydrophobicContact CD2-CG 4.47Å; L98-L100 HydrophobicContact CG-CD1 4.11Å; L98-L100 HydrophobicContact CG-CG 4Å; L98-L112 HydrophobicContact CD2-CD1 3.35Å; L98-L118 HydrophobicContact CB-CD1 3.84Å; L98-T120 PolarHBondContact N-O 2.77Å; L98-L121 HydrophobicContact CB-CD1 4.31Å; L98-L121 HydrophobicContact CD2-CD1 3.98Å; L98-L121 HydrophobicContact CG-CD1 4.3Å; L98-N122 PolarHBondContact O-N 3.09Å
99D98.1Very high96.3Very high32 Ų3238.6 Ų38.617%0.17120%0.204CC..EExtended strand (participates in β ladder)trans-114.7113.8173.9-166.8-33.3000109.7L75 V76 L77 S101 N122L75-D99 PolarHBondContact O-N 3.3Å; V76-D99 HydrophobicContact CB-CB 4.45Å; V76-D99 HydrophobicContact CG1-CB 4.17Å; V76-D99 HydrophobicContact CG2-CB 4.27Å; L77-D99 PolarHBondContact N-O 2.95Å; D99-S101 WeakPolarHBondContact OD1-CB 3.36Å; D99-S101 PolarHBondContact OD1-N 3.01Å; D99-S101 PolarHBondContact OD1-OG 3.13Å; D99-N122 WeakPolarHBondContact CA-O 3.36Å; D99-N122 HydrophobicContact CB-CB 4.32Å; D99-N122 PolarHBondContact OD1-ND2 3.18Å; D99-N122 PolarHBondContact OD2-ND2 3.02Å
100L97.6Very high96.2Very high1 Ų143.3 Ų43.31%0.00523%0.226CC..  trans-120.825.4175.8-57.2171.9000110.4L77 L82 V85 L98 N103 L105 L108 N122 V123 N126L77-L100 HydrophobicContact CB-CD2 3.92Å; L77-L100 HydrophobicContact CD1-CD2 3.97Å; L77-L100 HydrophobicContact CG-CD2 4.34Å; L82-L100 HydrophobicContact CD1-CD2 4.43Å; V85-L100 HydrophobicContact CG2-CD1 3.69Å; V85-L100 HydrophobicContact CG2-CD2 4.41Å; L98-L100 HydrophobicContact CD1-CD1 4.23Å; L98-L100 HydrophobicContact CD1-CD2 3.97Å; L98-L100 HydrophobicContact CD1-CG 3.91Å; L98-L100 HydrophobicContact CD2-CD1 4.03Å; L98-L100 HydrophobicContact CD2-CG 4.47Å; L98-L100 HydrophobicContact CG-CD1 4.11Å; L98-L100 HydrophobicContact CG-CG 4Å; L100-N103 PolarHBondContact O-ND2 2.9Å; L100-L105 HydrophobicContact CB-CD1 3.85Å; L100-L105 HydrophobicContact CD1-CD1 3.95Å; L100-L105 HydrophobicContact CG-CD1 4.49Å; L100-L108 HydrophobicContact CD1-CD2 4.49Å; L100-N122 PolarHBondContact N-O 2.82Å; L100-V123 HydrophobicContact CB-CG1 4.29Å; L100-V123 HydrophobicContact CD1-CG1 4.36Å; L100-N126 PolarHBondContact O-ND2 2.67Å
101S96.5Very high96.3Very high13 Ų1343.5 Ų43.59%0.09123%0.229CC..  trans-67.9149.1-174.960.60000113.1C78 R79 D99 N103 S124C78-S101 CarbonylContact C-O 3.59Å; C78-S101 WeakPolarHBondContact CA-O 3.47Å; C78-S101 WeakPolarHBondContact CB-O 3.31Å; C78-S101 WeakPolarHBondContact CB-OG 3.47Å; R79-S101 PolarHBondContact N-O 2.96Å; D99-S101 WeakPolarHBondContact OD1-CB 3.36Å; D99-S101 PolarHBondContact OD1-N 3.01Å; D99-S101 PolarHBondContact OD1-OG 3.13Å; S101-N103 PolarHBondContact O-ND2 2.85Å; S101-S124 CarbonylContact C-O 3.1Å; S101-S124 WeakPolarHBondContact CA-O 3.42Å; S101-S124 WeakPolarHBondContact CB-O 3.25Å; S101-S124 WeakPolarHBondContact CB-OG 3.22Å
102V95.5Very high96.3Very high62 Ų6239.9 Ų39.938%0.37621%0.21SC..SBendtrans58.963180-164.70000110.8R79 N80 S124 C125R79-V102 CarbonylContact C-O 3.48Å; R79-V102 WeakPolarHBondContact CA-O 3.34Å; R79-V102 HydrophobicContact CB-CB 4.43Å; R79-V102 HydrophobicContact CB-CG1 4.45Å; R79-V102 HydrophobicContact CG-CB 3.9Å; R79-V102 HydrophobicContact CG-CG1 4.07Å; R79-V102 HydrophobicContact CG-CG2 4.18Å; R79-V102 PolarHBondContact N-O 2.88Å; N80-V102 PolarHBondContact N-O 2.92Å; V102-S124 PolarHBondContact N-O 3.02Å; V102-C125 WeakPolarHBondContact CA-O 3.39Å; V102-C125 HydrophobicContact CB-CB 4.31Å; V102-C125 HydrophobicContact CG2-CB 3.82Å; V102-C125 PolarHBondContact N-O 3.35Å
103N96.7Very high96.2Very high5 Ų540.9 Ų40.93%0.02722%0.216CC..SBendtrans-135.8-169.9174.2-79.5-73.3000109.5L77 N80 K81 L82 L100 S101 L105 C125 N126L77-N103 PolarHBondContact O-ND2 3.34Å; N80-N103 WeakPolarHBondContact CA-OD1 3.35Å; N80-N103 VanDerWaalsContact CB-OD1 3.27Å; N80-N103 WeakPolarHBondContact CB-OD1 3.02Å; N80-N103 PolarHBondContact N-OD1 3.24Å; N80-N103 PolarHBondContact O-OD1 2.98Å; K81-N103 PolarHBondContact N-OD1 2.94Å; L82-N103 HydrophobicContact CB-CB 4.12Å; L82-N103 WeakPolarHBondContact CB-OD1 3.28Å; L82-N103 WeakPolarHBondContact CG-OD1 3.14Å; L82-N103 PolarHBondContact N-OD1 3.23Å; L100-N103 PolarHBondContact O-ND2 2.9Å; S101-N103 PolarHBondContact O-ND2 2.85Å; N103-L105 HydrophobicContact CB-CG 4.2Å; N103-C125 PolarHBondContact N-O 3.31Å; N103-N126 VanDerWaalsContact CA-OD1 3.32Å; N103-N126 WeakPolarHBondContact CA-OD1 3.35Å; N103-N126 WeakPolarHBondContact CB-OD1 3.38Å; N103-N126 PolarHBondContact N-OD1 3.19Å; N103-N126 PolarHBondContact O-OD1 2.88Å; N103-N126 VanDerWaalsContact O-OD1 3.14Å
104N96.4Very high96.3Very high84 Ų8441 Ų4145%0.44922%0.218SC..  trans-114.130.5-179.3-64.1-20.6000112.1L82 K106 N126L82-N104 CarbonylContact O-C 3.58Å; L82-N104 WeakPolarHBondContact O-CA 3.06Å; L82-N104 PolarHBondContact O-N 3.5Å; N104-K106 PolarHBondContact O-N 2.99Å; N104-N126 PolarHBondContact N-OD1 3.06Å
105L97.3Very high96.3Very high0 Ų038.8 Ų38.80%020%0.203CC..  trans-68.1131.1-176-60.4172.6000110.6L82 V85 L100 N103 L108 N126 C127 L128L82-L105 HydrophobicContact CB-CD2 4.1Å; L82-L105 PolarHBondContact O-N 3.41Å; V85-L105 HydrophobicContact CG2-CD1 4.22Å; V85-L105 HydrophobicContact CG2-CD2 3.9Å; L100-L105 HydrophobicContact CB-CD1 3.85Å; L100-L105 HydrophobicContact CD1-CD1 3.95Å; L100-L105 HydrophobicContact CG-CD1 4.49Å; N103-L105 HydrophobicContact CB-CG 4.2Å; L105-L108 HydrophobicContact CD1-CD2 4.28Å; L105-N126 HydrophobicContact CB-CB 4.28Å; L105-N126 VanDerWaalsContact CB-OD1 3.32Å; L105-N126 WeakPolarHBondContact CB-OD1 3.29Å; L105-N126 WeakPolarHBondContact CG-OD1 3.43Å; L105-N126 PolarHBondContact N-OD1 2.63Å; L105-C127 CarbonylContact O-C 3.05Å; L105-C127 VanDerWaalsContact O-CA 3.27Å; L105-C127 WeakPolarHBondContact O-CA 3.2Å; L105-C127 WeakPolarHBondContact O-CB 2.95Å; L105-C127 PolarHBondContact O-N 3.5Å; L105-L128 HydrophobicContact CB-CD2 3.94Å; L105-L128 PolarHBondContact O-N 2.96Å; L105-L128 VanDerWaalsContact O-N 3.15Å
106K95.8Very high96.1Very high143 Ų14345.3 Ų45.362%0.62223%0.231SC*.SBendtrans-96.9-31.8174.4-65.7-174.3178.4-176.20113.4N104 C127 L128 E129N104-K106 PolarHBondContact O-N 2.99Å; K106-C127 HydrophobicContact CG-CB 4.49Å; K106-L128 WeakPolarHBondContact O-CA 3.46Å; K106-E129 PolarHBondContact O-N 3.2Å
107C95.4Very high96.1Very high83 Ų8344.4 Ų44.456%0.56123%0.228SC*.  trans-141.9160.5176.257.80000110.2
108L96.3Very high96.1Very high15 Ų1542.2 Ų42.28%0.07922%0.215CC..  trans-102.7145.1169.8-61.7173.3000109.5L100 L105 L112 V123 L128 L131 P132L100-L108 HydrophobicContact CD1-CD2 4.49Å; L105-L108 HydrophobicContact CD1-CD2 4.28Å; L108-L112 HydrophobicContact CB-CD2 4.3Å; L108-L112 HydrophobicContact CD1-CD2 3.91Å; L108-V123 HydrophobicContact CD1-CG1 4.18Å; L108-V123 HydrophobicContact CD1-CG2 4.38Å; L108-V123 HydrophobicContact CD2-CG1 3.91Å; L108-L128 HydrophobicContact CD1-CD1 4.13Å; L108-L128 HydrophobicContact CD2-CD1 4.31Å; L108-L128 HydrophobicContact CD2-CD2 4.18Å; L108-L128 HydrophobicContact CG-CD1 4.1Å; L108-L128 HydrophobicContact CG-CD2 3.97Å; L108-L131 HydrophobicContact CD1-CD2 3.89Å; L108-P132 HydrophobicContact CB-CG 4.18Å
109P95.1Very high96Very high12 Ų1245.5 Ų45.58%0.07823%0.233CC..  trans-64.9148.2178.224-32.9000111.9V85 D87 I89 G111 L112V85-P109 HydrophobicContact CB-CG 3.92Å; V85-P109 HydrophobicContact CG1-CG 3.83Å; D87-P109 HydrophobicContact CB-CB 4.5Å; D87-P109 WeakPolarHBondContact OD1-CA 2.84Å; D87-P109 WeakPolarHBondContact OD1-CB 3.13Å; I89-P109 HydrophobicContact CG2-CB 4.48Å; I89-P109 HydrophobicContact CG2-CG 3.76Å; P109-G111 PolarHBondContact O-N 2.93Å; P109-L112 VanDerWaalsContact O-CB 3.24Å; P109-L112 WeakPolarHBondContact O-CB 2.99Å; P109-L112 PolarHBondContact O-N 3.38Å; P109-L112 VanDerWaalsContact O-N 3.15Å
110Q93.4Very high96Very high99 Ų9945.9 Ų45.946%0.46324%0.237SC..G310 helixtrans-65.1-27.5174.3-80.3-66-12.700111.6D87 L112 T113 D133D87-Q110 PolarHBondContact OD1-N 2.96Å; Q110-L112 PolarHBondContact O-N 3.45Å; Q110-L112 VanDerWaalsContact O-N 3.09Å; Q110-T113 PolarHBondContact O-N 2.83Å; Q110-T113 VanDerWaalsContact O-N 3.15Å; Q110-T113 PolarHBondContact O-OG1 3.08Å; Q110-D133 PolarHBondContact OE1-O 3.25Å
111G93.2Very high96.1Very high6 Ų645.9 Ų45.96%0.06224%0.236CC..G310 helixtrans-55.1-25.4173.300000114.5D87 G90 P109 T113 Q114D87-G111 WeakPolarHBondContact O-CA 3.34Å; D87-G111 PolarHBondContact OD1-N 3.22Å; G90-G111 WeakPolarHBondContact CA-O 3.33Å; P109-G111 PolarHBondContact O-N 2.93Å; G111-T113 PolarHBondContact O-N 3.05Å; G111-Q114 WeakPolarHBondContact O-CB 2.99Å; G111-Q114 PolarHBondContact O-N 2.86Å; G111-Q114 VanDerWaalsContact O-N 3.07Å
112L95.8Very high96.2Very high2 Ų246.5 Ų46.51%0.0124%0.239CC..G310 helixtrans-57.1-35.1178-172.475.3000112.6L98 L108 P109 Q110 Q114 L115 L118 L121 P132 L135L98-L112 HydrophobicContact CD2-CD1 3.35Å; L108-L112 HydrophobicContact CB-CD2 4.3Å; L108-L112 HydrophobicContact CD1-CD2 3.91Å; P109-L112 VanDerWaalsContact O-CB 3.24Å; P109-L112 WeakPolarHBondContact O-CB 2.99Å; P109-L112 PolarHBondContact O-N 3.38Å; P109-L112 VanDerWaalsContact O-N 3.15Å; Q110-L112 PolarHBondContact O-N 3.45Å; Q110-L112 VanDerWaalsContact O-N 3.09Å; L112-Q114 PolarHBondContact O-N 3.13Å; L112-Q114 VanDerWaalsContact O-N 3.15Å; L112-L115 HydrophobicContact CD1-CD1 3.86Å; L112-L115 WeakPolarHBondContact O-CB 3.06Å; L112-L115 WeakPolarHBondContact O-CG 3.24Å; L112-L115 PolarHBondContact O-N 3.08Å; L112-L118 HydrophobicContact CD1-CD2 4.38Å; L112-L121 HydrophobicContact CD1-CD1 4.29Å; L112-L121 HydrophobicContact CD2-CD1 4.27Å; L112-L121 HydrophobicContact CD2-CD2 3.96Å; L112-P132 HydrophobicContact CD2-CG 4.31Å; L112-L135 HydrophobicContact CD2-CD1 4.11Å
113T94.3Very high96.3Very high21 Ų2143.5 Ų43.513%0.12922%0.221CC..G310 helixtrans-65.6-15.7-179.365.80000113.1Q110 G111 L115 P132 D133 G134 Q137Q110-T113 PolarHBondContact O-N 2.83Å; Q110-T113 VanDerWaalsContact O-N 3.15Å; Q110-T113 PolarHBondContact O-OG1 3.08Å; G111-T113 PolarHBondContact O-N 3.05Å; T113-L115 VanDerWaalsContact C-N 3.34Å; T113-P132 HydrophobicContact CG2-CB 4.44Å; T113-D133 WeakPolarHBondContact CG2-O 3.42Å; T113-G134 WeakPolarHBondContact CB-O 3.16Å; T113-Q137 WeakPolarHBondContact O-CB 3.4Å
114Q95.2Very high96.3Very high101 Ų10143.9 Ų43.947%0.47222%0.224SC..G310 helixtrans-87.7-1.8-179.2-50.7-168.7-300114.1K93 G111 L112 K116K93-Q114 VanDerWaalsContact NZ-CB 3.28Å; K93-Q114 PolarHBondContact NZ-O 3.16Å; G111-Q114 WeakPolarHBondContact O-CB 2.99Å; G111-Q114 PolarHBondContact O-N 2.86Å; G111-Q114 VanDerWaalsContact O-N 3.07Å; L112-Q114 PolarHBondContact O-N 3.13Å; L112-Q114 VanDerWaalsContact O-N 3.15Å; Q114-K116 PolarHBondContact O-N 3.22Å; Q114-K116 VanDerWaalsContact O-N 3.15Å
115L96.6Very high96.4Very high1 Ų142 Ų421%0.00522%0.216CC..  trans-85.576.5-176.8-60.5-179.3000111.4I89 L92 L95 L112 T113 E117 L118I89-L115 WeakPolarHBondContact O-CD2 3.44Å; L92-L115 HydrophobicContact CB-CD2 4.42Å; L92-L115 VanDerWaalsContact O-CD2 3.24Å; L92-L115 WeakPolarHBondContact O-CD2 3.38Å; L95-L115 HydrophobicContact CB-CD2 4.45Å; L95-L115 HydrophobicContact CD2-CD1 3.99Å; L112-L115 HydrophobicContact CD1-CD1 3.86Å; L112-L115 WeakPolarHBondContact O-CB 3.06Å; L112-L115 WeakPolarHBondContact O-CG 3.24Å; L112-L115 PolarHBondContact O-N 3.08Å; T113-L115 VanDerWaalsContact C-N 3.34Å; L115-E117 PolarHBondContact O-N 3.42Å; L115-L118 HydrophobicContact CB-CB 3.92Å; L115-L118 HydrophobicContact CD1-CD1 4.5Å; L115-L118 HydrophobicContact CD1-CD2 4.37Å; L115-L118 VanDerWaalsContact O-CB 3.22Å; L115-L118 WeakPolarHBondContact O-CB 3.37Å; L115-L118 PolarHBondContact O-N 2.83Å; L115-L118 VanDerWaalsContact O-N 3.07Å
116K94.6Very high96.4Very high136 Ų13642.5 Ų42.559%0.59122%0.219SC*.THydrogen-bonded Turntrans-63.5-24.1-175-61.8-173.4178.8-176.20114.7Q114Q114-K116 PolarHBondContact O-N 3.22Å; Q114-K116 VanDerWaalsContact O-N 3.15Å
117E97.1Very high96.5Very high69 Ų6937.9 Ų37.932%0.32220%0.204SC..THydrogen-bonded Turntrans-89.2-2.9178-65.5-62133.600113.6K93 L95 K96 L115 N119 K140K93-E117 WeakPolarHBondContact O-CB 3.43Å; K93-E117 WeakPolarHBondContact O-CG 3.5Å; L95-E117 CarbonylContact O-C 3.31Å; L95-E117 VanDerWaalsContact O-C 3.23Å; K96-E117 WeakPolarHBondContact CA-O 3.19Å; L115-E117 PolarHBondContact O-N 3.42Å; E117-N119 PolarHBondContact O-N 3.5Å; E117-K140 IonicContact OE1-NZ 3.2Å; E117-K140 PolarHBondContact OE1-NZ 2.95Å; E117-K140 WeakPolarHBondContact OE2-CD 3.31Å; E117-K140 IonicContact OE2-NZ 3.95Å; E117-K140 PolarHBondContact OE2-NZ 3.49Å
118L98.1Very high96.6Very high0 Ų033.9 Ų33.90%018%0.177CC..  trans-66.2121.6-176.3-166.370.6000110.2L95 L98 L112 L115 L121 K140 L141L95-L118 HydrophobicContact CD2-CD1 4.41Å; L95-L118 VanDerWaalsContact O-CA 3.31Å; L95-L118 WeakPolarHBondContact O-CA 3.45Å; L95-L118 PolarHBondContact O-N 3.15Å; L95-L118 VanDerWaalsContact O-N 3.15Å; L98-L118 HydrophobicContact CB-CD1 3.84Å; L112-L118 HydrophobicContact CD1-CD2 4.38Å; L115-L118 HydrophobicContact CB-CB 3.92Å; L115-L118 HydrophobicContact CD1-CD1 4.5Å; L115-L118 HydrophobicContact CD1-CD2 4.37Å; L115-L118 VanDerWaalsContact O-CB 3.22Å; L115-L118 WeakPolarHBondContact O-CB 3.37Å; L115-L118 PolarHBondContact O-N 2.83Å; L115-L118 VanDerWaalsContact O-N 3.07Å; L118-L121 HydrophobicContact CD2-CB 4.22Å; L118-L121 HydrophobicContact CD2-CD1 4.44Å; L118-K140 CarbonylContact O-C 3.2Å; L118-L141 HydrophobicContact CB-CD1 4.25Å; L118-L141 HydrophobicContact CD2-CD1 3.81Å; L118-L141 HydrophobicContact CG-CD1 3.88Å; L118-L141 WeakPolarHBondContact O-CA 3.49Å; L118-L141 PolarHBondContact O-N 2.85Å
119N97.6Very high96.5Very high71 Ų7139.3 Ų39.338%0.3820%0.202SC..  trans-103.3-44.4179.6-178.9-39.6000110.8K96 E117 K140 A142 T143K96-N119 WeakPolarHBondContact O-CA 3.48Å; K96-N119 WeakPolarHBondContact O-CB 3.44Å; K96-N119 PolarHBondContact O-N 2.89Å; E117-N119 PolarHBondContact O-N 3.5Å; N119-K140 WeakPolarHBondContact CA-O 3.31Å; N119-A142 PolarHBondContact O-N 2.86Å; N119-A142 VanDerWaalsContact OD1-CB 3.31Å; N119-A142 WeakPolarHBondContact OD1-CB 3.42Å; N119-T143 PolarHBondContact O-N 2.9Å; N119-T143 VanDerWaalsContact O-N 3.09Å
120T98.4Very high96.5Very high40 Ų4040.1 Ų40.125%0.24521%0.213CC..EExtended strand (participates in β ladder)trans-123122.6-176.5-61.20000110.7K96 V97 L98 T143K96-T120 PolarHBondContact O-N 2.98Å; V97-T120 HydrophobicContact CG1-CG2 4.45Å; L98-T120 PolarHBondContact N-O 2.77Å; T120-T143 WeakPolarHBondContact CA-O 3.42Å; T120-T143 HydrophobicContact CG2-CG2 4.46Å
121L98.5Very high96.6Very high0 Ų036.1 Ų36.10%020%0.195CC..EExtended strand (participates in β ladder)trans-115.9113.6171.1178.263.7000109.2L98 L112 L118 V123 L135 L141 T143 I144 N145L98-L121 HydrophobicContact CB-CD1 4.31Å; L98-L121 HydrophobicContact CD2-CD1 3.98Å; L98-L121 HydrophobicContact CG-CD1 4.3Å; L112-L121 HydrophobicContact CD1-CD1 4.29Å; L112-L121 HydrophobicContact CD2-CD1 4.27Å; L112-L121 HydrophobicContact CD2-CD2 3.96Å; L118-L121 HydrophobicContact CD2-CB 4.22Å; L118-L121 HydrophobicContact CD2-CD1 4.44Å; L121-V123 HydrophobicContact CD1-CG1 3.74Å; L121-V123 HydrophobicContact CG-CG1 4.18Å; L121-L135 HydrophobicContact CD2-CD1 4.25Å; L121-L135 HydrophobicContact CD2-CD2 4.4Å; L121-L141 HydrophobicContact CB-CD1 4.13Å; L121-T143 PolarHBondContact N-O 3.39Å; L121-I144 WeakPolarHBondContact O-CA 3.4Å; L121-N145 PolarHBondContact O-N 3.21Å
122N98.4Very high96.7Very high26 Ų2636.3 Ų36.314%0.13920%0.195CC..EExtended strand (participates in β ladder)trans-116.4110.1173.1-177.513.6000109.7L98 D99 L100 S124L98-N122 PolarHBondContact O-N 3.09Å; D99-N122 WeakPolarHBondContact CA-O 3.36Å; D99-N122 HydrophobicContact CB-CB 4.32Å; D99-N122 PolarHBondContact OD1-ND2 3.18Å; D99-N122 PolarHBondContact OD2-ND2 3.02Å; L100-N122 PolarHBondContact N-O 2.82Å; N122-S124 WeakPolarHBondContact OD1-CB 3.33Å; N122-S124 PolarHBondContact OD1-N 3Å; N122-S124 PolarHBondContact OD1-OG 3.46Å
123V98.1Very high96.5Very high0 Ų041.1 Ų41.10%022%0.22CC..  trans-125.526.1176.4-62.60000110.4L100 L108 L121 N126 L128 N145 V146 N149L100-V123 HydrophobicContact CB-CG1 4.29Å; L100-V123 HydrophobicContact CD1-CG1 4.36Å; L108-V123 HydrophobicContact CD1-CG1 4.18Å; L108-V123 HydrophobicContact CD1-CG2 4.38Å; L108-V123 HydrophobicContact CD2-CG1 3.91Å; L121-V123 HydrophobicContact CD1-CG1 3.74Å; L121-V123 HydrophobicContact CG-CG1 4.18Å; V123-N126 PolarHBondContact O-ND2 3.07Å; V123-L128 HydrophobicContact CB-CD1 3.87Å; V123-L128 HydrophobicContact CG2-CD1 3.6Å; V123-N145 PolarHBondContact N-O 3.5Å; V123-V146 HydrophobicContact CG2-CB 4.23Å; V123-V146 HydrophobicContact CG2-CG1 3.54Å; V123-N149 PolarHBondContact O-ND2 3.35Å
124S97.6Very high96.4Very high13 Ų1340.9 Ų40.99%0.09122%0.223CC..  trans-62.8155.2179.957.90000112.9S101 V102 N122 N126 N145 S147S101-S124 CarbonylContact C-O 3.1Å; S101-S124 WeakPolarHBondContact CA-O 3.42Å; S101-S124 WeakPolarHBondContact CB-O 3.25Å; S101-S124 WeakPolarHBondContact CB-OG 3.22Å; V102-S124 PolarHBondContact N-O 3.02Å; N122-S124 WeakPolarHBondContact OD1-CB 3.33Å; N122-S124 PolarHBondContact OD1-N 3Å; N122-S124 PolarHBondContact OD1-OG 3.46Å; S124-N126 PolarHBondContact O-ND2 3.42Å; S124-N145 PolarHBondContact N-O 2.73Å; S124-S147 CarbonylContact C-O 3.51Å; S124-S147 WeakPolarHBondContact CA-O 3.5Å; S124-S147 WeakPolarHBondContact CB-O 3.5Å; S124-S147 WeakPolarHBondContact CB-OG 3.46Å
125C97Very high96.4Very high43 Ų4336.1 Ų36.129%0.29120%0.2SC..SBendtrans55.356.2-179.8-58.90000112.5V102 N103 S147 K148V102-C125 WeakPolarHBondContact CA-O 3.39Å; V102-C125 HydrophobicContact CB-CB 4.31Å; V102-C125 HydrophobicContact CG2-CB 3.82Å; V102-C125 PolarHBondContact N-O 3.35Å; N103-C125 PolarHBondContact N-O 3.31Å; C125-S147 PolarHBondContact N-O 3.18Å; C125-K148 VanDerWaalsContact CA-O 3.23Å; C125-K148 WeakPolarHBondContact CA-O 3.23Å; C125-K148 HydrophobicContact CB-CB 4.47Å; C125-K148 PolarHBondContact N-O 3.43Å; C125-K148 WeakPolarHBondContact SG-CD 3.28Å
126N97.8Very high96.2Very high11 Ų1136.3 Ų36.36%0.05920%0.202CC..SBendtrans-128.3-168.3174.9-85.5-79.9000109.3L100 N103 N104 L105 V123 S124 L128 K148 N149L100-N126 PolarHBondContact O-ND2 2.67Å; N103-N126 VanDerWaalsContact CA-OD1 3.32Å; N103-N126 WeakPolarHBondContact CA-OD1 3.35Å; N103-N126 WeakPolarHBondContact CB-OD1 3.38Å; N103-N126 PolarHBondContact N-OD1 3.19Å; N103-N126 PolarHBondContact O-OD1 2.88Å; N103-N126 VanDerWaalsContact O-OD1 3.14Å; N104-N126 PolarHBondContact N-OD1 3.06Å; L105-N126 HydrophobicContact CB-CB 4.28Å; L105-N126 VanDerWaalsContact CB-OD1 3.32Å; L105-N126 WeakPolarHBondContact CB-OD1 3.29Å; L105-N126 WeakPolarHBondContact CG-OD1 3.43Å; L105-N126 PolarHBondContact N-OD1 2.63Å; V123-N126 PolarHBondContact O-ND2 3.07Å; S124-N126 PolarHBondContact O-ND2 3.42Å; N126-L128 HydrophobicContact CB-CG 4.12Å; N126-K148 PolarHBondContact N-O 3.11Å; N126-K148 VanDerWaalsContact N-O 3.16Å; N126-N149 VanDerWaalsContact CA-OD1 3.26Å; N126-N149 WeakPolarHBondContact CA-OD1 3.4Å; N126-N149 WeakPolarHBondContact CB-OD1 3.43Å; N126-N149 PolarHBondContact N-OD1 3.39Å; N126-N149 PolarHBondContact O-OD1 3.32Å
127C97.3Very high96.2Very high46 Ų4633.5 Ų33.531%0.31119%0.191SC..  trans-111.826.1176.9-62.20000112.2L105 K106 E129 N149 Q150L105-C127 CarbonylContact O-C 3.05Å; L105-C127 VanDerWaalsContact O-CA 3.27Å; L105-C127 WeakPolarHBondContact O-CA 3.2Å; L105-C127 WeakPolarHBondContact O-CB 2.95Å; L105-C127 PolarHBondContact O-N 3.5Å; K106-C127 HydrophobicContact CG-CB 4.49Å; C127-E129 PolarHBondContact O-N 3.19Å; C127-N149 PolarHBondContact N-OD1 3.15Å; C127-Q150 PolarHBondContact O-NE2 3.39Å; C127-Q150 VanDerWaalsContact O-NE2 3.12Å
128L97.8Very high96.1Very high0 Ų030.2 Ų30.20%018%0.175CC..  trans-64.4129.4-173.1-62.5174000111.6L105 K106 L108 V123 N126 N149 Q150 I151L105-L128 HydrophobicContact CB-CD2 3.94Å; L105-L128 PolarHBondContact O-N 2.96Å; L105-L128 VanDerWaalsContact O-N 3.15Å; K106-L128 WeakPolarHBondContact O-CA 3.46Å; L108-L128 HydrophobicContact CD1-CD1 4.13Å; L108-L128 HydrophobicContact CD2-CD1 4.31Å; L108-L128 HydrophobicContact CD2-CD2 4.18Å; L108-L128 HydrophobicContact CG-CD1 4.1Å; L108-L128 HydrophobicContact CG-CD2 3.97Å; V123-L128 HydrophobicContact CB-CD1 3.87Å; V123-L128 HydrophobicContact CG2-CD1 3.6Å; N126-L128 HydrophobicContact CB-CG 4.12Å; L128-N149 HydrophobicContact CB-CB 4.19Å; L128-N149 VanDerWaalsContact CB-OD1 3.28Å; L128-N149 WeakPolarHBondContact CB-OD1 3.12Å; L128-N149 WeakPolarHBondContact CG-OD1 3.21Å; L128-N149 PolarHBondContact N-OD1 3.41Å; L128-Q150 CarbonylContact O-C 3.22Å; L128-Q150 VanDerWaalsContact O-CA 3.25Å; L128-Q150 WeakPolarHBondContact O-CA 3.4Å; L128-Q150 WeakPolarHBondContact O-CB 3.28Å; L128-Q150 PolarHBondContact O-N 3.16Å; L128-I151 HydrophobicContact CB-CG1 4.4Å; L128-I151 PolarHBondContact O-N 3.48Å; L128-I151 VanDerWaalsContact O-N 3.17Å
129E95.6Very high95.9Very high128 Ų12833 Ų3360%0.59819%0.193SC*.SBendtrans-88.8-19.7175.9-65.3178-163.600112.6K106 C127 I151K106-E129 PolarHBondContact O-N 3.2Å; C127-E129 PolarHBondContact O-N 3.19Å; E129-I151 WeakPolarHBondContact O-CA 3.5Å
130G94.6Very high95.9Very high29 Ų2933.7 Ų33.730%0.29919%0.192SC..  trans-167.3170.1179.600000112.3
131L95.9Very high95.9Very high16 Ų1631.8 Ų31.88%0.08418%0.18CC..PPolyproline II helixtrans-97.5152.6170-68.2174.8000109.9L108 L135 V146 I151 F154 P155 L158L108-L131 HydrophobicContact CD1-CD2 3.89Å; L131-L135 HydrophobicContact CD1-CD2 4.42Å; L131-V146 HydrophobicContact CD1-CG1 4.2Å; L131-V146 HydrophobicContact CD2-CG1 3.78Å; L131-V146 HydrophobicContact CG-CG1 4.44Å; L131-I151 HydrophobicContact CG-CD1 4.28Å; L131-F154 HydrophobicContact CD1-CD1 4.36Å; L131-P155 HydrophobicContact CB-CG 4.01Å; L131-L158 HydrophobicContact CD1-CD2 4.39Å
132P94.5Very high95.8Very high10 Ų1032.7 Ų32.77%0.06519%0.188CC..PPolyproline II helixtrans-69.7139.1177.628.8-32.5000110.5L108 L112 T113L108-P132 HydrophobicContact CB-CG 4.18Å; L112-P132 HydrophobicContact CD2-CG 4.31Å; T113-P132 HydrophobicContact CG2-CB 4.44Å
133D92.3Very high95.8Very high102 Ų10233.5 Ų33.555%0.54519%0.193SC..THydrogen-bonded Turntrans-59.7142.5168.3-61.2-35000109.9Q110 T113Q110-D133 PolarHBondContact OE1-O 3.25Å; T113-D133 WeakPolarHBondContact CG2-O 3.42Å
134G92.4Very high95.8Very high17 Ų1733.5 Ų33.518%0.17519%0.193CC..THydrogen-bonded Turntrans94.37.7179.600000114.1T113 S136 Q137 D157T113-G134 WeakPolarHBondContact CB-O 3.16Å; G134-S136 PolarHBondContact O-N 3.05Å; G134-S136 VanDerWaalsContact O-N 3.12Å; G134-Q137 WeakPolarHBondContact O-CB 3.38Å; G134-Q137 VanDerWaalsContact O-CG 3.32Å; G134-Q137 WeakPolarHBondContact O-CG 3.34Å; G134-Q137 PolarHBondContact O-N 3.46Å; G134-D157 VanDerWaalsContact C-OD2 3.29Å; G134-D157 WeakPolarHBondContact CA-OD2 3.45Å; G134-D157 PolarHBondContact N-OD2 3.48Å
135L94Very high95.9Very high0 Ų034.7 Ų34.70%020%0.199CC..G310 helixtrans-60.5-22174.4-160.767000112L112 L121 L131 Q137 C138 L141 I144 D157 L158L112-L135 HydrophobicContact CD2-CD1 4.11Å; L121-L135 HydrophobicContact CD2-CD1 4.25Å; L121-L135 HydrophobicContact CD2-CD2 4.4Å; L131-L135 HydrophobicContact CD1-CD2 4.42Å; L135-Q137 PolarHBondContact O-N 3.47Å; L135-Q137 VanDerWaalsContact O-N 3.15Å; L135-C138 WeakPolarHBondContact O-CB 3.49Å; L135-C138 PolarHBondContact O-N 3.41Å; L135-C138 VanDerWaalsContact O-N 3.08Å; L135-L141 HydrophobicContact CD2-CD2 4.29Å; L135-L141 HydrophobicContact CG-CD2 4.25Å; L135-I144 HydrophobicContact CD2-CD1 3.98Å; L135-D157 PolarHBondContact N-OD2 3.27Å; L135-L158 HydrophobicContact CD2-CD1 3.95Å
136S92.8Very high95.9Very high6 Ų632.7 Ų32.74%0.04219%0.185CC..G310 helixtrans-57.8-18169.659.30000115.2G134 C138 D157G134-S136 PolarHBondContact O-N 3.05Å; G134-S136 VanDerWaalsContact O-N 3.12Å; S136-C138 VanDerWaalsContact C-N 3.3Å; S136-D157 WeakPolarHBondContact CB-O 3.43Å; S136-D157 WeakPolarHBondContact CB-OD2 3.42Å; S136-D157 PolarHBondContact N-OD2 3.28Å; S136-D157 PolarHBondContact OG-OD2 3.06Å
137Q94.5Very high95.9Very high77 Ų7732.8 Ų32.836%0.3619%0.187SC..G310 helixtrans-75.7-18.7175.5-57.4-47.8-53.300113T113 G134 L135 T139T113-Q137 WeakPolarHBondContact O-CB 3.4Å; G134-Q137 WeakPolarHBondContact O-CB 3.38Å; G134-Q137 VanDerWaalsContact O-CG 3.32Å; G134-Q137 WeakPolarHBondContact O-CG 3.34Å; G134-Q137 PolarHBondContact O-N 3.46Å; L135-Q137 PolarHBondContact O-N 3.47Å; L135-Q137 VanDerWaalsContact O-N 3.15Å; Q137-T139 PolarHBondContact O-N 2.95Å
138C95.8Very high95.9Very high0 Ų036 Ų360%020%0.196CC..  trans-79.469.3173.4-60.70000109.6L135 S136 K140 L141 L163L135-C138 WeakPolarHBondContact O-CB 3.49Å; L135-C138 PolarHBondContact O-N 3.41Å; L135-C138 VanDerWaalsContact O-N 3.08Å; S136-C138 VanDerWaalsContact C-N 3.3Å; C138-K140 PolarHBondContact O-N 3.47Å; C138-K140 VanDerWaalsContact O-N 3.07Å; C138-L141 HydrophobicContact CB-CB 4.22Å; C138-L141 HydrophobicContact CB-CD1 4.38Å; C138-L141 WeakPolarHBondContact O-CB 3.5Å; C138-L141 PolarHBondContact O-N 3.42Å; C138-L163 VanDerWaalsContact O-CD2 3.28Å; C138-L163 WeakPolarHBondContact O-CD2 3.49Å
139T94.2Very high95.9Very high59 Ų5936.6 Ų36.636%0.36220%0.199SC..THydrogen-bonded Turntrans-62.8-20.2-170.157.60000114.5Q137 L141Q137-T139 PolarHBondContact O-N 2.95Å; T139-L141 VanDerWaalsContact C-N 3.34Å
140K96.9Very high96Very high85 Ų8535.4 Ų35.437%0.3719%0.193SC..THydrogen-bonded Turntrans-87.51.7177.3-71.3-176.8170.2170.30114.9E117 L118 N119 C138 A142E117-K140 IonicContact OE1-NZ 3.2Å; E117-K140 PolarHBondContact OE1-NZ 2.95Å; E117-K140 WeakPolarHBondContact OE2-CD 3.31Å; E117-K140 IonicContact OE2-NZ 3.95Å; E117-K140 PolarHBondContact OE2-NZ 3.49Å; L118-K140 CarbonylContact O-C 3.2Å; N119-K140 WeakPolarHBondContact CA-O 3.31Å; C138-K140 PolarHBondContact O-N 3.47Å; C138-K140 VanDerWaalsContact O-N 3.07Å; K140-A142 PolarHBondContact O-N 3.3Å
141L97.6Very high96.2Very high0 Ų034 Ų340%018%0.179CC..  trans-67.9116.1-174.8-158.181.1000110.2L118 L121 L135 C138 T139 I144 L163 L165 L166L118-L141 HydrophobicContact CB-CD1 4.25Å; L118-L141 HydrophobicContact CD2-CD1 3.81Å; L118-L141 HydrophobicContact CG-CD1 3.88Å; L118-L141 WeakPolarHBondContact O-CA 3.49Å; L118-L141 PolarHBondContact O-N 2.85Å; L121-L141 HydrophobicContact CB-CD1 4.13Å; L135-L141 HydrophobicContact CD2-CD2 4.29Å; L135-L141 HydrophobicContact CG-CD2 4.25Å; C138-L141 HydrophobicContact CB-CB 4.22Å; C138-L141 HydrophobicContact CB-CD1 4.38Å; C138-L141 WeakPolarHBondContact O-CB 3.5Å; C138-L141 PolarHBondContact O-N 3.42Å; T139-L141 VanDerWaalsContact C-N 3.34Å; L141-I144 HydrophobicContact CD2-CD1 3.41Å; L141-I144 VanDerWaalsContact CD2-CD1 3.41Å; L141-I144 HydrophobicContact CD2-CG1 3.4Å; L141-I144 VanDerWaalsContact CD2-CG1 3.4Å; L141-I144 HydrophobicContact CG-CD1 4.46Å; L141-I144 HydrophobicContact CG-CG1 4Å; L141-L163 HydrophobicContact CB-CD2 4.15Å; L141-L163 HydrophobicContact CD2-CD2 4.5Å; L141-L165 CarbonylContact O-C 3.49Å; L141-L166 VanDerWaalsContact O-CA 3.25Å; L141-L166 WeakPolarHBondContact O-CA 3.3Å; L141-L166 PolarHBondContact O-N 3Å
142A97.5Very high96.2Very high18 Ų1836.6 Ų36.615%0.14920%0.196CC..  trans-107-25.3-179.300000112.8N119 K140 L165 S167 T168N119-A142 PolarHBondContact O-N 2.86Å; N119-A142 VanDerWaalsContact OD1-CB 3.31Å; N119-A142 WeakPolarHBondContact OD1-CB 3.42Å; K140-A142 PolarHBondContact O-N 3.3Å; A142-L165 WeakPolarHBondContact CA-O 3.34Å; A142-S167 PolarHBondContact O-N 3.05Å; A142-S167 PolarHBondContact O-OG 3.41Å; A142-T168 PolarHBondContact O-N 2.91Å; A142-T168 VanDerWaalsContact O-N 3.11Å
143T98.4Very high96.3Very high43 Ų4338.1 Ų38.126%0.26421%0.209SC..EExtended strand (participates in β ladder)trans-138.7125.6-176.2-56.30000111.3N119 T120 L121 T168N119-T143 PolarHBondContact O-N 2.9Å; N119-T143 VanDerWaalsContact O-N 3.09Å; T120-T143 WeakPolarHBondContact CA-O 3.42Å; T120-T143 HydrophobicContact CG2-CG2 4.46Å; L121-T143 PolarHBondContact N-O 3.39Å; T143-T168 WeakPolarHBondContact CA-O 3.45Å; T143-T168 HydrophobicContact CG2-CG2 4.14Å
144I98.4Very high96.4Very high0 Ų034.2 Ų34.20%019%0.187CC..EExtended strand (participates in β ladder)trans-121.3125.6170.6-59.7173.3000108.6L121 L135 L141 V146 L158 L166 T168 L169 V170L121-I144 WeakPolarHBondContact O-CA 3.4Å; L135-I144 HydrophobicContact CD2-CD1 3.98Å; L141-I144 HydrophobicContact CD2-CD1 3.41Å; L141-I144 VanDerWaalsContact CD2-CD1 3.41Å; L141-I144 HydrophobicContact CD2-CG1 3.4Å; L141-I144 VanDerWaalsContact CD2-CG1 3.4Å; L141-I144 HydrophobicContact CG-CD1 4.46Å; L141-I144 HydrophobicContact CG-CG1 4Å; I144-V146 HydrophobicContact CG2-CG1 3.64Å; I144-L158 HydrophobicContact CD1-CD1 3.71Å; I144-L166 HydrophobicContact CD1-CD1 3.92Å; I144-L166 HydrophobicContact CD1-CD2 4.03Å; I144-L166 HydrophobicContact CG1-CD1 3.83Å; I144-T168 PolarHBondContact N-O 2.84Å; I144-L169 HydrophobicContact CB-CD1 3.87Å; I144-L169 HydrophobicContact CD1-CD1 4.38Å; I144-L169 HydrophobicContact CG2-CD1 3.91Å; I144-V170 PolarHBondContact O-N 3.07Å
145N98.4Very high96.4Very high39 Ų3933.9 Ų33.921%0.20918%0.182CC..EExtended strand (participates in β ladder)trans-122.4111.5168.7-171.7-5.1000110.4L121 V123 S124 S147 V170L121-N145 PolarHBondContact O-N 3.21Å; V123-N145 PolarHBondContact N-O 3.5Å; S124-N145 PolarHBondContact N-O 2.73Å; N145-S147 WeakPolarHBondContact OD1-CB 2.98Å; N145-S147 PolarHBondContact OD1-N 3.29Å; N145-S147 VanDerWaalsContact OD1-N 3.08Å; N145-S147 PolarHBondContact OD1-OG 2.98Å; N145-V170 CarbonylContact C-O 3.37Å; N145-V170 WeakPolarHBondContact CA-O 3.49Å; N145-V170 HydrophobicContact CB-CB 4.42Å; N145-V170 PolarHBondContact OD1-O 3.34Å
146V98.3Very high96Very high0 Ų038.6 Ų38.60%021%0.212CC..  trans-121.218.6178.7-610000110.9V123 L131 I144 N149 I151 F154 V170 A171 N174V123-V146 HydrophobicContact CG2-CB 4.23Å; V123-V146 HydrophobicContact CG2-CG1 3.54Å; L131-V146 HydrophobicContact CD1-CG1 4.2Å; L131-V146 HydrophobicContact CD2-CG1 3.78Å; L131-V146 HydrophobicContact CG-CG1 4.44Å; I144-V146 HydrophobicContact CG2-CG1 3.64Å; V146-N149 PolarHBondContact O-ND2 3.44Å; V146-I151 HydrophobicContact CB-CD1 3.74Å; V146-I151 HydrophobicContact CG1-CD1 4.34Å; V146-I151 HydrophobicContact CG2-CD1 3.88Å; V146-F154 HydrophobicContact CG2-CE1 4.5Å; V146-V170 PolarHBondContact N-O 3.12Å; V146-A171 HydrophobicContact CG2-CB 3.47Å; V146-A171 VanDerWaalsContact CG2-CB 3.47Å; V146-N174 PolarHBondContact O-ND2 3.21Å
147S97.7Very high95.9Very high13 Ų1340 Ų409%0.09122%0.219CC..  trans-59.7152.5-178.452.20000112.8S124 C125 N145 N149 V170 S172S124-S147 CarbonylContact C-O 3.51Å; S124-S147 WeakPolarHBondContact CA-O 3.5Å; S124-S147 WeakPolarHBondContact CB-O 3.5Å; S124-S147 WeakPolarHBondContact CB-OG 3.46Å; C125-S147 PolarHBondContact N-O 3.18Å; N145-S147 WeakPolarHBondContact OD1-CB 2.98Å; N145-S147 PolarHBondContact OD1-N 3.29Å; N145-S147 VanDerWaalsContact OD1-N 3.08Å; N145-S147 PolarHBondContact OD1-OG 2.98Å; S147-N149 PolarHBondContact O-ND2 3.34Å; S147-V170 PolarHBondContact N-O 3.12Å; S147-S172 CarbonylContact C-O 3.58Å; S147-S172 WeakPolarHBondContact CA-O 3.42Å; S147-S172 WeakPolarHBondContact CB-O 3.14Å; S147-S172 VanDerWaalsContact CB-OG 3.27Å; S147-S172 WeakPolarHBondContact CB-OG 3.26Å
148K96.8Very high95.8Very high115 Ų11536.3 Ų36.350%0.520%0.202SC..SBendtrans56.857.5178.5-63.3173.6176.3-178.80112.1C125 N126 S172 D173C125-K148 VanDerWaalsContact CA-O 3.23Å; C125-K148 WeakPolarHBondContact CA-O 3.23Å; C125-K148 HydrophobicContact CB-CB 4.47Å; C125-K148 PolarHBondContact N-O 3.43Å; C125-K148 WeakPolarHBondContact SG-CD 3.28Å; N126-K148 PolarHBondContact N-O 3.11Å; N126-K148 VanDerWaalsContact N-O 3.16Å; K148-S172 PolarHBondContact N-O 2.84Å; K148-D173 WeakPolarHBondContact CA-O 3.32Å; K148-D173 HydrophobicContact CB-CB 4.41Å; K148-D173 HydrophobicContact CG-CB 3.63Å; K148-D173 PolarHBondContact N-O 3.45Å
149N98.3Very high95.7Very high12 Ų1236.5 Ų36.56%0.06420%0.203CC..SBendtrans-130.8-167.9174.3-84.2-75.4000109.5V123 N126 C127 L128 V146 S147 I151 D173 N174V123-N149 PolarHBondContact O-ND2 3.35Å; N126-N149 VanDerWaalsContact CA-OD1 3.26Å; N126-N149 WeakPolarHBondContact CA-OD1 3.4Å; N126-N149 WeakPolarHBondContact CB-OD1 3.43Å; N126-N149 PolarHBondContact N-OD1 3.39Å; N126-N149 PolarHBondContact O-OD1 3.32Å; C127-N149 PolarHBondContact N-OD1 3.15Å; L128-N149 HydrophobicContact CB-CB 4.19Å; L128-N149 VanDerWaalsContact CB-OD1 3.28Å; L128-N149 WeakPolarHBondContact CB-OD1 3.12Å; L128-N149 WeakPolarHBondContact CG-OD1 3.21Å; L128-N149 PolarHBondContact N-OD1 3.41Å; V146-N149 PolarHBondContact O-ND2 3.44Å; S147-N149 PolarHBondContact O-ND2 3.34Å; N149-I151 HydrophobicContact CB-CD1 4.27Å; N149-I151 HydrophobicContact CB-CG1 4.11Å; N149-D173 PolarHBondContact N-O 3Å; N149-N174 VanDerWaalsContact CA-OD1 3.3Å; N149-N174 WeakPolarHBondContact CA-OD1 3.44Å; N149-N174 WeakPolarHBondContact CB-OD1 3.43Å; N149-N174 PolarHBondContact N-OD1 3.24Å; N149-N174 PolarHBondContact O-OD1 3.28Å
150Q97.7Very high95.5Very high103 Ų10335.3 Ų35.348%0.48120%0.197SC..  trans-114.224.8179.5-60.3179.39700111.9C127 L128 T152 N174C127-Q150 PolarHBondContact O-NE2 3.39Å; C127-Q150 VanDerWaalsContact O-NE2 3.12Å; L128-Q150 CarbonylContact O-C 3.22Å; L128-Q150 VanDerWaalsContact O-CA 3.25Å; L128-Q150 WeakPolarHBondContact O-CA 3.4Å; L128-Q150 WeakPolarHBondContact O-CB 3.28Å; L128-Q150 PolarHBondContact O-N 3.16Å; Q150-T152 PolarHBondContact O-N 3.48Å; Q150-N174 PolarHBondContact N-OD1 3.2Å
151I97.9Very high95.2Very high0 Ų038.1 Ų38.10%021%0.211CC..  trans-66.2130.3-174.1-61.3170.9000109.7L128 E129 L131 V146 N149 A153 N174 S175 I176L128-I151 HydrophobicContact CB-CG1 4.4Å; L128-I151 PolarHBondContact O-N 3.48Å; L128-I151 VanDerWaalsContact O-N 3.17Å; E129-I151 WeakPolarHBondContact O-CA 3.5Å; L131-I151 HydrophobicContact CG-CD1 4.28Å; V146-I151 HydrophobicContact CB-CD1 3.74Å; V146-I151 HydrophobicContact CG1-CD1 4.34Å; V146-I151 HydrophobicContact CG2-CD1 3.88Å; N149-I151 HydrophobicContact CB-CD1 4.27Å; N149-I151 HydrophobicContact CB-CG1 4.11Å; I151-A153 WeakPolarHBondContact CG2-O 3.31Å; I151-N174 HydrophobicContact CB-CB 4.5Å; I151-N174 WeakPolarHBondContact CB-OD1 3.33Å; I151-N174 PolarHBondContact N-OD1 3.01Å; I151-S175 CarbonylContact O-C 3.29Å; I151-S175 VanDerWaalsContact O-CA 3.25Å; I151-S175 WeakPolarHBondContact O-CA 3.36Å; I151-S175 PolarHBondContact O-N 3.33Å; I151-I176 HydrophobicContact CG2-CG1 4.2Å; I151-I176 PolarHBondContact O-N 2.99Å
152T96.2Very high95Very high70 Ų7044.6 Ų44.643%0.42924%0.236SC..  trans-101.4-27-178.557.40000114Q150 I176 Q177Q150-T152 PolarHBondContact O-N 3.48Å; T152-I176 WeakPolarHBondContact O-CA 3.4Å; T152-Q177 PolarHBondContact O-N 3.31Å; T152-Q177 VanDerWaalsContact O-N 3.09Å
153A95.4Very high94.8Very high41 Ų4143.7 Ų43.734%0.33923%0.228SC..SBendtrans-153.2156.6175.900000110.1I151I151-A153 WeakPolarHBondContact CG2-O 3.31Å
154F95.8Very high94.5Very high21 Ų2145.6 Ų45.69%0.09224%0.237CC..  trans-84.8147.2168.6-67.8-65.2000110.3L131 V146 L158 F159 L169 A171 I176 L179 V194L131-F154 HydrophobicContact CD1-CD1 4.36Å; V146-F154 HydrophobicContact CG2-CE1 4.5Å; F154-L158 HydrophobicContact CB-CD2 3.85Å; F154-L158 HydrophobicContact CD1-CD2 3.32Å; F154-L158 HydrophobicContact CE1-CD2 3.97Å; F154-L158 HydrophobicContact CG-CD2 3.72Å; F154-F159 HydrophobicContact CB-CE2 3.88Å; F154-F159 HydrophobicContact CB-CZ 3.99Å; F154-F159 HydrophobicContact CD2-CE2 4.26Å; F154-F159 AromaticContact CD2-CZ 3.68Å; F154-F159 HydrophobicContact CD2-CZ 3.68Å; F154-F159 HydrophobicContact CE2-CZ 4.38Å; F154-F159 HydrophobicContact CG-CE2 4.38Å; F154-F159 HydrophobicContact CG-CZ 4Å; F154-L169 HydrophobicContact CE1-CD1 4.45Å; F154-L169 HydrophobicContact CZ-CD2 4.23Å; F154-A171 HydrophobicContact CE1-CB 4.02Å; F154-A171 HydrophobicContact CZ-CB 3.58Å; F154-I176 HydrophobicContact CD2-CG2 4.46Å; F154-I176 HydrophobicContact CE1-CD1 4.13Å; F154-I176 HydrophobicContact CE2-CD1 3.71Å; F154-I176 HydrophobicContact CE2-CG2 4.32Å; F154-I176 HydrophobicContact CZ-CD1 3.49Å; F154-I176 VanDerWaalsContact CZ-CD1 3.49Å; F154-L179 HydrophobicContact CD2-CD1 4.2Å; F154-L179 HydrophobicContact CE2-CD1 4.05Å; F154-V194 HydrophobicContact CE2-CG1 4.42Å; F154-V194 HydrophobicContact CZ-CG1 4.46Å
155P92.7Very high94.4Very high10 Ų1049.6 Ų49.67%0.06526%0.258CS..  trans-66.3141.7173.128.1-31.8000109.4L131 D157 L158L131-P155 HydrophobicContact CB-CG 4.01Å; P155-D157 PolarHBondContact O-N 3.04Å; P155-D157 VanDerWaalsContact O-N 3.13Å; P155-L158 HydrophobicContact CG-CB 4.15Å; P155-L158 VanDerWaalsContact O-CB 3.25Å; P155-L158 WeakPolarHBondContact O-CB 3.32Å; P155-L158 PolarHBondContact O-N 3.47Å
156P83.9Confident94.4Very high98 Ų9847.8 Ų47.864%0.63625%0.248SC*.G310 helixtrans-56.4-33.9-174.3-25.232.8000113.4L158P156-L158 VanDerWaalsContact C-N 3.25Å; P156-L158 PolarHBondContact O-N 2.89Å
157D90.8Very high94.3Very high36 Ų3648.8 Ų48.819%0.19326%0.255CS..G310 helixtrans-74.6-12.2-177.979.5-48.8000113.6G134 L135 S136 P155 F159 S160G134-D157 VanDerWaalsContact C-OD2 3.29Å; G134-D157 WeakPolarHBondContact CA-OD2 3.45Å; G134-D157 PolarHBondContact N-OD2 3.48Å; L135-D157 PolarHBondContact N-OD2 3.27Å; S136-D157 WeakPolarHBondContact CB-O 3.43Å; S136-D157 WeakPolarHBondContact CB-OD2 3.42Å; S136-D157 PolarHBondContact N-OD2 3.28Å; S136-D157 PolarHBondContact OG-OD2 3.06Å; P155-D157 PolarHBondContact O-N 3.04Å; P155-D157 VanDerWaalsContact O-N 3.13Å; D157-F159 PolarHBondContact O-N 3.07Å; D157-S160 WeakPolarHBondContact O-CB 3.47Å; D157-S160 PolarHBondContact O-N 3.43Å
158L93.4Very high94.3Very high0 Ų049.7 Ų49.70%026%0.26CS..G310 helixtrans-59.9-28.5175.1-173.264.6000112.5L131 L135 I144 F154 P155 P156 S160 L163 L169L131-L158 HydrophobicContact CD1-CD2 4.39Å; L135-L158 HydrophobicContact CD2-CD1 3.95Å; I144-L158 HydrophobicContact CD1-CD1 3.71Å; F154-L158 HydrophobicContact CB-CD2 3.85Å; F154-L158 HydrophobicContact CD1-CD2 3.32Å; F154-L158 HydrophobicContact CE1-CD2 3.97Å; F154-L158 HydrophobicContact CG-CD2 3.72Å; P155-L158 HydrophobicContact CG-CB 4.15Å; P155-L158 VanDerWaalsContact O-CB 3.25Å; P155-L158 WeakPolarHBondContact O-CB 3.32Å; P155-L158 PolarHBondContact O-N 3.47Å; P156-L158 VanDerWaalsContact C-N 3.25Å; P156-L158 PolarHBondContact O-N 2.89Å; L158-S160 VanDerWaalsContact C-N 3.32Å; L158-L163 HydrophobicContact CD1-CD1 4.18Å; L158-L163 VanDerWaalsContact O-CD1 3.31Å; L158-L163 WeakPolarHBondContact O-CD1 3.49Å; L158-L169 HydrophobicContact CD2-CD2 4.45Å
159F92.7Very high94.4Very high4 Ų444.2 Ų44.22%0.01824%0.237CC..G310 helixtrans-9723.1178.5-52.9-62.2000112.5F154 D157 L169 L179 E182 I183 K185 L186F154-F159 HydrophobicContact CB-CE2 3.88Å; F154-F159 HydrophobicContact CB-CZ 3.99Å; F154-F159 HydrophobicContact CD2-CE2 4.26Å; F154-F159 AromaticContact CD2-CZ 3.68Å; F154-F159 HydrophobicContact CD2-CZ 3.68Å; F154-F159 HydrophobicContact CE2-CZ 4.38Å; F154-F159 HydrophobicContact CG-CE2 4.38Å; F154-F159 HydrophobicContact CG-CZ 4Å; D157-F159 PolarHBondContact O-N 3.07Å; F159-L169 HydrophobicContact CE1-CD2 4.44Å; F159-L179 HydrophobicContact CZ-CD1 3.96Å; F159-E182 HydrophobicContact CB-CB 3.82Å; F159-I183 HydrophobicContact CD1-CB 3.91Å; F159-I183 HydrophobicContact CD1-CG1 3.98Å; F159-I183 HydrophobicContact CE1-CB 4.02Å; F159-I183 HydrophobicContact CE1-CD1 3.93Å; F159-I183 HydrophobicContact CE1-CG1 3.89Å; F159-K185 WeakPolarHBondContact O-CB 3.42Å; F159-K185 WeakPolarHBondContact O-CD 3.28Å; F159-L186 HydrophobicContact CD1-CD1 3.83Å; F159-L186 HydrophobicContact CD1-CG 4.36Å; F159-L186 HydrophobicContact CE1-CD1 4.38Å
160S90.9Very high94.4Very high33 Ų3345 Ų4523%0.23124%0.242CC..  trans-71.5147.1175.8-174.80000112.5D157 L158 R162 L163D157-S160 WeakPolarHBondContact O-CB 3.47Å; D157-S160 PolarHBondContact O-N 3.43Å; L158-S160 VanDerWaalsContact C-N 3.32Å; S160-R162 PolarHBondContact O-N 3.07Å; S160-R162 VanDerWaalsContact O-N 3.07Å; S160-R162 PolarHBondContact OG-N 3.25Å; S160-L163 PolarHBondContact O-N 2.84Å; S160-L163 VanDerWaalsContact O-N 3.14Å
161E90.7Very high94.4Very high145 Ų14540.1 Ų40.168%0.67822%0.219SC*.THydrogen-bonded Turntrans-60.6-15.4172.1-63.5179.217800113.5L163 K185E161-L163 PolarHBondContact O-N 3.47Å; E161-K185 HydrophobicContact CG-CB 4.12Å; E161-K185 HydrophobicContact CG-CD 4.41Å; E161-K185 HydrophobicContact CG-CG 4.4Å
162R92.7Very high94.4Very high135 Ų13540.8 Ų40.851%0.50922%0.223SC..THydrogen-bonded Turntrans-66-22.1175.1-64.9-177-175.8-164.44.7113.5S160 D164S160-R162 PolarHBondContact O-N 3.07Å; S160-R162 VanDerWaalsContact O-N 3.07Å; S160-R162 PolarHBondContact OG-N 3.25Å; R162-D164 PolarHBondContact O-N 3.04Å
163L93.7Very high94.5Very high0 Ų040.3 Ų40.30%022%0.218CC..  trans-9352.4177.3-68.4176.2000110.5C138 L141 L158 S160 E161 L165 L166 L186C138-L163 VanDerWaalsContact O-CD2 3.28Å; C138-L163 WeakPolarHBondContact O-CD2 3.49Å; L141-L163 HydrophobicContact CB-CD2 4.15Å; L141-L163 HydrophobicContact CD2-CD2 4.5Å; L158-L163 HydrophobicContact CD1-CD1 4.18Å; L158-L163 VanDerWaalsContact O-CD1 3.31Å; L158-L163 WeakPolarHBondContact O-CD1 3.49Å; S160-L163 PolarHBondContact O-N 2.84Å; S160-L163 VanDerWaalsContact O-N 3.14Å; E161-L163 PolarHBondContact O-N 3.47Å; L163-L165 PolarHBondContact O-N 2.94Å; L163-L166 HydrophobicContact CB-CB 4.11Å; L163-L166 HydrophobicContact CD1-CD2 4.38Å; L163-L166 PolarHBondContact O-N 3.45Å; L163-L186 HydrophobicContact CB-CD2 4.02Å
164D92.2Very high94.7Very high82 Ų8238.9 Ų38.944%0.43921%0.205SC..THydrogen-bonded Turntrans-68.6-14.6-176.668.4-25.7000113.7R162 A188R162-D164 PolarHBondContact O-N 3.04Å; D164-A188 WeakPolarHBondContact O-CB 3.45Å
165L96.1Very high94.7Very high85 Ų8539.3 Ų39.345%0.44521%0.21SC..THydrogen-bonded Turntrans-98.8-10176.3-64.9176.9000114L141 A142 L163 S167L141-L165 CarbonylContact O-C 3.49Å; A142-L165 WeakPolarHBondContact CA-O 3.34Å; L163-L165 PolarHBondContact O-N 2.94Å; L165-S167 PolarHBondContact O-N 3.18Å
166L97.6Very high95Very high0 Ų038.8 Ų38.80%021%0.207CC..  trans-64.9110.5-176.5-176.361.4000110.2L141 I144 L163 L186 A188 L189L141-L166 VanDerWaalsContact O-CA 3.25Å; L141-L166 WeakPolarHBondContact O-CA 3.3Å; L141-L166 PolarHBondContact O-N 3Å; I144-L166 HydrophobicContact CD1-CD1 3.92Å; I144-L166 HydrophobicContact CD1-CD2 4.03Å; I144-L166 HydrophobicContact CG1-CD1 3.83Å; L163-L166 HydrophobicContact CB-CB 4.11Å; L163-L166 HydrophobicContact CD1-CD2 4.38Å; L163-L166 PolarHBondContact O-N 3.45Å; L166-L186 HydrophobicContact CD2-CD1 3.92Å; L166-L186 HydrophobicContact CD2-CD2 4.29Å; L166-A188 CarbonylContact O-C 3.44Å; L166-A188 VanDerWaalsContact O-C 3.22Å; L166-L189 WeakPolarHBondContact O-CA 3.4Å; L166-L189 PolarHBondContact O-N 3.12Å; L166-L189 VanDerWaalsContact O-N 3.11Å
167S97.4Very high95.6Very high22 Ų2239.8 Ų39.815%0.15420%0.203CC..  trans-111.1-26.5-171.673.30000113.3A142 L165 A188 K190 V191A142-S167 PolarHBondContact O-N 3.05Å; A142-S167 PolarHBondContact O-OG 3.41Å; L165-S167 PolarHBondContact O-N 3.18Å; S167-A188 WeakPolarHBondContact CA-O 3.42Å; S167-K190 WeakPolarHBondContact O-CA 3.41Å; S167-K190 PolarHBondContact O-N 3.05Å; S167-V191 PolarHBondContact O-N 2.79Å
168T98.3Very high95.7Very high32 Ų3244.7 Ų44.720%0.19623%0.225CC..EExtended strand (participates in β ladder)trans-136.2118.8-175.2-58.80000109.5A142 T143 I144 V170 V191A142-T168 PolarHBondContact O-N 2.91Å; A142-T168 VanDerWaalsContact O-N 3.11Å; T143-T168 WeakPolarHBondContact CA-O 3.45Å; T143-T168 HydrophobicContact CG2-CG2 4.14Å; I144-T168 PolarHBondContact N-O 2.84Å; T168-V170 HydrophobicContact CG2-CG2 3.89Å; T168-V191 WeakPolarHBondContact CA-O 3.26Å; T168-V191 HydrophobicContact CG2-CB 4.16Å; T168-V191 HydrophobicContact CG2-CG1 4.4Å
169L98.2Very high95.8Very high0 Ų045.3 Ų45.30%023%0.229CC..EExtended strand (participates in β ladder)trans-122.5112.8172.4177.159.4000109I144 F154 L158 F159 L189 V191 L192 D193I144-L169 HydrophobicContact CB-CD1 3.87Å; I144-L169 HydrophobicContact CD1-CD1 4.38Å; I144-L169 HydrophobicContact CG2-CD1 3.91Å; F154-L169 HydrophobicContact CE1-CD1 4.45Å; F154-L169 HydrophobicContact CZ-CD2 4.23Å; L158-L169 HydrophobicContact CD2-CD2 4.45Å; F159-L169 HydrophobicContact CE1-CD2 4.44Å; L169-L189 HydrophobicContact CB-CD1 4.1Å; L169-V191 PolarHBondContact N-O 3.45Å; L169-L192 HydrophobicContact CB-CD1 4.14Å; L169-L192 HydrophobicContact CD2-CD1 3.9Å; L169-L192 HydrophobicContact CG-CD1 4.1Å; L169-L192 WeakPolarHBondContact O-CA 3.36Å; L169-D193 PolarHBondContact O-N 3.14Å
170V98.4Very high95.8Very high29 Ų2947.4 Ų47.418%0.17624%0.244CC..EExtended strand (participates in β ladder)trans-116.5113.1178.6-179.30000108.8I144 N145 V146 S147 T168 D193I144-V170 PolarHBondContact O-N 3.07Å; N145-V170 CarbonylContact C-O 3.37Å; N145-V170 WeakPolarHBondContact CA-O 3.49Å; N145-V170 HydrophobicContact CB-CB 4.42Å; N145-V170 PolarHBondContact OD1-O 3.34Å; V146-V170 PolarHBondContact N-O 3.12Å; S147-V170 PolarHBondContact N-O 3.12Å; T168-V170 HydrophobicContact CG2-CG2 3.89Å; V170-D193 HydrophobicContact CG1-CB 4.21Å; V170-D193 HydrophobicContact CG2-CB 4.45Å
171A98.1Very high95.7Very high0 Ų047 Ų470%024%0.244CC..  trans-136.332.5-178.300000111.7V146 F154 N174 I176 D193 V194 N197V146-A171 HydrophobicContact CG2-CB 3.47Å; V146-A171 VanDerWaalsContact CG2-CB 3.47Å; F154-A171 HydrophobicContact CE1-CB 4.02Å; F154-A171 HydrophobicContact CZ-CB 3.58Å; A171-N174 PolarHBondContact O-ND2 2.98Å; A171-I176 HydrophobicContact CB-CD1 3.85Å; A171-D193 CarbonylContact C-O 3.04Å; A171-D193 WeakPolarHBondContact CA-O 3.49Å; A171-D193 PolarHBondContact N-O 2.93Å; A171-V194 HydrophobicContact CB-CG1 4.29Å; A171-N197 PolarHBondContact O-ND2 3.22Å
172S97.9Very high95.7Very high13 Ų1343.5 Ų43.59%0.09123%0.228CC..  trans-62.3156.3174.948.20000112.6S147 K148 N174 D193 S195S147-S172 CarbonylContact C-O 3.58Å; S147-S172 WeakPolarHBondContact CA-O 3.42Å; S147-S172 WeakPolarHBondContact CB-O 3.14Å; S147-S172 VanDerWaalsContact CB-OG 3.27Å; S147-S172 WeakPolarHBondContact CB-OG 3.26Å; K148-S172 PolarHBondContact N-O 2.84Å; S172-N174 PolarHBondContact O-ND2 2.9Å; S172-N174 VanDerWaalsContact O-ND2 3.14Å; S172-D193 PolarHBondContact N-O 2.93Å; S172-S195 CarbonylContact C-O 3.48Å; S172-S195 WeakPolarHBondContact CA-O 3.5Å; S172-S195 VanDerWaalsContact CB-OG 3.29Å; S172-S195 WeakPolarHBondContact CB-OG 3.44Å
173D97.9Very high95.8Very high61 Ų6137.1 Ų37.133%0.32620%0.204SC..SBendtrans55.155.6177.4-57.5-60000112.2K148 N149 S195 N196K148-D173 WeakPolarHBondContact CA-O 3.32Å; K148-D173 HydrophobicContact CB-CB 4.41Å; K148-D173 HydrophobicContact CG-CB 3.63Å; K148-D173 PolarHBondContact N-O 3.45Å; N149-D173 PolarHBondContact N-O 3Å; D173-S195 PolarHBondContact N-O 3.13Å; D173-N196 WeakPolarHBondContact CA-O 3.45Å; D173-N196 WeakPolarHBondContact OD1-CB 3.4Å; D173-N196 PolarHBondContact OD1-ND2 3.02Å
174N98.4Very high95.6Very high10 Ų1039.1 Ų39.15%0.05322%0.217CC..SBendtrans-127.5-168.8176.3-88.3-82000110.1V146 N149 Q150 I151 A171 S172 I176 N196 N197V146-N174 PolarHBondContact O-ND2 3.21Å; N149-N174 VanDerWaalsContact CA-OD1 3.3Å; N149-N174 WeakPolarHBondContact CA-OD1 3.44Å; N149-N174 WeakPolarHBondContact CB-OD1 3.43Å; N149-N174 PolarHBondContact N-OD1 3.24Å; N149-N174 PolarHBondContact O-OD1 3.28Å; Q150-N174 PolarHBondContact N-OD1 3.2Å; I151-N174 HydrophobicContact CB-CB 4.5Å; I151-N174 WeakPolarHBondContact CB-OD1 3.33Å; I151-N174 PolarHBondContact N-OD1 3.01Å; A171-N174 PolarHBondContact O-ND2 2.98Å; S172-N174 PolarHBondContact O-ND2 2.9Å; S172-N174 VanDerWaalsContact O-ND2 3.14Å; N174-I176 HydrophobicContact CB-CD1 4.08Å; N174-I176 HydrophobicContact CB-CG1 4.05Å; N174-N196 PolarHBondContact N-O 3.1Å; N174-N197 VanDerWaalsContact CA-OD1 3.26Å; N174-N197 WeakPolarHBondContact CA-OD1 3.46Å; N174-N197 WeakPolarHBondContact CB-OD1 3.23Å; N174-N197 PolarHBondContact N-OD1 3.36Å; N174-N197 PolarHBondContact O-OD1 3.29Å
175S97.7Very high95.6Very high30 Ų3039 Ų3921%0.2121%0.213CC..  trans-113.427.5175.7-78.10000112.9I151 Q177 N197 K198I151-S175 CarbonylContact O-C 3.29Å; I151-S175 VanDerWaalsContact O-CA 3.25Å; I151-S175 WeakPolarHBondContact O-CA 3.36Å; I151-S175 PolarHBondContact O-N 3.33Å; S175-Q177 PolarHBondContact O-N 3Å; S175-N197 PolarHBondContact N-OD1 3.32Å; S175-K198 WeakPolarHBondContact OG-CE 3.4Å; S175-K198 PolarHBondContact OG-NZ 2.97Å
176I97.8Very high95.6Very high0 Ų035 Ų350%019%0.192CC..  trans-65.3124.4-174.3-59.1161.3000109.6I151 T152 F154 A171 N174 E178 N197 K198 L199I151-I176 HydrophobicContact CG2-CG1 4.2Å; I151-I176 PolarHBondContact O-N 2.99Å; T152-I176 WeakPolarHBondContact O-CA 3.4Å; F154-I176 HydrophobicContact CD2-CG2 4.46Å; F154-I176 HydrophobicContact CE1-CD1 4.13Å; F154-I176 HydrophobicContact CE2-CD1 3.71Å; F154-I176 HydrophobicContact CE2-CG2 4.32Å; F154-I176 HydrophobicContact CZ-CD1 3.49Å; F154-I176 VanDerWaalsContact CZ-CD1 3.49Å; A171-I176 HydrophobicContact CB-CD1 3.85Å; N174-I176 HydrophobicContact CB-CD1 4.08Å; N174-I176 HydrophobicContact CB-CG1 4.05Å; I176-E178 VanDerWaalsContact CG2-O 3.25Å; I176-E178 WeakPolarHBondContact CG2-O 3.49Å; I176-N197 HydrophobicContact CB-CB 4.25Å; I176-N197 VanDerWaalsContact CB-OD1 3.27Å; I176-N197 WeakPolarHBondContact CB-OD1 3.4Å; I176-N197 WeakPolarHBondContact CG1-OD1 3.45Å; I176-N197 PolarHBondContact N-OD1 3.02Å; I176-K198 CarbonylContact O-C 3.54Å; I176-K198 VanDerWaalsContact O-CA 3.3Å; I176-K198 WeakPolarHBondContact O-CA 3.48Å; I176-K198 PolarHBondContact O-N 3.34Å; I176-L199 HydrophobicContact CG2-CD2 3.9Å; I176-L199 PolarHBondContact O-N 2.92Å
177Q95.8Very high95.3Very high118 Ų11837.5 Ų37.555%0.55121%0.209SC*.  trans-95.4-32.2-174.3-61.1-178.243.700113T152 S175 K198T152-Q177 PolarHBondContact O-N 3.31Å; T152-Q177 VanDerWaalsContact O-N 3.09Å; S175-Q177 PolarHBondContact O-N 3Å; Q177-K198 HydrophobicContact CG-CB 4.35Å
178E94.4Very high95.3Very high140 Ų14036.9 Ų36.965%0.65421%0.206SC*.  trans-138.2151.9-178.663.4-178.3-169.700111.5I176I176-E178 VanDerWaalsContact CG2-O 3.25Å; I176-E178 WeakPolarHBondContact CG2-O 3.49Å
179L94.8Very high95.2Very high13 Ų1335.4 Ų35.47%0.06820%0.197CC..  trans-120.3118.9172.2-174.565.8000107.8F154 F159 I183 L192 L199 P203 F217F154-L179 HydrophobicContact CD2-CD1 4.2Å; F154-L179 HydrophobicContact CE2-CD1 4.05Å; F159-L179 HydrophobicContact CZ-CD1 3.96Å; L179-I183 HydrophobicContact CD1-CD1 4Å; L179-I183 HydrophobicContact CD2-CD1 4.13Å; L179-I183 HydrophobicContact CG-CD1 4.35Å; L179-L192 HydrophobicContact CD2-CD2 4.21Å; L179-L199 HydrophobicContact CB-CD2 4.17Å; L179-P203 HydrophobicContact CB-CG 4.42Å; L179-P203 HydrophobicContact CD2-CG 4.31Å; L179-P203 HydrophobicContact CG-CG 4.28Å; L179-P203 WeakPolarHBondContact O-CG 3.4Å; L179-F217 HydrophobicContact CD2-CE1 3.96Å; L179-F217 HydrophobicContact CD2-CZ 4.15Å
180S92.3Very high95.1Very high48 Ų4839.8 Ų39.834%0.33622%0.216SC..  trans-63.4140.4179.8179.50000111.4E182 I183S180-E182 PolarHBondContact O-N 3.17Å; S180-E182 WeakPolarHBondContact OG-CB 3.21Å; S180-E182 WeakPolarHBondContact OG-CG 3.25Å; S180-E182 PolarHBondContact OG-N 2.86Å; S180-I183 WeakPolarHBondContact O-CG2 3.21Å; S180-I183 PolarHBondContact O-N 3.16Å
181G88.8Confident95.1Very high23 Ų2340.2 Ų40.224%0.23722%0.218CC..G310 helixtrans-62.7-18.7171.600000113.2I183 C184 D205G181-I183 PolarHBondContact O-N 2.9Å; G181-I183 VanDerWaalsContact O-N 3.07Å; G181-C184 PolarHBondContact O-N 2.9Å; G181-C184 PolarHBondContact O-SG 3.42Å; G181-D205 WeakPolarHBondContact O-CB 3.45Å
182E92.1Very high95.1Very high73 Ų7340.2 Ų40.234%0.34122%0.218SC..G310 helixtrans-64.4-11176.3-61.9-166.6124.900113.9F159 S180 C184 K185F159-E182 HydrophobicContact CB-CB 3.82Å; S180-E182 PolarHBondContact O-N 3.17Å; S180-E182 WeakPolarHBondContact OG-CB 3.21Å; S180-E182 WeakPolarHBondContact OG-CG 3.25Å; S180-E182 PolarHBondContact OG-N 2.86Å; E182-C184 PolarHBondContact O-N 3.41Å; E182-K185 HydrophobicContact CB-CD 4.22Å; E182-K185 VanDerWaalsContact O-CB 3.25Å; E182-K185 WeakPolarHBondContact O-CB 3.41Å; E182-K185 WeakPolarHBondContact O-CG 3.26Å; E182-K185 PolarHBondContact O-N 2.9Å; E182-K185 IonicContact OE1-NZ 2.88Å; E182-K185 PolarHBondContact OE1-NZ 3.12Å
183I92.9Very high95.1Very high0 Ų041.1 Ų41.10%022%0.222CC..G310 helixtrans-53.4-23.8172.4-166.4161.3000113.2F159 L179 S180 G181 K185 L186 L189 L192 L206 C209F159-I183 HydrophobicContact CD1-CB 3.91Å; F159-I183 HydrophobicContact CD1-CG1 3.98Å; F159-I183 HydrophobicContact CE1-CB 4.02Å; F159-I183 HydrophobicContact CE1-CD1 3.93Å; F159-I183 HydrophobicContact CE1-CG1 3.89Å; L179-I183 HydrophobicContact CD1-CD1 4Å; L179-I183 HydrophobicContact CD2-CD1 4.13Å; L179-I183 HydrophobicContact CG-CD1 4.35Å; S180-I183 WeakPolarHBondContact O-CG2 3.21Å; S180-I183 PolarHBondContact O-N 3.16Å; G181-I183 PolarHBondContact O-N 2.9Å; G181-I183 VanDerWaalsContact O-N 3.07Å; I183-K185 PolarHBondContact O-N 3.36Å; I183-L186 HydrophobicContact CG1-CD1 4.29Å; I183-L186 WeakPolarHBondContact O-CB 3.4Å; I183-L186 PolarHBondContact O-N 3.32Å; I183-L189 HydrophobicContact CD1-CD2 4Å; I183-L189 HydrophobicContact CG1-CD2 3.89Å; I183-L192 HydrophobicContact CD1-CD1 3.99Å; I183-L192 HydrophobicContact CD1-CD2 3.54Å; I183-L192 HydrophobicContact CD1-CG 4.4Å; I183-L206 HydrophobicContact CD1-CD1 3.98Å; I183-L206 HydrophobicContact CG1-CD1 4.27Å; I183-L206 HydrophobicContact CG2-CB 4.37Å; I183-L206 HydrophobicContact CG2-CD1 3.74Å; I183-C209 PolarHBondContact O-SG 2.94Å
184C90.6Very high95.1Very high42 Ų4238.2 Ų38.228%0.28421%0.207SC..G310 helixtrans-59.4-25.7173.169.80000113.9G181 E182 L186 D205 C209G181-C184 PolarHBondContact O-N 2.9Å; G181-C184 PolarHBondContact O-SG 3.42Å; E182-C184 PolarHBondContact O-N 3.41Å; C184-L186 PolarHBondContact O-N 3.34Å; C184-D205 HydrophobicContact CB-CB 4.17Å; C184-D205 VanDerWaalsContact CB-O 3.29Å; C184-D205 WeakPolarHBondContact CB-O 3.35Å; C184-C209 VanDerWaalsContact CA-SG 3.59Å
185K93Very high95.1Very high80 Ų8038.2 Ų38.235%0.34821%0.207SC..G310 helixtrans-69.1-20178.2-64.1175.9179.1173.50113F159 E161 E182 I183 S187F159-K185 WeakPolarHBondContact O-CB 3.42Å; F159-K185 WeakPolarHBondContact O-CD 3.28Å; E161-K185 HydrophobicContact CG-CB 4.12Å; E161-K185 HydrophobicContact CG-CD 4.41Å; E161-K185 HydrophobicContact CG-CG 4.4Å; E182-K185 HydrophobicContact CB-CD 4.22Å; E182-K185 VanDerWaalsContact O-CB 3.25Å; E182-K185 WeakPolarHBondContact O-CB 3.41Å; E182-K185 WeakPolarHBondContact O-CG 3.26Å; E182-K185 PolarHBondContact O-N 2.9Å; E182-K185 IonicContact OE1-NZ 2.88Å; E182-K185 PolarHBondContact OE1-NZ 3.12Å; I183-K185 PolarHBondContact O-N 3.36Å; K185-S187 VanDerWaalsContact C-N 3.33Å; K185-S187 PolarHBondContact O-N 2.95Å
186L94.4Very high95Very high1 Ų140.5 Ų40.51%0.00522%0.217CC..  trans-75.382.5177.2-61-178.3000111.1F159 L163 L166 I183 C184 A188 L189F159-L186 HydrophobicContact CD1-CD1 3.83Å; F159-L186 HydrophobicContact CD1-CG 4.36Å; F159-L186 HydrophobicContact CE1-CD1 4.38Å; L163-L186 HydrophobicContact CB-CD2 4.02Å; L166-L186 HydrophobicContact CD2-CD1 3.92Å; L166-L186 HydrophobicContact CD2-CD2 4.29Å; I183-L186 HydrophobicContact CG1-CD1 4.29Å; I183-L186 WeakPolarHBondContact O-CB 3.4Å; I183-L186 PolarHBondContact O-N 3.32Å; C184-L186 PolarHBondContact O-N 3.34Å; L186-A188 PolarHBondContact O-N 2.86Å; L186-A188 VanDerWaalsContact O-N 3.15Å; L186-L189 HydrophobicContact CB-CB 3.89Å; L186-L189 HydrophobicContact CB-CD2 4.48Å; L186-L189 HydrophobicContact CD1-CD2 4.2Å; L186-L189 WeakPolarHBondContact O-CB 3.41Å; L186-L189 PolarHBondContact O-N 3.02Å; L186-L189 VanDerWaalsContact O-N 3.14Å
187S92.4Very high95.1Very high52 Ų5240.9 Ų40.936%0.36422%0.219SC..THydrogen-bonded Turntrans-64-20.4-172.272.70000115.1K185 K211K185-S187 VanDerWaalsContact C-N 3.33Å; K185-S187 PolarHBondContact O-N 2.95Å; S187-K211 WeakPolarHBondContact O-CD 3.41Å
188A96.1Very high95.1Very high10 Ų1041 Ų418%0.08322%0.218CC..THydrogen-bonded Turntrans-98-6177.500000115D164 L166 S167 L186 K190D164-A188 WeakPolarHBondContact O-CB 3.45Å; L166-A188 CarbonylContact O-C 3.44Å; L166-A188 VanDerWaalsContact O-C 3.22Å; S167-A188 WeakPolarHBondContact CA-O 3.42Å; L186-A188 PolarHBondContact O-N 2.86Å; L186-A188 VanDerWaalsContact O-N 3.15Å; A188-K190 WeakPolarHBondContact O-CG 2.74Å; A188-K190 PolarHBondContact O-N 3.15Å
189L97.4Very high95.3Very high0 Ų034.4 Ų34.40%019%0.187CC..  trans-62.7122.5-172.9-169.668.3000110.8L166 L169 I183 L186 L192 K211 L212L166-L189 WeakPolarHBondContact O-CA 3.4Å; L166-L189 PolarHBondContact O-N 3.12Å; L166-L189 VanDerWaalsContact O-N 3.11Å; L169-L189 HydrophobicContact CB-CD1 4.1Å; I183-L189 HydrophobicContact CD1-CD2 4Å; I183-L189 HydrophobicContact CG1-CD2 3.89Å; L186-L189 HydrophobicContact CB-CB 3.89Å; L186-L189 HydrophobicContact CB-CD2 4.48Å; L186-L189 HydrophobicContact CD1-CD2 4.2Å; L186-L189 WeakPolarHBondContact O-CB 3.41Å; L186-L189 PolarHBondContact O-N 3.02Å; L186-L189 VanDerWaalsContact O-N 3.14Å; L189-L192 HydrophobicContact CD2-CB 4.38Å; L189-K211 CarbonylContact O-C 3.43Å; L189-L212 HydrophobicContact CD2-CD1 4.11Å; L189-L212 HydrophobicContact CG-CD1 4.05Å; L189-L212 VanDerWaalsContact O-CA 3.31Å; L189-L212 WeakPolarHBondContact O-CA 3.38Å; L189-L212 PolarHBondContact O-N 3.3Å; L189-L212 VanDerWaalsContact O-N 3.09Å
190K96.9Very high95.3Very high92 Ų9236.8 Ų36.840%0.421%0.205SC..  trans-113.7-39.4-179.5-68.9167-168.4167.70111.9S167 A188 K211 K213 E214S167-K190 WeakPolarHBondContact O-CA 3.41Å; S167-K190 PolarHBondContact O-N 3.05Å; A188-K190 WeakPolarHBondContact O-CG 2.74Å; A188-K190 PolarHBondContact O-N 3.15Å; K190-K211 WeakPolarHBondContact CA-O 3.14Å; K190-K211 HydrophobicContact CG-CB 4.36Å; K190-K213 PolarHBondContact O-N 3.26Å; K190-E214 PolarHBondContact O-N 3.27Å
191V97.8Very high95.4Very high38 Ų3839.6 Ų39.623%0.2321%0.213CC..EExtended strand (participates in β ladder)trans-125.2122.2-174.8-176.20000108.8S167 T168 L169 E214S167-V191 PolarHBondContact O-N 2.79Å; T168-V191 WeakPolarHBondContact CA-O 3.26Å; T168-V191 HydrophobicContact CG2-CB 4.16Å; T168-V191 HydrophobicContact CG2-CG1 4.4Å; L169-V191 PolarHBondContact N-O 3.45Å; V191-E214 WeakPolarHBondContact CA-O 3.49Å; V191-E214 HydrophobicContact CG1-CB 4.33Å; V191-E214 HydrophobicContact CG2-CB 4.25Å
192L98.1Very high95.7Very high1 Ų139.1 Ų39.11%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-126.3112.5173.3178.465.8000109.6L169 L179 I183 L189 V194 L206 L212 E214 I215 N216 F217L169-L192 HydrophobicContact CB-CD1 4.14Å; L169-L192 HydrophobicContact CD2-CD1 3.9Å; L169-L192 HydrophobicContact CG-CD1 4.1Å; L169-L192 WeakPolarHBondContact O-CA 3.36Å; L179-L192 HydrophobicContact CD2-CD2 4.21Å; I183-L192 HydrophobicContact CD1-CD1 3.99Å; I183-L192 HydrophobicContact CD1-CD2 3.54Å; I183-L192 HydrophobicContact CD1-CG 4.4Å; L189-L192 HydrophobicContact CD2-CB 4.38Å; L192-V194 HydrophobicContact CD1-CG1 3.99Å; L192-V194 HydrophobicContact CG-CG1 4.44Å; L192-L206 HydrophobicContact CD2-CD1 3.66Å; L192-L206 HydrophobicContact CD2-CD2 4.45Å; L192-L212 HydrophobicContact CB-CD1 4.07Å; L192-E214 PolarHBondContact N-O 3.11Å; L192-I215 CarbonylContact O-C 3.45Å; L192-I215 VanDerWaalsContact O-CA 3.25Å; L192-I215 WeakPolarHBondContact O-CA 3.42Å; L192-N216 PolarHBondContact O-N 2.94Å; L192-F217 HydrophobicContact CD2-CZ 3.83Å
193D97.9Very high95.7Very high32 Ų3236.8 Ų36.817%0.17120%0.196CC..EExtended strand (participates in β ladder)trans-114.5114.1171.1-167.5-21.8000109.9L169 V170 A171 S172 S195 N216L169-D193 PolarHBondContact O-N 3.14Å; V170-D193 HydrophobicContact CG1-CB 4.21Å; V170-D193 HydrophobicContact CG2-CB 4.45Å; A171-D193 CarbonylContact C-O 3.04Å; A171-D193 WeakPolarHBondContact CA-O 3.49Å; A171-D193 PolarHBondContact N-O 2.93Å; S172-D193 PolarHBondContact N-O 2.93Å; D193-S195 VanDerWaalsContact OD1-CB 3.22Å; D193-S195 WeakPolarHBondContact OD1-CB 3.48Å; D193-S195 PolarHBondContact OD1-N 3.47Å; D193-S195 PolarHBondContact OD1-OG 2.88Å; D193-N216 HydrophobicContact CB-CB 4.19Å; D193-N216 PolarHBondContact OD1-ND2 2.73Å; D193-N216 PolarHBondContact OD2-ND2 2.97Å
194V97.6Very high95.7Very high0 Ų038.3 Ų38.30%021%0.207CC..  trans-129.332173.2-680000109.8F154 A171 L192 N197 L199 N216 F217 N220F154-V194 HydrophobicContact CE2-CG1 4.42Å; F154-V194 HydrophobicContact CZ-CG1 4.46Å; A171-V194 HydrophobicContact CB-CG1 4.29Å; L192-V194 HydrophobicContact CD1-CG1 3.99Å; L192-V194 HydrophobicContact CG-CG1 4.44Å; V194-N197 PolarHBondContact O-ND2 3.18Å; V194-L199 HydrophobicContact CB-CD1 4.16Å; V194-L199 HydrophobicContact CG2-CD1 3.69Å; V194-N216 CarbonylContact C-O 3.52Å; V194-N216 PolarHBondContact N-O 2.85Å; V194-F217 HydrophobicContact CG2-CD1 3.27Å; V194-F217 HydrophobicContact CG2-CE1 3.16Å; V194-F217 HydrophobicContact CG2-CG 4.2Å; V194-F217 HydrophobicContact CG2-CZ 4Å; V194-N220 PolarHBondContact O-ND2 3.15Å
195S97.5Very high95.8Very high9 Ų938.7 Ų38.76%0.06321%0.206CC..  trans-63.5156.5176.661.80000112.5S172 D173 D193 N197 N216 K218S172-S195 CarbonylContact C-O 3.48Å; S172-S195 WeakPolarHBondContact CA-O 3.5Å; S172-S195 VanDerWaalsContact CB-OG 3.29Å; S172-S195 WeakPolarHBondContact CB-OG 3.44Å; D173-S195 PolarHBondContact N-O 3.13Å; D193-S195 VanDerWaalsContact OD1-CB 3.22Å; D193-S195 WeakPolarHBondContact OD1-CB 3.48Å; D193-S195 PolarHBondContact OD1-N 3.47Å; D193-S195 PolarHBondContact OD1-OG 2.88Å; S195-N197 VanDerWaalsContact C-N 3.33Å; S195-N197 PolarHBondContact O-N 3.4Å; S195-N197 PolarHBondContact O-ND2 2.9Å; S195-N197 VanDerWaalsContact O-ND2 3.09Å; S195-N216 WeakPolarHBondContact CB-ND2 3.44Å; S195-N216 WeakPolarHBondContact CB-OD1 3.31Å; S195-N216 PolarHBondContact N-O 3.1Å; S195-N216 VanDerWaalsContact N-O 3.15Å; S195-N216 PolarHBondContact OG-ND2 2.66Å; S195-K218 CarbonylContact C-O 3.58Å; S195-K218 WeakPolarHBondContact CA-O 3.46Å; S195-K218 VanDerWaalsContact CB-O 3.27Å; S195-K218 WeakPolarHBondContact CB-O 2.99Å
196N97.3Very high95.8Very high78 Ų7834.9 Ų34.942%0.41719%0.189SC..SBendtrans51.550.2-180-54.5-29.8000112.6D173 N174 K218D173-N196 WeakPolarHBondContact CA-O 3.45Å; D173-N196 WeakPolarHBondContact OD1-CB 3.4Å; D173-N196 PolarHBondContact OD1-ND2 3.02Å; N174-N196 PolarHBondContact N-O 3.1Å; N196-K218 PolarHBondContact N-O 2.76Å
197N98.3Very high95.6Very high8 Ų835.1 Ų35.14%0.04319%0.191CC..SBendtrans-117.2-168.4173.7-86-77.4000110A171 N174 S175 I176 V194 S195 L199 N220A171-N197 PolarHBondContact O-ND2 3.22Å; N174-N197 VanDerWaalsContact CA-OD1 3.26Å; N174-N197 WeakPolarHBondContact CA-OD1 3.46Å; N174-N197 WeakPolarHBondContact CB-OD1 3.23Å; N174-N197 PolarHBondContact N-OD1 3.36Å; N174-N197 PolarHBondContact O-OD1 3.29Å; S175-N197 PolarHBondContact N-OD1 3.32Å; I176-N197 HydrophobicContact CB-CB 4.25Å; I176-N197 VanDerWaalsContact CB-OD1 3.27Å; I176-N197 WeakPolarHBondContact CB-OD1 3.4Å; I176-N197 WeakPolarHBondContact CG1-OD1 3.45Å; I176-N197 PolarHBondContact N-OD1 3.02Å; V194-N197 PolarHBondContact O-ND2 3.18Å; S195-N197 VanDerWaalsContact C-N 3.33Å; S195-N197 PolarHBondContact O-N 3.4Å; S195-N197 PolarHBondContact O-ND2 2.9Å; S195-N197 VanDerWaalsContact O-ND2 3.09Å; N197-L199 HydrophobicContact CB-CG 4.3Å; N197-N220 VanDerWaalsContact CA-OD1 3.23Å; N197-N220 WeakPolarHBondContact CA-OD1 3.47Å; N197-N220 WeakPolarHBondContact CB-OD1 3.14Å; N197-N220 PolarHBondContact N-OD1 2.96Å; N197-N220 PolarHBondContact O-OD1 3.4Å
198K97.4Very high95.5Very high121 Ų12135.6 Ų35.653%0.52619%0.189SC..  trans-109.324.6-179.7-61.7177.4-176.1165.70112S175 I176 Q177 S200 N220S175-K198 WeakPolarHBondContact OG-CE 3.4Å; S175-K198 PolarHBondContact OG-NZ 2.97Å; I176-K198 CarbonylContact O-C 3.54Å; I176-K198 VanDerWaalsContact O-CA 3.3Å; I176-K198 WeakPolarHBondContact O-CA 3.48Å; I176-K198 PolarHBondContact O-N 3.34Å; Q177-K198 HydrophobicContact CG-CB 4.35Å; K198-S200 PolarHBondContact O-N 2.97Å; K198-N220 PolarHBondContact N-OD1 2.93Å
199L97.1Very high95.3Very high1 Ų135.5 Ų35.51%0.00519%0.188CC..  trans-63.2129.6-179.5-59.9173.7000110.3I176 L179 V194 N197 F217 N220 K221 L222I176-L199 HydrophobicContact CG2-CD2 3.9Å; I176-L199 PolarHBondContact O-N 2.92Å; L179-L199 HydrophobicContact CB-CD2 4.17Å; V194-L199 HydrophobicContact CB-CD1 4.16Å; V194-L199 HydrophobicContact CG2-CD1 3.69Å; N197-L199 HydrophobicContact CB-CG 4.3Å; L199-F217 HydrophobicContact CD1-CD1 3.95Å; L199-F217 HydrophobicContact CD1-CE1 4.1Å; L199-N220 HydrophobicContact CB-CB 4.07Å; L199-N220 VanDerWaalsContact CB-OD1 3.28Å; L199-N220 WeakPolarHBondContact CB-OD1 3.33Å; L199-N220 WeakPolarHBondContact CG-OD1 3.28Å; L199-N220 PolarHBondContact N-OD1 3.07Å; L199-K221 CarbonylContact O-C 3.33Å; L199-K221 VanDerWaalsContact O-C 3.31Å; L199-K221 PolarHBondContact O-N 3.36Å; L199-L222 HydrophobicContact CB-CD2 4.38Å
200S95.2Very high94.9Very high64 Ų6440.1 Ų40.145%0.44822%0.218SC..SBendtrans-95.4-31.4174.258.10000112.4K198 L222 S223K198-S200 PolarHBondContact O-N 2.97Å; S200-L222 CarbonylContact O-C 3.5Å; S200-L222 WeakPolarHBondContact O-CA 3.4Å; S200-S223 PolarHBondContact O-N 3.09Å; S200-S223 PolarHBondContact O-OG 2.71Å
201E94.6Very high94.7Very high107 Ų10740.9 Ų40.950%0.522%0.221SC..  trans-135.3159.7178.9-62-163.6167.600111
202I94.7Very high94.6Very high13 Ų1339.9 Ų39.97%0.06722%0.215CC..  trans-118.4124171.3-56.4177.9000106.6L206 F217 L222 L227 V231 L243I202-L206 HydrophobicContact CG2-CD2 3.71Å; I202-F217 HydrophobicContact CD1-CB 3.89Å; I202-F217 HydrophobicContact CD1-CD1 3.61Å; I202-F217 HydrophobicContact CD1-CD2 3.82Å; I202-F217 HydrophobicContact CD1-CE1 4.05Å; I202-F217 HydrophobicContact CD1-CE2 4.24Å; I202-F217 HydrophobicContact CD1-CG 3.5Å; I202-F217 HydrophobicContact CD1-CZ 4.37Å; I202-F217 HydrophobicContact CG1-CD1 3.99Å; I202-F217 HydrophobicContact CG1-CE1 4.12Å; I202-F217 HydrophobicContact CG1-CG 4.38Å; I202-F217 HydrophobicContact CG2-CE1 4.11Å; I202-F217 HydrophobicContact CG2-CE2 4.31Å; I202-F217 HydrophobicContact CG2-CZ 3.92Å; I202-L222 HydrophobicContact CD1-CD1 3.79Å; I202-L222 HydrophobicContact CD1-CD2 4.22Å; I202-L222 HydrophobicContact CG1-CD1 4.3Å; I202-L222 HydrophobicContact CG1-CD2 3.87Å; I202-L227 HydrophobicContact CB-CD2 4.27Å; I202-L227 HydrophobicContact CD1-CD2 4.03Å; I202-L227 HydrophobicContact CD1-CG 4.36Å; I202-L227 HydrophobicContact CG1-CD2 4.27Å; I202-V231 HydrophobicContact CD1-CG1 4.24Å; I202-L243 HydrophobicContact CB-CD2 4.23Å; I202-L243 HydrophobicContact CG2-CD1 3.72Å; I202-L243 HydrophobicContact CG2-CD2 4.28Å
203P93.6Very high94.2Very high23 Ų2346.9 Ų46.915%0.14925%0.245CC..  trans-63.4137.6-17826.2-34.9000110.9L179 D205 L206L179-P203 HydrophobicContact CB-CG 4.42Å; L179-P203 HydrophobicContact CD2-CG 4.31Å; L179-P203 HydrophobicContact CG-CG 4.28Å; L179-P203 WeakPolarHBondContact O-CG 3.4Å; P203-D205 PolarHBondContact O-N 3.35Å; P203-L206 VanDerWaalsContact O-CB 3.28Å; P203-L206 WeakPolarHBondContact O-CB 3.39Å; P203-L206 PolarHBondContact O-N 3.16Å
204S91Very high94Very high33 Ų3351.1 Ų51.123%0.23126%0.264CS..G310 helixtrans-61.7-29.3177.244.60000112.4L206 S207S204-L206 PolarHBondContact O-N 3.41Å; S204-S207 WeakPolarHBondContact O-CB 3.23Å; S204-S207 PolarHBondContact O-N 3.04Å; S204-S207 PolarHBondContact O-OG 3Å
205D92.9Very high93.9Very high50 Ų5052 Ų5227%0.26727%0.268SS..G310 helixtrans-66.2-18-178.9-48.1-66.1000112.7G181 C184 P203 S207 D208 R251G181-D205 WeakPolarHBondContact O-CB 3.45Å; C184-D205 HydrophobicContact CB-CB 4.17Å; C184-D205 VanDerWaalsContact CB-O 3.29Å; C184-D205 WeakPolarHBondContact CB-O 3.35Å; P203-D205 PolarHBondContact O-N 3.35Å; D205-S207 PolarHBondContact O-N 2.99Å; D205-S207 VanDerWaalsContact O-N 3.17Å; D205-D208 WeakPolarHBondContact O-CA 3.5Å; D205-D208 WeakPolarHBondContact O-CB 3.34Å; D205-D208 PolarHBondContact O-N 3.32Å; D205-R251 IonicContact OD1-NH2 2.69Å; D205-R251 PolarHBondContact OD1-NH2 3.38Å; D205-R251 VanDerWaalsContact OD1-NH2 3.09Å
206L93.4Very high93.8Very high0 Ų053.8 Ų53.80%028%0.277CS..G310 helixtrans-56.4-30.7168.7-17472.1000112.2I183 L192 I202 P203 S204 D208 C209 L212 F217 L240 L243I183-L206 HydrophobicContact CD1-CD1 3.98Å; I183-L206 HydrophobicContact CG1-CD1 4.27Å; I183-L206 HydrophobicContact CG2-CB 4.37Å; I183-L206 HydrophobicContact CG2-CD1 3.74Å; L192-L206 HydrophobicContact CD2-CD1 3.66Å; L192-L206 HydrophobicContact CD2-CD2 4.45Å; I202-L206 HydrophobicContact CG2-CD2 3.71Å; P203-L206 VanDerWaalsContact O-CB 3.28Å; P203-L206 WeakPolarHBondContact O-CB 3.39Å; P203-L206 PolarHBondContact O-N 3.16Å; S204-L206 PolarHBondContact O-N 3.41Å; L206-D208 PolarHBondContact O-N 2.74Å; L206-C209 WeakPolarHBondContact O-CB 3.34Å; L206-C209 PolarHBondContact O-N 3.22Å; L206-L212 HydrophobicContact CD1-CD2 3.66Å; L206-L212 HydrophobicContact CD2-CD2 4.41Å; L206-L212 HydrophobicContact CG-CD2 3.76Å; L206-F217 HydrophobicContact CD2-CE2 3.54Å; L206-F217 HydrophobicContact CD2-CZ 3.38Å; L206-L240 HydrophobicContact CD2-CD2 4.3Å; L206-L240 HydrophobicContact CG-CD2 4.24Å; L206-L243 HydrophobicContact CD2-CD1 4.23Å
207S90.1Very high93.8Very high5 Ų550.2 Ų50.24%0.03526%0.258CS..G310 helixtrans-69.2-16.7175.772.30000113.4S204 D205 L240 R244S204-S207 WeakPolarHBondContact O-CB 3.23Å; S204-S207 PolarHBondContact O-N 3.04Å; S204-S207 PolarHBondContact O-OG 3Å; D205-S207 PolarHBondContact O-N 2.99Å; D205-S207 VanDerWaalsContact O-N 3.17Å; S207-L240 VanDerWaalsContact CB-O 3.3Å; S207-L240 WeakPolarHBondContact CB-O 3.42Å; S207-R244 PolarHBondContact O-NH2 3.47Å
208D90.8Very high93.5Very high62 Ų6254.4 Ų54.433%0.33228%0.276SS..G310 helixtrans-90.5-3.5179.2-64.5-32.8000112.6D205 L206 P210 R244 R251D205-D208 WeakPolarHBondContact O-CA 3.5Å; D205-D208 WeakPolarHBondContact O-CB 3.34Å; D205-D208 PolarHBondContact O-N 3.32Å; L206-D208 PolarHBondContact O-N 2.74Å; D208-P210 WeakPolarHBondContact O-CD 3.48Å; D208-R244 IonicContact OD1-CZ 2.66Å; D208-R244 IonicContact OD1-NH1 2.61Å; D208-R244 PolarHBondContact OD1-NH1 3.05Å; D208-R251 IonicContact OD2-CZ 2.7Å; D208-R251 IonicContact OD2-NH1 3.54Å; D208-R251 IonicContact OD2-NH2 2.73Å; D208-R251 PolarHBondContact OD2-NH2 2.85Å
209C91.9Very high93.3Very high9 Ų951 Ų516%0.06127%0.274CS..  trans-62.2117.5169.1-66.90000110.9I183 C184 L206 K211 L212I183-C209 PolarHBondContact O-SG 2.94Å; C184-C209 VanDerWaalsContact CA-SG 3.59Å; L206-C209 WeakPolarHBondContact O-CB 3.34Å; L206-C209 PolarHBondContact O-N 3.22Å; C209-K211 PolarHBondContact O-N 3.04Å; C209-L212 HydrophobicContact CB-CB 3.7Å; C209-L212 HydrophobicContact CB-CD2 4.08Å; C209-L212 HydrophobicContact CB-CG 4.47Å
210P89.3Confident93.2Very high96 Ų9651.2 Ų51.262%0.62328%0.276SS*.THydrogen-bonded Turntrans-73.7-23.9-167.127.6-35.8000114.5D208D208-P210 WeakPolarHBondContact O-CD 3.48Å
211K93.2Very high93.1Very high109 Ų10956.5 Ų56.547%0.47429%0.291SS..THydrogen-bonded Turntrans-116.66.6-174-67.4-176.8-170.3156.60113.9S187 L189 K190 C209 K213S187-K211 WeakPolarHBondContact O-CD 3.41Å; L189-K211 CarbonylContact O-C 3.43Å; K190-K211 WeakPolarHBondContact CA-O 3.14Å; K190-K211 HydrophobicContact CG-CB 4.36Å; C209-K211 PolarHBondContact O-N 3.04Å; K211-K213 WeakPolarHBondContact O-CG 3.49Å; K211-K213 PolarHBondContact O-N 3.41Å
212L94.1Very high93.1Very high17 Ų1751.6 Ų51.69%0.08927%0.268CS..  trans-69.4120.8-176-167.464.4000110.2L189 L192 L206 C209 I215 L240L189-L212 HydrophobicContact CD2-CD1 4.11Å; L189-L212 HydrophobicContact CG-CD1 4.05Å; L189-L212 VanDerWaalsContact O-CA 3.31Å; L189-L212 WeakPolarHBondContact O-CA 3.38Å; L189-L212 PolarHBondContact O-N 3.3Å; L189-L212 VanDerWaalsContact O-N 3.09Å; L192-L212 HydrophobicContact CB-CD1 4.07Å; L206-L212 HydrophobicContact CD1-CD2 3.66Å; L206-L212 HydrophobicContact CD2-CD2 4.41Å; L206-L212 HydrophobicContact CG-CD2 3.76Å; C209-L212 HydrophobicContact CB-CB 3.7Å; C209-L212 HydrophobicContact CB-CD2 4.08Å; C209-L212 HydrophobicContact CB-CG 4.47Å; L212-I215 HydrophobicContact CD1-CG2 4.02Å; L212-I215 HydrophobicContact CD2-CG2 3.6Å; L212-I215 HydrophobicContact CG-CG2 3.73Å; L212-L240 HydrophobicContact CD2-CD1 4.32Å; L212-L240 HydrophobicContact CD2-CD2 3.98Å
213K90.9Very high93Very high147 Ų14754.2 Ų54.264%0.63929%0.287SS*.  trans-118.1-37.7-173.4-73.1177.2-176.6-173.20112.6K190 K211 T236K190-K213 PolarHBondContact O-N 3.26Å; K211-K213 WeakPolarHBondContact O-CG 3.49Å; K211-K213 PolarHBondContact O-N 3.41Å; K213-T236 WeakPolarHBondContact O-CB 3.45Å; K213-T236 VanDerWaalsContact O-CG2 3.26Å; K213-T236 WeakPolarHBondContact O-CG2 3.39Å
214E93.5Very high92.9Very high121 Ų12154.4 Ų54.457%0.56529%0.287SS*.EExtended strand (participates in β ladder)trans-128.4123.9-174.6-65.2179.3-164.700108.6K190 V191 L192K190-E214 PolarHBondContact O-N 3.27Å; V191-E214 WeakPolarHBondContact CA-O 3.49Å; V191-E214 HydrophobicContact CG1-CB 4.33Å; V191-E214 HydrophobicContact CG2-CB 4.25Å; L192-E214 PolarHBondContact N-O 3.11Å
215I95.7Very high92.9Very high20 Ų2058.8 Ų58.810%0.10330%0.302CS..EExtended strand (participates in β ladder)trans-127.9142.9174.170.1-174000109.4L192 L212 F217 T236 I239 L240L192-I215 CarbonylContact O-C 3.45Å; L192-I215 VanDerWaalsContact O-CA 3.25Å; L192-I215 WeakPolarHBondContact O-CA 3.42Å; L212-I215 HydrophobicContact CD1-CG2 4.02Å; L212-I215 HydrophobicContact CD2-CG2 3.6Å; L212-I215 HydrophobicContact CG-CG2 3.73Å; I215-F217 HydrophobicContact CB-CD2 4.02Å; I215-F217 HydrophobicContact CB-CE2 3.72Å; I215-F217 HydrophobicContact CD1-CD2 3.99Å; I215-F217 HydrophobicContact CD1-CE2 3.85Å; I215-F217 HydrophobicContact CG1-CD2 4.03Å; I215-F217 HydrophobicContact CG1-CE2 4.06Å; I215-F217 HydrophobicContact CG2-CE2 4.24Å; I215-T236 HydrophobicContact CB-CG2 4.15Å; I215-T236 HydrophobicContact CD1-CG2 3.89Å; I215-T236 HydrophobicContact CG1-CG2 3.64Å; I215-T236 HydrophobicContact CG2-CG2 3.84Å; I215-T236 PolarHBondContact N-OG1 3.36Å; I215-I239 HydrophobicContact CD1-CB 3.86Å; I215-I239 HydrophobicContact CD1-CD1 4.12Å; I215-I239 HydrophobicContact CD1-CG2 3.62Å; I215-I239 HydrophobicContact CG1-CD1 4.45Å; I215-L240 HydrophobicContact CD1-CD2 4.1Å; I215-L240 HydrophobicContact CD1-CG 4.36Å
216N95.1Very high92.7Very high45 Ų4562.8 Ų62.824%0.24131%0.313CS..EExtended strand (participates in β ladder)trans-134.4111.9171.8-174.512000110L192 D193 V194 S195 K218L192-N216 PolarHBondContact O-N 2.94Å; D193-N216 HydrophobicContact CB-CB 4.19Å; D193-N216 PolarHBondContact OD1-ND2 2.73Å; D193-N216 PolarHBondContact OD2-ND2 2.97Å; V194-N216 CarbonylContact C-O 3.52Å; V194-N216 PolarHBondContact N-O 2.85Å; S195-N216 WeakPolarHBondContact CB-ND2 3.44Å; S195-N216 WeakPolarHBondContact CB-OD1 3.31Å; S195-N216 PolarHBondContact N-O 3.1Å; S195-N216 VanDerWaalsContact N-O 3.15Å; S195-N216 PolarHBondContact OG-ND2 2.66Å; N216-K218 WeakPolarHBondContact OD1-CB 3.3Å; N216-K218 WeakPolarHBondContact OD1-CG 3.41Å; N216-K218 PolarHBondContact OD1-N 2.84Å
217F96.1Very high92.6Very high3 Ų363 Ų631%0.01331%0.314CS..  trans-118.710.2178.8-71.1-80.5000112.1L179 L192 V194 L199 I202 L206 I215 N220 V231L179-F217 HydrophobicContact CD2-CE1 3.96Å; L179-F217 HydrophobicContact CD2-CZ 4.15Å; L192-F217 HydrophobicContact CD2-CZ 3.83Å; V194-F217 HydrophobicContact CG2-CD1 3.27Å; V194-F217 HydrophobicContact CG2-CE1 3.16Å; V194-F217 HydrophobicContact CG2-CG 4.2Å; V194-F217 HydrophobicContact CG2-CZ 4Å; L199-F217 HydrophobicContact CD1-CD1 3.95Å; L199-F217 HydrophobicContact CD1-CE1 4.1Å; I202-F217 HydrophobicContact CD1-CB 3.89Å; I202-F217 HydrophobicContact CD1-CD1 3.61Å; I202-F217 HydrophobicContact CD1-CD2 3.82Å; I202-F217 HydrophobicContact CD1-CE1 4.05Å; I202-F217 HydrophobicContact CD1-CE2 4.24Å; I202-F217 HydrophobicContact CD1-CG 3.5Å; I202-F217 HydrophobicContact CD1-CZ 4.37Å; I202-F217 HydrophobicContact CG1-CD1 3.99Å; I202-F217 HydrophobicContact CG1-CE1 4.12Å; I202-F217 HydrophobicContact CG1-CG 4.38Å; I202-F217 HydrophobicContact CG2-CE1 4.11Å; I202-F217 HydrophobicContact CG2-CE2 4.31Å; I202-F217 HydrophobicContact CG2-CZ 3.92Å; L206-F217 HydrophobicContact CD2-CE2 3.54Å; L206-F217 HydrophobicContact CD2-CZ 3.38Å; I215-F217 HydrophobicContact CB-CD2 4.02Å; I215-F217 HydrophobicContact CB-CE2 3.72Å; I215-F217 HydrophobicContact CD1-CD2 3.99Å; I215-F217 HydrophobicContact CD1-CE2 3.85Å; I215-F217 HydrophobicContact CG1-CD2 4.03Å; I215-F217 HydrophobicContact CG1-CE2 4.06Å; I215-F217 HydrophobicContact CG2-CE2 4.24Å; F217-N220 PolarHBondContact O-ND2 3.3Å; F217-V231 HydrophobicContact CB-CB 4.19Å; F217-V231 HydrophobicContact CB-CG1 3.83Å
218K93.8Very high92.6Very high97 Ų9765.2 Ų65.242%0.42232%0.324SS..THydrogen-bonded Turntrans-59151.2-177.8-65.3-176.7-179.3-173.50111S195 N196 N216 N220 V231S195-K218 CarbonylContact C-O 3.58Å; S195-K218 WeakPolarHBondContact CA-O 3.46Å; S195-K218 VanDerWaalsContact CB-O 3.27Å; S195-K218 WeakPolarHBondContact CB-O 2.99Å; N196-K218 PolarHBondContact N-O 2.76Å; N216-K218 WeakPolarHBondContact OD1-CB 3.3Å; N216-K218 WeakPolarHBondContact OD1-CG 3.41Å; N216-K218 PolarHBondContact OD1-N 2.84Å; K218-N220 VanDerWaalsContact C-N 3.25Å; K218-N220 PolarHBondContact O-N 3.35Å; K218-V231 VanDerWaalsContact CE-O 3.28Å; K218-V231 WeakPolarHBondContact CE-O 3.49Å; K218-V231 WeakPolarHBondContact CG-O 3.46Å
219G92.8Very high92.5Very high48 Ų4870.1 Ų70.150%0.49534%0.342SS..THydrogen-bonded Turntrans70.515.3178.300000115.5
220N95.3Very high92.3Very high7 Ų771 Ų714%0.03735%0.346CS..  trans-96.2150.8168.2-75.1-79.2000111.2V194 N197 K198 L199 F217 K218 L222V194-N220 PolarHBondContact O-ND2 3.15Å; N197-N220 VanDerWaalsContact CA-OD1 3.23Å; N197-N220 WeakPolarHBondContact CA-OD1 3.47Å; N197-N220 WeakPolarHBondContact CB-OD1 3.14Å; N197-N220 PolarHBondContact N-OD1 2.96Å; N197-N220 PolarHBondContact O-OD1 3.4Å; K198-N220 PolarHBondContact N-OD1 2.93Å; L199-N220 HydrophobicContact CB-CB 4.07Å; L199-N220 VanDerWaalsContact CB-OD1 3.28Å; L199-N220 WeakPolarHBondContact CB-OD1 3.33Å; L199-N220 WeakPolarHBondContact CG-OD1 3.28Å; L199-N220 PolarHBondContact N-OD1 3.07Å; F217-N220 PolarHBondContact O-ND2 3.3Å; K218-N220 VanDerWaalsContact C-N 3.25Å; K218-N220 PolarHBondContact O-N 3.35Å; N220-L222 VanDerWaalsContact C-N 3.35Å; N220-L222 HydrophobicContact CB-CD2 4.16Å; N220-L222 HydrophobicContact CB-CG 4.28Å; N220-L222 PolarHBondContact O-N 3.02Å
221K93.2Very high92.4Very high175 Ų17567 Ų6776%0.76132%0.32SS*.  trans-9167.3-179.7-66.3-176.8-179.3179.60111.1L199L199-K221 CarbonylContact O-C 3.33Å; L199-K221 VanDerWaalsContact O-C 3.31Å; L199-K221 PolarHBondContact O-N 3.36Å
222L94.4Very high91.9Very high3 Ų365.7 Ų65.72%0.01632%0.318CS..  trans-67.2138.9-177-57.4178.5000111.7L199 S200 I202 N220 L227 E228 V231L199-L222 HydrophobicContact CB-CD2 4.38Å; S200-L222 CarbonylContact O-C 3.5Å; S200-L222 WeakPolarHBondContact O-CA 3.4Å; I202-L222 HydrophobicContact CD1-CD1 3.79Å; I202-L222 HydrophobicContact CD1-CD2 4.22Å; I202-L222 HydrophobicContact CG1-CD1 4.3Å; I202-L222 HydrophobicContact CG1-CD2 3.87Å; N220-L222 VanDerWaalsContact C-N 3.35Å; N220-L222 HydrophobicContact CB-CD2 4.16Å; N220-L222 HydrophobicContact CB-CG 4.28Å; N220-L222 PolarHBondContact O-N 3.02Å; L222-L227 HydrophobicContact CD1-CD2 4.31Å; L222-L227 HydrophobicContact CD1-CG 4.01Å; L222-E228 HydrophobicContact CB-CB 4.19Å; L222-V231 HydrophobicContact CD1-CG1 4.18Å; L222-V231 HydrophobicContact CD1-CG2 4.18Å
223S92.2Very high91.1Very high69 Ų6968 Ų6848%0.48335%0.345SS..SBendtrans-67.1-39.4176.461.40000111.3S200 K225S200-S223 PolarHBondContact O-N 3.09Å; S200-S223 PolarHBondContact O-OG 2.71Å; S223-K225 PolarHBondContact O-N 3.3Å
224D91.6Very high90.7Very high26 Ų2663.8 Ų63.814%0.13933%0.334CS..  trans-77.999.1176.2-174.2-27.9000110.6R226 L227 E228 Y242 K246D224-R226 PolarHBondContact O-N 3.48Å; D224-R226 WeakPolarHBondContact OD1-CB 3.36Å; D224-R226 PolarHBondContact OD1-N 3.18Å; D224-R226 VanDerWaalsContact OD1-N 3.08Å; D224-L227 HydrophobicContact CB-CB 3.8Å; D224-L227 PolarHBondContact O-N 3.25Å; D224-L227 PolarHBondContact OD1-N 3.41Å; D224-E228 WeakPolarHBondContact O-CB 3.48Å; D224-E228 PolarHBondContact O-N 3.29Å; D224-Y242 PolarHBondContact OD1-OH 2.69Å; D224-Y242 WeakPolarHBondContact OD2-CE1 3.43Å; D224-Y242 PolarHBondContact OD2-OH 2.98Å; D224-K246 IonicContact OD2-NZ 3.63Å; D224-K246 PolarHBondContact OD2-NZ 2.84Å
225K89.9Confident90.4Very high126 Ų12664.7 Ų64.755%0.54834%0.338SS..Hα-helixtrans-62.2-26.1-178.9-63.9-48.5-171.7-167.60114S223 E228 K229S223-K225 PolarHBondContact O-N 3.3Å; K225-E228 WeakPolarHBondContact CD-OE2 3.39Å; K225-E228 IonicContact NZ-OE1 3.53Å; K225-E228 IonicContact NZ-OE2 3.38Å; K225-E228 PolarHBondContact NZ-OE2 3.09Å; K225-K229 WeakPolarHBondContact O-CG 3.35Å; K225-K229 PolarHBondContact O-N 3.03Å
226R89.8Confident90Very high134 Ų13464.9 Ų64.951%0.50634%0.341SS..Hα-helixtrans-73.3-48.4175-179.6178.1177.9171.53.2109.8D224 E228 K229 M230 Y242D224-R226 PolarHBondContact O-N 3.48Å; D224-R226 WeakPolarHBondContact OD1-CB 3.36Å; D224-R226 PolarHBondContact OD1-N 3.18Å; D224-R226 VanDerWaalsContact OD1-N 3.08Å; R226-E228 VanDerWaalsContact C-N 3.28Å; R226-E228 PolarHBondContact O-N 3.1Å; R226-K229 PolarHBondContact O-N 2.88Å; R226-K229 VanDerWaalsContact O-N 3.17Å; R226-M230 HydrophobicContact CG-SD 4.33Å; R226-M230 WeakPolarHBondContact O-CG 3.48Å; R226-M230 PolarHBondContact O-N 2.94Å; R226-Y242 HydrophobicContact CG-CE2 4.28Å
227L90.4Very high89.6Confident4 Ų469.5 Ų69.52%0.02136%0.358CS..Hα-helixtrans-59.3-41.1175-175.356.8000111.3I202 L222 D224 K229 M230 V231 I239 Y242 L243I202-L227 HydrophobicContact CB-CD2 4.27Å; I202-L227 HydrophobicContact CD1-CD2 4.03Å; I202-L227 HydrophobicContact CD1-CG 4.36Å; I202-L227 HydrophobicContact CG1-CD2 4.27Å; L222-L227 HydrophobicContact CD1-CD2 4.31Å; L222-L227 HydrophobicContact CD1-CG 4.01Å; D224-L227 HydrophobicContact CB-CB 3.8Å; D224-L227 PolarHBondContact O-N 3.25Å; D224-L227 PolarHBondContact OD1-N 3.41Å; L227-K229 VanDerWaalsContact C-N 3.34Å; L227-K229 PolarHBondContact O-N 2.84Å; L227-M230 WeakPolarHBondContact O-CB 3.39Å; L227-M230 PolarHBondContact O-N 2.98Å; L227-M230 VanDerWaalsContact O-N 3.08Å; L227-V231 HydrophobicContact CD1-CG1 4.31Å; L227-V231 HydrophobicContact CG-CG1 4.5Å; L227-V231 WeakPolarHBondContact O-CG1 3.11Å; L227-V231 PolarHBondContact O-N 2.85Å; L227-I239 HydrophobicContact CD1-CG2 3.93Å; L227-Y242 HydrophobicContact CB-CE1 3.93Å; L227-Y242 HydrophobicContact CD1-CD1 3.82Å; L227-Y242 HydrophobicContact CD1-CE1 4.1Å; L227-Y242 HydrophobicContact CD2-CE1 4.5Å; L227-Y242 HydrophobicContact CG-CE1 4.4Å; L227-L243 HydrophobicContact CD1-CD2 4.45Å; L227-L243 HydrophobicContact CD2-CD2 3.95Å
228E90.9Very high89.2Confident51 Ų5171.7 Ų71.724%0.23837%0.374CS..Hα-helixtrans-57.2-42.6174.4-165.6178.9-172.500112.5L222 D224 K225 R226 V231 N232L222-E228 HydrophobicContact CB-CB 4.19Å; D224-E228 WeakPolarHBondContact O-CB 3.48Å; D224-E228 PolarHBondContact O-N 3.29Å; K225-E228 WeakPolarHBondContact CD-OE2 3.39Å; K225-E228 IonicContact NZ-OE1 3.53Å; K225-E228 IonicContact NZ-OE2 3.38Å; K225-E228 PolarHBondContact NZ-OE2 3.09Å; R226-E228 VanDerWaalsContact C-N 3.28Å; R226-E228 PolarHBondContact O-N 3.1Å; E228-V231 WeakPolarHBondContact O-CG2 3.46Å; E228-N232 PolarHBondContact O-ND2 3.49Å
229K88.2Confident89Confident165 Ų16567.3 Ų67.372%0.71736%0.355SS*.Hα-helixtrans-67.7-39.9173.6-71.5175.7-177.7-179.90111.7K225 R226 L227 N232 G233K225-K229 WeakPolarHBondContact O-CG 3.35Å; K225-K229 PolarHBondContact O-N 3.03Å; R226-K229 PolarHBondContact O-N 2.88Å; R226-K229 VanDerWaalsContact O-N 3.17Å; L227-K229 VanDerWaalsContact C-N 3.34Å; L227-K229 PolarHBondContact O-N 2.84Å; K229-N232 PolarHBondContact O-N 3.23Å; K229-G233 PolarHBondContact O-N 3Å
230M88.9Confident89Confident29 Ų2966 Ų6614%0.14334%0.337CS..Hα-helixtrans-65.1-42.4-179.6-70.8-178.96500112.6R226 L227 N232 G233 C234 S238 I239 Y242R226-M230 HydrophobicContact CG-SD 4.33Å; R226-M230 WeakPolarHBondContact O-CG 3.48Å; R226-M230 PolarHBondContact O-N 2.94Å; L227-M230 WeakPolarHBondContact O-CB 3.39Å; L227-M230 PolarHBondContact O-N 2.98Å; L227-M230 VanDerWaalsContact O-N 3.08Å; M230-N232 PolarHBondContact O-N 2.96Å; M230-N232 VanDerWaalsContact O-N 3.14Å; M230-G233 PolarHBondContact O-N 3.24Å; M230-C234 HydrophobicContact CB-CB 4.32Å; M230-C234 WeakPolarHBondContact O-CA 3.4Å; M230-C234 VanDerWaalsContact O-CB 3.23Å; M230-C234 WeakPolarHBondContact O-CB 3.37Å; M230-C234 PolarHBondContact O-N 3.15Å; M230-S238 WeakPolarHBondContact CE-O 3.43Å; M230-I239 HydrophobicContact CB-CG1 4.34Å; M230-Y242 HydrophobicContact CE-CD2 4.47Å; M230-Y242 HydrophobicContact CE-CG 4.22Å; M230-Y242 HydrophobicContact SD-CD2 3.89Å; M230-Y242 HydrophobicContact SD-CE2 4.39Å; M230-Y242 HydrophobicContact SD-CG 3.95Å
231V89.6Confident88.6Confident10 Ų1070.6 Ų70.66%0.06136%0.358CS..Hα-helixtrans-61.9-23.8178.8-640000112.7I202 F217 K218 L222 L227 E228 I239I202-V231 HydrophobicContact CD1-CG1 4.24Å; F217-V231 HydrophobicContact CB-CB 4.19Å; F217-V231 HydrophobicContact CB-CG1 3.83Å; K218-V231 VanDerWaalsContact CE-O 3.28Å; K218-V231 WeakPolarHBondContact CE-O 3.49Å; K218-V231 WeakPolarHBondContact CG-O 3.46Å; L222-V231 HydrophobicContact CD1-CG1 4.18Å; L222-V231 HydrophobicContact CD1-CG2 4.18Å; L227-V231 HydrophobicContact CD1-CG1 4.31Å; L227-V231 HydrophobicContact CG-CG1 4.5Å; L227-V231 WeakPolarHBondContact O-CG1 3.11Å; L227-V231 PolarHBondContact O-N 2.85Å; E228-V231 WeakPolarHBondContact O-CG2 3.46Å; V231-I239 HydrophobicContact CG1-CD1 4.26Å; V231-I239 HydrophobicContact CG1-CG2 4.42Å
232N82.8Confident88.5Confident83 Ų8364.8 Ų64.844%0.44433%0.332SS..Hα-helixtrans-85.3-28-179.8-73-49.2000114.1E228 K229 M230E228-N232 PolarHBondContact O-ND2 3.49Å; K229-N232 PolarHBondContact O-N 3.23Å; M230-N232 PolarHBondContact O-N 2.96Å; M230-N232 VanDerWaalsContact O-N 3.14Å
233G78.9Confident88.3Confident64 Ų6464.8 Ų64.866%0.6633%0.332SS*.Hα-helixtrans-131.5-10.1-170.800000117K229 M230K229-G233 PolarHBondContact O-N 3Å; M230-G233 PolarHBondContact O-N 3.24Å
234C81.4Confident88.1Confident60 Ų6066.1 Ų66.141%0.40533%0.326SS..SBendtrans-102.5158.9-177.2-65.40000112.5M230 I239M230-C234 HydrophobicContact CB-CB 4.32Å; M230-C234 WeakPolarHBondContact O-CA 3.4Å; M230-C234 VanDerWaalsContact O-CB 3.23Å; M230-C234 WeakPolarHBondContact O-CB 3.37Å; M230-C234 PolarHBondContact O-N 3.15Å; C234-I239 HydrophobicContact CB-CG1 4.33Å
235Q86.9Confident87.6Confident139 Ų13967.3 Ų67.365%0.6534%0.344SS*.  trans-73.5153172.6-65.7177.5-5.200110.9K237 S238 I239Q235-K237 PolarHBondContact O-N 3.05Å; Q235-K237 VanDerWaalsContact O-N 3.15Å; Q235-S238 PolarHBondContact O-N 2.79Å; Q235-I239 PolarHBondContact O-N 3.25Å
236T88.3Confident87Confident25 Ų2565.8 Ų65.815%0.15334%0.338CS..Hα-helixtrans-47-45177.7-60.30000113K213 I215 S238 I239 L240K213-T236 WeakPolarHBondContact O-CB 3.45Å; K213-T236 VanDerWaalsContact O-CG2 3.26Å; K213-T236 WeakPolarHBondContact O-CG2 3.39Å; I215-T236 HydrophobicContact CB-CG2 4.15Å; I215-T236 HydrophobicContact CD1-CG2 3.89Å; I215-T236 HydrophobicContact CG1-CG2 3.64Å; I215-T236 HydrophobicContact CG2-CG2 3.84Å; I215-T236 PolarHBondContact N-OG1 3.36Å; T236-S238 VanDerWaalsContact C-N 3.33Å; T236-S238 PolarHBondContact O-N 2.95Å; T236-I239 PolarHBondContact O-N 3.44Å; T236-I239 VanDerWaalsContact O-N 3.15Å; T236-L240 HydrophobicContact CG2-CD1 3.87Å; T236-L240 HydrophobicContact CG2-CG 4.18Å; T236-L240 WeakPolarHBondContact O-CG 3.36Å; T236-L240 PolarHBondContact O-N 3.11Å
237K85.6Confident85.5Confident141 Ų14159.7 Ų59.761%0.61332%0.316SS*.Hα-helixtrans-56.6-43.5179.8-173.1178.1178.1-177.80113.1Q235 I239 L240 E241Q235-K237 PolarHBondContact O-N 3.05Å; Q235-K237 VanDerWaalsContact O-N 3.15Å; K237-I239 VanDerWaalsContact C-N 3.33Å; K237-L240 PolarHBondContact O-N 3.32Å; K237-E241 WeakPolarHBondContact CE-OE1 3.43Å; K237-E241 WeakPolarHBondContact O-CB 3.5Å; K237-E241 WeakPolarHBondContact O-CG 3.25Å; K237-E241 PolarHBondContact O-N 3.09Å
238S89.1Confident83.5Confident49 Ų4967.6 Ų67.634%0.34335%0.346SS..Hα-helixtrans-68.5-34.9-179.2-560000112.1M230 Q235 T236 Y242M230-S238 WeakPolarHBondContact CE-O 3.43Å; Q235-S238 PolarHBondContact O-N 2.79Å; T236-S238 VanDerWaalsContact C-N 3.33Å; T236-S238 PolarHBondContact O-N 2.95Å; S238-Y242 WeakPolarHBondContact O-CB 3.49Å; S238-Y242 PolarHBondContact O-N 3.39Å; S238-Y242 VanDerWaalsContact O-N 3.07Å
239I89.6Confident81.3Confident5 Ų567.8 Ų67.83%0.02636%0.362CS..Hα-helixtrans-68.5-45176.2-61.2162.6000109.8I215 L227 M230 V231 C234 Q235 T236 K237 E241 Y242 L243I215-I239 HydrophobicContact CD1-CB 3.86Å; I215-I239 HydrophobicContact CD1-CD1 4.12Å; I215-I239 HydrophobicContact CD1-CG2 3.62Å; I215-I239 HydrophobicContact CG1-CD1 4.45Å; L227-I239 HydrophobicContact CD1-CG2 3.93Å; M230-I239 HydrophobicContact CB-CG1 4.34Å; V231-I239 HydrophobicContact CG1-CD1 4.26Å; V231-I239 HydrophobicContact CG1-CG2 4.42Å; C234-I239 HydrophobicContact CB-CG1 4.33Å; Q235-I239 PolarHBondContact O-N 3.25Å; T236-I239 PolarHBondContact O-N 3.44Å; T236-I239 VanDerWaalsContact O-N 3.15Å; K237-I239 VanDerWaalsContact C-N 3.33Å; I239-E241 PolarHBondContact O-N 3.26Å; I239-Y242 WeakPolarHBondContact O-CB 3.31Å; I239-Y242 PolarHBondContact O-N 3.15Å; I239-L243 HydrophobicContact CG2-CD1 4.32Å; I239-L243 WeakPolarHBondContact O-CG 3.45Å; I239-L243 PolarHBondContact O-N 3.31Å
240L91Very high79.3Confident21 Ų2168.1 Ų68.111%0.1136%0.358CS..Hα-helixtrans-65-38.4177.1-62.6178.7000112.3L206 S207 L212 I215 T236 K237 Y242 L243 R244L206-L240 HydrophobicContact CD2-CD2 4.3Å; L206-L240 HydrophobicContact CG-CD2 4.24Å; S207-L240 VanDerWaalsContact CB-O 3.3Å; S207-L240 WeakPolarHBondContact CB-O 3.42Å; L212-L240 HydrophobicContact CD2-CD1 4.32Å; L212-L240 HydrophobicContact CD2-CD2 3.98Å; I215-L240 HydrophobicContact CD1-CD2 4.1Å; I215-L240 HydrophobicContact CD1-CG 4.36Å; T236-L240 HydrophobicContact CG2-CD1 3.87Å; T236-L240 HydrophobicContact CG2-CG 4.18Å; T236-L240 WeakPolarHBondContact O-CG 3.36Å; T236-L240 PolarHBondContact O-N 3.11Å; K237-L240 PolarHBondContact O-N 3.32Å; L240-Y242 VanDerWaalsContact C-N 3.35Å; L240-L243 HydrophobicContact CD2-CD1 4.46Å; L240-L243 PolarHBondContact O-N 3.14Å; L240-R244 WeakPolarHBondContact O-CB 3.33Å; L240-R244 PolarHBondContact O-N 3.15Å
241E88.6Confident77Confident103 Ų10373 Ų7348%0.48138%0.375SS..Hα-helixtrans-62.9-40.1173.4-78.8178-17200112.1K237 I239 R244 G245K237-E241 WeakPolarHBondContact CE-OE1 3.43Å; K237-E241 WeakPolarHBondContact O-CB 3.5Å; K237-E241 WeakPolarHBondContact O-CG 3.25Å; K237-E241 PolarHBondContact O-N 3.09Å; I239-E241 PolarHBondContact O-N 3.26Å; E241-R244 PolarHBondContact O-N 3.31Å; E241-G245 PolarHBondContact O-N 3.34Å; E241-G245 VanDerWaalsContact O-N 3.09Å
242Y90.3Very high74.5Confident53 Ų5379.5 Ų79.521%0.20841%0.41CS..Hα-helixtrans-62.6-45.8175178.6-94000112D224 R226 L227 M230 S238 I239 L240 R244 G245 K246D224-Y242 PolarHBondContact OD1-OH 2.69Å; D224-Y242 WeakPolarHBondContact OD2-CE1 3.43Å; D224-Y242 PolarHBondContact OD2-OH 2.98Å; R226-Y242 HydrophobicContact CG-CE2 4.28Å; L227-Y242 HydrophobicContact CB-CE1 3.93Å; L227-Y242 HydrophobicContact CD1-CD1 3.82Å; L227-Y242 HydrophobicContact CD1-CE1 4.1Å; L227-Y242 HydrophobicContact CD2-CE1 4.5Å; L227-Y242 HydrophobicContact CG-CE1 4.4Å; M230-Y242 HydrophobicContact CE-CD2 4.47Å; M230-Y242 HydrophobicContact CE-CG 4.22Å; M230-Y242 HydrophobicContact SD-CD2 3.89Å; M230-Y242 HydrophobicContact SD-CE2 4.39Å; M230-Y242 HydrophobicContact SD-CG 3.95Å; S238-Y242 WeakPolarHBondContact O-CB 3.49Å; S238-Y242 PolarHBondContact O-N 3.39Å; S238-Y242 VanDerWaalsContact O-N 3.07Å; I239-Y242 WeakPolarHBondContact O-CB 3.31Å; I239-Y242 PolarHBondContact O-N 3.15Å; L240-Y242 VanDerWaalsContact C-N 3.35Å; Y242-R244 VanDerWaalsContact C-N 3.32Å; Y242-R244 PolarHBondContact O-N 3.48Å; Y242-G245 PolarHBondContact O-N 3.33Å; Y242-K246 PolarHBondContact O-N 2.89Å; Y242-K246 VanDerWaalsContact O-N 3.15Å
243L89.7Confident72.4Confident3 Ų383.2 Ų83.22%0.01643%0.425CS..Hα-helixtrans-62.1-38.9176.5-69.2173.7000112.1I202 L206 L227 I239 L240 G245 K246 G247I202-L243 HydrophobicContact CB-CD2 4.23Å; I202-L243 HydrophobicContact CG2-CD1 3.72Å; I202-L243 HydrophobicContact CG2-CD2 4.28Å; L206-L243 HydrophobicContact CD2-CD1 4.23Å; L227-L243 HydrophobicContact CD1-CD2 4.45Å; L227-L243 HydrophobicContact CD2-CD2 3.95Å; I239-L243 HydrophobicContact CG2-CD1 4.32Å; I239-L243 WeakPolarHBondContact O-CG 3.45Å; I239-L243 PolarHBondContact O-N 3.31Å; L240-L243 HydrophobicContact CD2-CD1 4.46Å; L240-L243 PolarHBondContact O-N 3.14Å; L243-G245 PolarHBondContact O-N 2.93Å; L243-K246 PolarHBondContact O-N 3.34Å; L243-G247 PolarHBondContact O-N 3.17Å
244R88.6Confident70.2Confident98 Ų9889.1 Ų89.137%0.3744%0.435SS..Hα-helixtrans-62.5-40.6176-169.9-176.5-59.6-69.9-1.8112.2S207 D208 L240 E241 Y242S207-R244 PolarHBondContact O-NH2 3.47Å; D208-R244 IonicContact OD1-CZ 2.66Å; D208-R244 IonicContact OD1-NH1 2.61Å; D208-R244 PolarHBondContact OD1-NH1 3.05Å; L240-R244 WeakPolarHBondContact O-CB 3.33Å; L240-R244 PolarHBondContact O-N 3.15Å; E241-R244 PolarHBondContact O-N 3.31Å; Y242-R244 VanDerWaalsContact C-N 3.32Å; Y242-R244 PolarHBondContact O-N 3.48Å
245G81.3Confident67.9Low50 Ų5089.8 Ų89.852%0.51545%0.452SS..Hα-helixtrans-63.5-41.9176.100000112.5E241 Y242 L243 R248E241-G245 PolarHBondContact O-N 3.34Å; E241-G245 VanDerWaalsContact O-N 3.09Å; Y242-G245 PolarHBondContact O-N 3.33Å; L243-G245 PolarHBondContact O-N 2.93Å; G245-R248 PolarHBondContact O-N 3.38Å
246K77.6Confident65.1Low95 Ų9586.4 Ų86.441%0.41345%0.454SS..Hα-helixtrans-69.1-33.7179.5-163.7176-176.1174.10113.3D224 Y242 L243 R248D224-K246 IonicContact OD2-NZ 3.63Å; D224-K246 PolarHBondContact OD2-NZ 2.84Å; Y242-K246 PolarHBondContact O-N 2.89Å; Y242-K246 VanDerWaalsContact O-N 3.15Å; L243-K246 PolarHBondContact O-N 3.34Å; K246-R248 VanDerWaalsContact C-N 3.34Å
247G57.8Low62.5Low5 Ų593 Ų935%0.05249%0.488CS..Hα-helixtrans-69.5-26.8178.400000114.2L243 R251L243-G247 PolarHBondContact O-N 3.17Å; G247-R251 WeakPolarHBondContact O-CG 3.28Å; G247-R251 PolarHBondContact O-N 3.14Å
248R49.2Very low59.7Low170 Ų17091.3 Ų91.364%0.64250%0.495SS*.Hα-helixtrans-74.2-40.3179.7-73.4180174.2-179.7-5.1112.8G245 K246 R250 R251G245-R248 PolarHBondContact O-N 3.38Å; K246-R248 VanDerWaalsContact C-N 3.34Å; R248-R250 PolarHBondContact O-N 2.86Å; R248-R250 VanDerWaalsContact O-N 3.14Å; R248-R251 PolarHBondContact O-N 3.14Å
249G43.8Very low56.9Low56 Ų5696.3 Ų96.358%0.57752%0.518SS*.Hα-helixtrans-67-12177.300000115.4
250R45.5Very low54.1Low171 Ų171105.1 Ų105.165%0.64556%0.556SS**Hα-helixtrans-100.9-27.5175.2-92.4-177.1170.9171.3-3.1114.1R248 D252 E253R248-R250 PolarHBondContact O-N 2.86Å; R248-R250 VanDerWaalsContact O-N 3.14Å; R250-D252 VanDerWaalsContact C-N 3.27Å; R250-D252 PolarHBondContact O-N 3Å; R250-E253 PolarHBondContact O-N 2.79Å
251R40.9Very low51.2Low131 Ų131113.9 Ų113.949%0.49459%0.593SS.*Hα-helixtrans-73.3-19.2-178.5-74.4179.5-159.4172.64.1113D205 D208 G247 R248 E253D205-R251 IonicContact OD1-NH2 2.69Å; D205-R251 PolarHBondContact OD1-NH2 3.38Å; D205-R251 VanDerWaalsContact OD1-NH2 3.09Å; D208-R251 IonicContact OD2-CZ 2.7Å; D208-R251 IonicContact OD2-NH1 3.54Å; D208-R251 IonicContact OD2-NH2 2.73Å; D208-R251 PolarHBondContact OD2-NH2 2.85Å; G247-R251 WeakPolarHBondContact O-CG 3.28Å; G247-R251 PolarHBondContact O-N 3.14Å; R248-R251 PolarHBondContact O-N 3.14Å; R251-E253 VanDerWaalsContact C-N 3.32Å
252D37.6Very low48.4Very low147 Ų147118.6 Ų118.679%0.78661%0.612SS**THydrogen-bonded Turntrans-83.8-3.1175.6-64.8-29.6000113.4R250R250-D252 VanDerWaalsContact C-N 3.27Å; R250-D252 PolarHBondContact O-N 3Å
253E38.8Very low45.5Very low162 Ų162126.3 Ų126.376%0.75765%0.647SS**THydrogen-bonded Turntrans-99.1-6.7176-69.6-169156.800113.9R250 R251 G255R250-E253 PolarHBondContact O-N 2.79Å; R251-E253 VanDerWaalsContact C-N 3.32Å; E253-G255 VanDerWaalsContact C-N 3.3Å; E253-G255 PolarHBondContact O-N 3.42Å; E253-G255 VanDerWaalsContact O-N 3.16Å
254E33.2Very low42.7Very low187 Ų187134.9 Ų134.987%0.87469%0.687SS**SBendtrans-90.264.3173.8-74.4-169.9167.200111.3
255G32.9Very low39.9Very low74 Ų74138.4 Ų138.476%0.76371%0.707SS**SBendtrans-174.867.8177.800000113E253E253-G255 VanDerWaalsContact C-N 3.3Å; E253-G255 PolarHBondContact O-N 3.42Å; E253-G255 VanDerWaalsContact O-N 3.16Å
256G28.2Very low37.8Very low68 Ų68145 Ų14570%0.70172%0.724SS**  trans160.2102.4170.400000115.1S258G256-S258 PolarHBondContact O-N 2.84Å
257D34.1Very low35.5Very low163 Ų163149.6 Ų149.687%0.87275%0.747SS**  trans-39.1116.3162.7-179.126.5000113.2
258S26.7Very low34.2Very low107 Ų107158.8 Ų158.875%0.74879%0.785SS**  trans-166.259.1154.348.80000111.8G256 K260G256-S258 PolarHBondContact O-N 2.84Å; S258-K260 PolarHBondContact O-N 2.99Å; S258-K260 VanDerWaalsContact O-N 3.08Å
259D29.1Very low33.4Very low153 Ų153158.6 Ų158.682%0.81879%0.789SS**  trans-76.890.2162.7-158.86.5000109.1
260K31.9Very low33Very low190 Ų190165.7 Ų165.783%0.82680%0.804SS**  trans169.383.5151.6-94.1161.5-169.8175.10111.2S258S258-K260 PolarHBondContact O-N 2.99Å; S258-K260 VanDerWaalsContact O-N 3.08Å
261K29.8Very low32.2Very low205 Ų205167.6 Ų167.689%0.89182%0.817SS**SBendtrans162.190.4138.1-93.3169.6178.8176.50109.7
262K29Very low31.8Very low202 Ų202163.1 Ų163.188%0.87881%0.812SS**  trans-179.241.8134.5-98.1166.3-176.7179.10112.8Q264K262-Q264 PolarHBondContact O-N 3.18Å
263K30.5Very low31.5Very low216 Ų216162.3 Ų162.394%0.93980%0.801SS**  trans-76.667.6149.4-89.4-177.2176.4170.70109.1
264Q30.7Very low31.3Very low183 Ų183159.6 Ų159.686%0.85580%0.796SS**SBendtrans-169.260.2162-116177.523.800110.9K262K262-Q264 PolarHBondContact O-N 3.18Å
265Q29.5Very low31.1Very low172 Ų172159.5 Ų159.580%0.80479%0.787SS**  trans-15420.2151.9-115.417029.800113H267Q265-H267 PolarHBondContact O-N 3.24Å
266Q36.3Very low31.1Very low188 Ų188160.8 Ų160.888%0.87977%0.773SS**THydrogen-bonded Turntrans-90.774162.8-78.4-179.6-0.500108.9
267H29.9Very low31.4Very low191 Ų191163 Ų16388%0.88477%0.765SS**THydrogen-bonded Turntrans-171.611.3152.6-113.9-68.5000115.2Q265Q265-H267 PolarHBondContact O-N 3.24Å
268K30.4Very low31.3Very low198 Ų198161.4 Ų161.486%0.86175%0.753SS**SBendtrans-128.114.3175.9-105.7-177.3178.4179.60115.7
269K33.5Very low31.6Very low167 Ų167160.1 Ų160.173%0.72674%0.738SS**SBendtrans-110.338.6173.6-97-169.1174-168.10113.2
270K34.4Very low32Very low204 Ų204159.1 Ų159.189%0.88773%0.728SS**SBendtrans-119.69.9174.3-136.7177.3-176.8-179.80113.9
271K28.7Very low32Very low211 Ų211154.4 Ų154.492%0.91772%0.715SS**SBendtrans-127.3-6.1173.9-91.1-174.1171.7-177.10115
272G32.5Very low32.1Very low37 Ų37150.9 Ų150.938%0.38170%0.702SS.*SBendtrans-96.9-14.5172.200000114.7V274 R275 E276G272-V274 VanDerWaalsContact C-N 3.32Å; G272-V274 PolarHBondContact O-N 3.27Å; G272-R275 PolarHBondContact O-N 2.9Å; G272-R275 VanDerWaalsContact O-N 3.13Å; G272-E276 PolarHBondContact O-N 2.88Å; G272-E276 VanDerWaalsContact O-N 3.15Å
273K32.3Very low32.4Very low130 Ų130146.7 Ų146.757%0.56569%0.685SS**Hα-helixtrans-73.3-19.2-170.2-149.6177.9-179-173.10114.6E277K273-E277 WeakPolarHBondContact O-CB 3.25Å; K273-E277 WeakPolarHBondContact O-CG 3.49Å; K273-E277 PolarHBondContact O-N 3.08Å
274V33Very low32.6Very low106 Ų106142.3 Ų142.364%0.64267%0.671SS**Hα-helixtrans-81.3-22174.4-176.60000111.4G272G272-V274 VanDerWaalsContact C-N 3.32Å; G272-V274 PolarHBondContact O-N 3.27Å
275R29.3Very low32.6Very low185 Ų185140 Ų14070%0.69867%0.665SS**Hα-helixtrans-88-37.2177.4-159172.7179.7175.2-0.3111.4G272 Q278 D279G272-R275 PolarHBondContact O-N 2.9Å; G272-R275 VanDerWaalsContact O-N 3.13Å; R275-Q278 PolarHBondContact O-N 2.95Å; R275-D279 PolarHBondContact O-N 3.17Å
276E34.1Very low32.8Very low100 Ų100138.3 Ų138.347%0.46766%0.655SS.*Hα-helixtrans-65.1-34.9170.9-73.8172.8167.600112.3G272 Q278 D279 E280G272-E276 PolarHBondContact O-N 2.88Å; G272-E276 VanDerWaalsContact O-N 3.15Å; E276-Q278 VanDerWaalsContact C-N 3.3Å; E276-Q278 PolarHBondContact O-N 3.41Å; E276-D279 PolarHBondContact O-N 3.18Å; E276-E280 WeakPolarHBondContact O-CB 3.41Å; E276-E280 WeakPolarHBondContact O-CG 3.43Å; E276-E280 PolarHBondContact O-N 3.41Å
277E34.1Very low32.9Very low114 Ų114134.6 Ų134.653%0.53364%0.639SS.*Hα-helixtrans-71.4-22174.1-78.8173.8-174.100113.3K273 V281K273-E277 WeakPolarHBondContact O-CB 3.25Å; K273-E277 WeakPolarHBondContact O-CG 3.49Å; K273-E277 PolarHBondContact O-N 3.08Å; E277-V281 WeakPolarHBondContact O-CG2 3.36Å
278Q31.6Very low33.1Very low130 Ų130129.3 Ų129.361%0.60762%0.62SS**Hα-helixtrans-82.6-39170.4-84173.7-23.800111.5R275 E276 V281 E282R275-Q278 PolarHBondContact O-N 2.95Å; E276-Q278 VanDerWaalsContact C-N 3.3Å; E276-Q278 PolarHBondContact O-N 3.41Å; Q278-V281 PolarHBondContact O-N 2.86Å; Q278-E282 PolarHBondContact O-N 3.18Å
279D32.6Very low33.3Very low80 Ų80122.6 Ų122.643%0.42860%0.596SS.*Hα-helixtrans-68.9-33.2176-70.2-23.9000112.1R275 E276 E282 E283R275-D279 PolarHBondContact O-N 3.17Å; E276-D279 PolarHBondContact O-N 3.18Å; D279-E282 CarbonylContact O-C 3.53Å; D279-E282 PolarHBondContact O-N 2.95Å; D279-E283 WeakPolarHBondContact O-CB 3.36Å; D279-E283 WeakPolarHBondContact O-CG 3.29Å; D279-E283 PolarHBondContact O-N 3.25Å
280E37.2Very low33.1Very low132 Ų132121.7 Ų121.762%0.61759%0.588SS**Hα-helixtrans-72.8-30.9175.7-78.7-176.4-177.600112.9E276 L284E276-E280 WeakPolarHBondContact O-CB 3.41Å; E276-E280 WeakPolarHBondContact O-CG 3.43Å; E276-E280 PolarHBondContact O-N 3.41Å; E280-L284 PolarHBondContact O-N 3.08Å
281V33Very low33.3Very low92 Ų92114.8 Ų114.856%0.55856%0.562SS**Hα-helixtrans-76.2-30.2172.7179.30000110.6E277 Q278 N285E277-V281 WeakPolarHBondContact O-CG2 3.36Å; Q278-V281 PolarHBondContact O-N 2.86Å; V281-N285 PolarHBondContact O-N 2.96Å; V281-N285 PolarHBondContact O-ND2 3.25Å
282E32.4Very low33.6Very low130 Ų130107.9 Ų107.961%0.60754%0.535SS*.Hα-helixtrans-72.7-33.3167.6-83.4-170.1155.300113.4Q278 D279 N285 K286Q278-E282 PolarHBondContact O-N 3.18Å; D279-E282 CarbonylContact O-C 3.53Å; D279-E282 PolarHBondContact O-N 2.95Å; E282-N285 CarbonylContact O-C 3.59Å; E282-N285 WeakPolarHBondContact O-CA 3.25Å; E282-N285 WeakPolarHBondContact O-CB 3.43Å; E282-N285 PolarHBondContact O-N 2.95Å; E282-K286 PolarHBondContact O-N 2.97Å; E282-K286 VanDerWaalsContact O-N 3.09Å
283E34.7Very low34.3Very low115 Ų115112 Ų11254%0.53754%0.544SS..Hα-helixtrans-72.5-34176-84.1-87.3128.200112.7D279 N285 K286D279-E283 WeakPolarHBondContact O-CB 3.36Å; D279-E283 WeakPolarHBondContact O-CG 3.29Å; D279-E283 PolarHBondContact O-N 3.25Å; E283-N285 VanDerWaalsContact C-N 3.26Å; E283-N285 PolarHBondContact O-N 2.72Å; E283-K286 WeakPolarHBondContact O-CB 2.84Å; E283-K286 PolarHBondContact O-N 2.94Å; E283-K286 VanDerWaalsContact O-N 3.1Å; E283-K286 WeakPolarHBondContact OE1-CD 3.4Å; E283-K286 IonicContact OE1-NZ 2.71Å; E283-K286 PolarHBondContact OE1-NZ 3.09Å
284L33.9Very low34.7Very low123 Ų123107.8 Ų107.864%0.64453%0.529SS*.Hα-helixtrans-66.7-29167.3-90.8151.6000112.2E280 K286E280-L284 PolarHBondContact O-N 3.08Å; L284-K286 VanDerWaalsContact C-N 3.26Å
285N32.2Very low34.8Very low135 Ų135106.9 Ų106.972%0.72253%0.527SS*.THydrogen-bonded Turntrans-78.9-5.1170.7-77.2-20.7000113.6V281 E282 E283V281-N285 PolarHBondContact O-N 2.96Å; V281-N285 PolarHBondContact O-ND2 3.25Å; E282-N285 CarbonylContact O-C 3.59Å; E282-N285 WeakPolarHBondContact O-CA 3.25Å; E282-N285 WeakPolarHBondContact O-CB 3.43Å; E282-N285 PolarHBondContact O-N 2.95Å; E283-N285 VanDerWaalsContact C-N 3.26Å; E283-N285 PolarHBondContact O-N 2.72Å
286K33.7Very low35.1Very low136 Ų136106.7 Ų106.759%0.59153%0.534SS*.THydrogen-bonded Turntrans-93.619.7174.2-98.4-175.2-167.1169.60113.9E282 E283 L284 V288E282-K286 PolarHBondContact O-N 2.97Å; E282-K286 VanDerWaalsContact O-N 3.09Å; E283-K286 WeakPolarHBondContact O-CB 2.84Å; E283-K286 PolarHBondContact O-N 2.94Å; E283-K286 VanDerWaalsContact O-N 3.1Å; E283-K286 WeakPolarHBondContact OE1-CD 3.4Å; E283-K286 IonicContact OE1-NZ 2.71Å; E283-K286 PolarHBondContact OE1-NZ 3.09Å; L284-K286 VanDerWaalsContact C-N 3.26Å; K286-V288 PolarHBondContact O-N 3.11Å
287M38.2Very low35.4Very low111 Ų111104.7 Ų104.755%0.54754%0.535SS..  trans-66.881.6159.7-84.2-171.1158.500109V289 K488M287-V289 PolarHBondContact O-N 2.85Å; M287-K488 HydrophobicContact CE-CD 4.23Å
288V33.2Very low35.9Very low80 Ų80105.5 Ų105.549%0.48555%0.55SS.*  trans-77.477.7175.9-172.50000108K286 R290K286-V288 PolarHBondContact O-N 3.11Å; V288-R290 HydrophobicContact CG1-CB 4.38Å; V288-R290 PolarHBondContact O-N 2.8Å
289V35.1Very low36.9Very low57 Ų57100.5 Ų100.535%0.34553%0.528SS..  trans-72.999.7155.7179.70000105.4M287 V291 V521M287-V289 PolarHBondContact O-N 2.85Å; V289-V291 HydrophobicContact CG1-CG2 4.1Å; V289-V291 PolarHBondContact O-N 3.21Å; V289-V291 VanDerWaalsContact O-N 3.07Å; V289-V521 HydrophobicContact CG1-CG2 3.95Å
290R29.5Very low38.2Very low148 Ų148101 Ų10156%0.55854%0.543SS*.EExtended strand (participates in β ladder)trans-77.5100.9178.4-160.2179.3-173.3-164.42.1108.1V288 L292 V521V288-R290 HydrophobicContact CG1-CB 4.38Å; V288-R290 PolarHBondContact O-N 2.8Å; R290-L292 HydrophobicContact CG-CD2 4.43Å; R290-L292 PolarHBondContact O-N 3.02Å; R290-V521 PolarHBondContact O-N 3.03Å
291V38.2Very low39.7Very low58 Ų5895.6 Ų95.635%0.35252%0.519SS..EExtended strand (participates in β ladder)trans-84.1104.2173-177.20000108.3V289 H293 L547V289-V291 HydrophobicContact CG1-CG2 4.1Å; V289-V291 PolarHBondContact O-N 3.21Å; V289-V291 VanDerWaalsContact O-N 3.07Å; V291-H293 PolarHBondContact O-N 3.27Å; V291-L547 HydrophobicContact CG1-CD1 3.71Å; V291-L547 HydrophobicContact CG1-CD2 3.35Å; V291-L547 HydrophobicContact CG1-CG 3.84Å
292L35.4Very low41.8Very low66 Ų6694.8 Ų94.835%0.34651%0.514SS..EExtended strand (participates in β ladder)trans-84.4111.4173.9-68.4171000108.3R290 I520 V521R290-L292 HydrophobicContact CG-CD2 4.43Å; R290-L292 PolarHBondContact O-N 3.02Å; L292-I520 HydrophobicContact CD1-CG2 3.86Å; L292-I520 HydrophobicContact CG-CG2 4.44Å; L292-V521 PolarHBondContact N-O 3.22Å
293H46.8Very low44Very low124 Ų12490.8 Ų90.857%0.57450%0.498SS*.  trans-75.9135.7163.9-70.876.5000108.3V291 S295 L547V291-H293 PolarHBondContact O-N 3.27Å; H293-S295 PolarHBondContact O-N 3.19Å; H293-L547 WeakPolarHBondContact CE1-CD2 3.31Å; H293-L547 WeakPolarHBondContact NE2-CD2 3.47Å
294V40.9Very low46.2Very low42 Ų4292.5 Ų92.526%0.25550%0.504SS..  trans-42.7112.4-178.3179.60000111.3Q523V294-Q523 WeakPolarHBondContact CG2-O 3.17Å
295S34.2Very low48.6Very low86 Ų8690.5 Ų90.560%0.60150%0.497SS*.  trans-72.6156.1156.379.30000108.1H293 A297H293-S295 PolarHBondContact O-N 3.19Å; S295-A297 PolarHBondContact O-N 3.21Å
296E36.5Very low51Low181 Ų18186.8 Ų86.885%0.84648%0.477SS*.SBendtrans-64.815.2-176.2-61.5179158.500114.9
297A39.3Very low53Low58 Ų5883.4 Ų83.448%0.47947%0.474SS..SBendtrans-87.2137.7171.300000110.4S295 T299S295-A297 PolarHBondContact O-N 3.21Å; A297-T299 PolarHBondContact O-N 3.24Å; A297-T299 VanDerWaalsContact O-N 3.09Å
298P45.9Very low55.1Low131 Ų13183.7 Ų83.785%0.85147%0.474SS*.  trans-65115.6-177.325.6-32000109.9
299T52.3Low57.4Low25 Ų2579.9 Ų79.915%0.15345%0.451CS..  trans-68.6148.5168-18.30000110.6A297 L301 E524A297-T299 PolarHBondContact O-N 3.24Å; A297-T299 VanDerWaalsContact O-N 3.09Å; T299-L301 PolarHBondContact O-N 3.18Å; T299-E524 VanDerWaalsContact CB-CD 3.41Å; T299-E524 WeakPolarHBondContact CB-OE1 3.43Å; T299-E524 WeakPolarHBondContact CB-OE2 3.32Å; T299-E524 WeakPolarHBondContact CG2-OE1 3.25Å; T299-E524 PolarHBondContact OG1-OE2 3.32Å
300A58.5Low59.3Low90 Ų9084 Ų8474%0.74447%0.465SS*.SBendtrans-66.5-19.1-174.300000114.4
301L69.3Low61.6Low20 Ų2084.1 Ų84.111%0.10548%0.476CS..  trans-130.299.9-174.9-81.4156000111.1T299 V363 L367 E524T299-L301 PolarHBondContact O-N 3.18Å; L301-V363 HydrophobicContact CD2-CB 4.44Å; L301-V363 HydrophobicContact CD2-CG1 3.75Å; L301-L367 HydrophobicContact CD2-CD1 4.18Å; L301-L367 HydrophobicContact CD2-CG 4.2Å; L301-E524 WeakPolarHBondContact O-CG 3.48Å
302T77.1Confident63.9Low75 Ų7582.2 Ų82.246%0.4647%0.465SS..  trans-99.9150.5172.454.20000110.9L367T302-L367 WeakPolarHBondContact O-CB 3.21Å; T302-L367 PolarHBondContact O-N 3.35Å
303V79.3Confident66.4Low45 Ų4579.5 Ų79.527%0.27345%0.45SS..EExtended strand (participates in β ladder)trans-116.2119.7175.5-173.30000109.7L316 L367 L431V303-L316 HydrophobicContact CG1-CD2 3.84Å; V303-L367 CarbonylContact C-O 3.55Å; V303-L367 WeakPolarHBondContact CA-O 3.35Å; V303-L367 HydrophobicContact CB-CB 4.45Å; V303-L367 HydrophobicContact CG1-CB 4.4Å; V303-L367 HydrophobicContact CG2-CB 4.07Å; V303-L367 HydrophobicContact CG2-CD1 4.04Å; V303-L431 HydrophobicContact CG1-CD1 4.23Å
304K81.4Confident68.1Low152 Ų15275.8 Ų75.866%0.66144%0.437SS*.EExtended strand (participates in β ladder)trans-95.7126171.2-173.6176.9-179.3178.90109.5L367 V368 Y369K304-L367 PolarHBondContact N-O 3.25Å; K304-V368 CarbonylContact O-C 3.46Å; K304-V368 WeakPolarHBondContact O-CA 3.39Å; K304-Y369 PolarHBondContact O-N 2.93Å
305V83.1Confident70.3Confident80 Ų8077.9 Ų77.949%0.48544%0.441SS..EExtended strand (participates in β ladder)trans-98.7124.8178-177.60000109.7Y369V305-Y369 HydrophobicContact CG1-CD1 4.16Å
306N82.1Confident72.7Confident57 Ų5775.3 Ų75.331%0.30542%0.42SS..PPolyproline II helixtrans-75.8144.3173.3-166.1-1.3000110.7E308 V309 Y369 D370N306-E308 VanDerWaalsContact C-N 3.3Å; N306-E308 PolarHBondContact O-N 2.65Å; N306-V309 HydrophobicContact CB-CG2 4.18Å; N306-V309 WeakPolarHBondContact O-CB 3.4Å; N306-V309 WeakPolarHBondContact O-CG2 3.29Å; N306-V309 PolarHBondContact O-N 3.3Å; N306-Y369 PolarHBondContact N-O 3.43Å; N306-D370 PolarHBondContact ND2-OD1 3.32Å
307A76.9Confident75Confident65 Ų6568 Ų6854%0.53739%0.388SS..G310 helixtrans-63.7-34.7-175.900000112.8V309 K310A307-V309 PolarHBondContact O-N 3Å; A307-K310 WeakPolarHBondContact O-CB 3.22Å; A307-K310 VanDerWaalsContact O-CG 3.3Å; A307-K310 WeakPolarHBondContact O-CG 3.27Å; A307-K310 PolarHBondContact O-N 3.2Å
308E81.3Confident77.1Confident117 Ų11766.1 Ų66.155%0.54737%0.371SS..G310 helixtrans-65.8-17.5-178.8-62.9-177.4-170.400113.5N306 K310 V371N306-E308 VanDerWaalsContact C-N 3.3Å; N306-E308 PolarHBondContact O-N 2.65Å; E308-K310 PolarHBondContact O-N 2.69Å; E308-V371 HydrophobicContact CB-CG2 3.46Å; E308-V371 VanDerWaalsContact CB-CG2 3.46Å; E308-V371 WeakPolarHBondContact OE2-CG2 3.27Å
309V81.8Confident78.8Confident0 Ų060.3 Ų60.30%033%0.333CS..G310 helixtrans-66.7-23.3177.6-176.40000112N306 A307 D311 V312 R313 Y369 V371N306-V309 HydrophobicContact CB-CG2 4.18Å; N306-V309 WeakPolarHBondContact O-CB 3.4Å; N306-V309 WeakPolarHBondContact O-CG2 3.29Å; N306-V309 PolarHBondContact O-N 3.3Å; A307-V309 PolarHBondContact O-N 3Å; V309-D311 PolarHBondContact O-N 2.91Å; V309-V312 PolarHBondContact O-N 3.35Å; V309-V312 VanDerWaalsContact O-N 3.08Å; V309-R313 VanDerWaalsContact CG1-O 3.31Å; V309-R313 WeakPolarHBondContact CG1-O 3.49Å; V309-R313 CarbonylContact O-C 3.54Å; V309-R313 PolarHBondContact O-N 3.35Å; V309-Y369 HydrophobicContact CB-CD1 4.45Å; V309-Y369 HydrophobicContact CB-CE1 4.48Å; V309-Y369 HydrophobicContact CG1-CD1 3.66Å; V309-Y369 HydrophobicContact CG1-CE1 3.28Å; V309-Y369 HydrophobicContact CG1-CG 4.48Å; V309-Y369 HydrophobicContact CG2-CD1 4.37Å; V309-Y369 WeakPolarHBondContact CG2-O 3.1Å; V309-V371 HydrophobicContact CB-CG1 4.25Å; V309-V371 HydrophobicContact CG2-CG1 3.9Å
310K75.6Confident80.2Confident145 Ų14559.4 Ų59.463%0.6333%0.327SS*.G310 helixtrans-55.8-36.2-177.7-71.7179.5-179.8-178.90112.9A307 E308 V312 P314A307-K310 WeakPolarHBondContact O-CB 3.22Å; A307-K310 VanDerWaalsContact O-CG 3.3Å; A307-K310 WeakPolarHBondContact O-CG 3.27Å; A307-K310 PolarHBondContact O-N 3.2Å; E308-K310 PolarHBondContact O-N 2.69Å; K310-V312 VanDerWaalsContact C-N 3.33Å; K310-P314 WeakPolarHBondContact O-CD 3.06Å
311D78.7Confident81.4Confident150 Ų15055.2 Ų55.280%0.80229%0.293SS*.G310 helixtrans-85.7-8-174.8-58.7-40.3000113V309V309-D311 PolarHBondContact O-N 2.91Å
312V84.9Confident81.9Confident17 Ų1758.4 Ų58.410%0.10330%0.303CS..THydrogen-bonded Turntrans-114.9-52.2-174.8-172.10000112V309 K310 V371 V427 P429V309-V312 PolarHBondContact O-N 3.35Å; V309-V312 VanDerWaalsContact O-N 3.08Å; K310-V312 VanDerWaalsContact C-N 3.33Å; V312-V371 HydrophobicContact CB-CG1 4.2Å; V312-V371 HydrophobicContact CG2-CG1 3.93Å; V312-V427 HydrophobicContact CG2-CG2 3.67Å; V312-P429 HydrophobicContact CG1-CG 4.24Å
313R88.4Confident81.8Confident9 Ų956.7 Ų56.73%0.03430%0.301CS..  trans-159.978.1-178.5-163.6169.5-171.1810.4110.3V309 Y315 T354 Y369 P429 T464 S465 S466V309-R313 VanDerWaalsContact CG1-O 3.31Å; V309-R313 WeakPolarHBondContact CG1-O 3.49Å; V309-R313 CarbonylContact O-C 3.54Å; V309-R313 PolarHBondContact O-N 3.35Å; R313-Y315 PolarHBondContact O-N 3.4Å; R313-T354 PolarHBondContact NH2-OG1 3.05Å; R313-T354 VanDerWaalsContact NH2-OG1 3.12Å; R313-Y369 PolarHBondContact O-OH 3.44Å; R313-P429 HydrophobicContact CB-CB 4.25Å; R313-P429 HydrophobicContact CB-CG 4.11Å; R313-T464 PolarHBondContact NE-OG1 2.89Å; R313-T464 PolarHBondContact NH2-O 3.09Å; R313-S465 WeakPolarHBondContact CG-O 3.32Å; R313-S466 PolarHBondContact NH1-OG 2.98Å
314P82.1Confident81.9Confident47 Ų4754.9 Ų54.931%0.30529%0.289SS..  trans-68.4-24-163.920.9-32.1000115.9K310K310-P314 WeakPolarHBondContact O-CD 3.06Å
315Y86.9Confident81.8Confident85 Ų8549.2 Ų49.233%0.33327%0.269SS..EExtended strand (participates in β ladder)trans-102124.2-168.8-53.5-66.6000111.1R313 T464 S465 L469R313-Y315 PolarHBondContact O-N 3.4Å; Y315-T464 CarbonylContact O-C 3.55Å; Y315-T464 WeakPolarHBondContact O-CA 3.33Å; Y315-S465 WeakPolarHBondContact CD2-O 3.48Å; Y315-S465 PolarHBondContact N-O 3.43Å; Y315-S465 PolarHBondContact O-N 2.96Å; Y315-L469 HydrophobicContact CD1-CB 3.66Å; Y315-L469 HydrophobicContact CD1-CD1 4.48Å; Y315-L469 HydrophobicContact CE1-CB 4.07Å; Y315-L469 HydrophobicContact CG-CB 4.27Å
316L86.2Confident81.9Confident33 Ų3345.5 Ų45.517%0.17325%0.247CC..EExtended strand (participates in β ladder)trans-133.4132.6174.2175.369.1000109V303 Y369 E462 V463 T464V303-L316 HydrophobicContact CG1-CD2 3.84Å; L316-Y369 HydrophobicContact CB-CD1 3.97Å; L316-Y369 HydrophobicContact CB-CE1 3.91Å; L316-Y369 HydrophobicContact CD2-CD1 3.74Å; L316-Y369 HydrophobicContact CD2-CD2 4.31Å; L316-Y369 HydrophobicContact CD2-CE1 4.37Å; L316-Y369 HydrophobicContact CD2-CG 3.72Å; L316-Y369 HydrophobicContact CG-CD1 4.4Å; L316-E462 HydrophobicContact CD1-CB 4Å; L316-V463 WeakPolarHBondContact CA-O 3.41Å; L316-T464 HydrophobicContact CB-CG2 4.48Å; L316-T464 HydrophobicContact CD1-CG2 3.42Å; L316-T464 VanDerWaalsContact CD1-CG2 3.42Å
317V84.6Confident81.6Confident27 Ų2749 Ų4916%0.16426%0.259CS..EExtended strand (participates in β ladder)trans-126.1127.9169.3178.70000107.5E462 V463 L469 C472 M476V317-E462 CarbonylContact O-C 3.59Å; V317-E462 WeakPolarHBondContact O-CA 3.04Å; V317-V463 PolarHBondContact N-O 3.34Å; V317-V463 PolarHBondContact O-N 3.09Å; V317-L469 HydrophobicContact CG2-CD1 3.7Å; V317-C472 HydrophobicContact CB-CB 4.11Å; V317-C472 HydrophobicContact CG2-CB 3.48Å; V317-C472 VanDerWaalsContact CG2-CB 3.48Å; V317-M476 HydrophobicContact CB-CE 4.28Å; V317-M476 HydrophobicContact CG1-CE 3.82Å; V317-M476 HydrophobicContact CG1-CG 4.36Å; V317-M476 VanDerWaalsContact O-CE 3.28Å; V317-M476 WeakPolarHBondContact O-CE 3.44Å
318C82.5Confident81.4Confident19 Ų1947.5 Ų47.513%0.12824%0.244CC..EExtended strand (participates in β ladder)trans-123.3144.6176.7-60.40000111L460 I461C318-L460 HydrophobicContact CB-CD1 4.47Å; C318-I461 CarbonylContact C-O 3.23Å; C318-I461 WeakPolarHBondContact CA-O 3.43Å
319C82.6Confident81.3Confident8 Ų844.8 Ų44.85%0.05425%0.247CC..EExtended strand (participates in β ladder)trans-143.8153.3167.371.50000111I461 M476 V521C319-I461 PolarHBondContact N-O 3.16Å; C319-I461 PolarHBondContact O-N 3.11Å; C319-M476 PolarHBondContact SG-SD 2.84Å; C319-V521 HydrophobicContact CB-CG1 4.17Å
320L81.8Confident81.3Confident6 Ų650 Ų503%0.03128%0.275CS..EExtended strand (participates in β ladder)trans-100.9124.3171.1-173.970.4000108.5R322 A360 V521 Q522L320-R322 HydrophobicContact CD2-CG 4.28Å; L320-R322 HydrophobicContact CG-CG 4.28Å; L320-A360 HydrophobicContact CD1-CB 3.45Å; L320-A360 VanDerWaalsContact CD1-CB 3.45Å; L320-V521 WeakPolarHBondContact O-CA 3.49Å; L320-Q522 HydrophobicContact CB-CB 4.44Å; L320-Q522 PolarHBondContact N-O 2.91Å; L320-Q522 PolarHBondContact O-N 3.49Å
321V82.4Confident81.7Confident3 Ų343.6 Ų43.62%0.01825%0.249CC..EExtended strand (participates in β ladder)trans-111.4117.2176.7-176.70000108.9E458 L459 I461 M483 L519 V521V321-E458 WeakPolarHBondContact O-CA 3.46Å; V321-L459 PolarHBondContact N-O 2.7Å; V321-L459 PolarHBondContact O-N 3.31Å; V321-I461 HydrophobicContact CB-CD1 4.36Å; V321-I461 HydrophobicContact CG2-CD1 3.52Å; V321-I461 HydrophobicContact CG2-CG1 4.25Å; V321-M483 HydrophobicContact CB-CE 4.03Å; V321-M483 HydrophobicContact CG1-CE 3.75Å; V321-M483 HydrophobicContact CG2-CE 4.31Å; V321-L519 HydrophobicContact CG1-CD2 3.53Å; V321-V521 HydrophobicContact CG2-CG2 4.38Å
322R80.4Confident82.1Confident86 Ų8637.9 Ų37.933%0.32522%0.218SC..EExtended strand (participates in β ladder)trans-108.3151.3177.9-57.8-172.3-179.4153.39.2111L320 E458 I520L320-R322 HydrophobicContact CD2-CG 4.28Å; L320-R322 HydrophobicContact CG-CG 4.28Å; R322-E458 HydrophobicContact CB-CG 4.38Å; R322-E458 WeakPolarHBondContact CD-OE1 3.46Å; R322-E458 HydrophobicContact CG-CG 3.99Å; R322-E458 IonicContact NE-OE1 3.98Å; R322-E458 IonicContact NE-OE2 2.7Å; R322-I520 HydrophobicContact CB-CB 4.41Å; R322-I520 PolarHBondContact N-O 3.42Å; R322-I520 PolarHBondContact O-N 3.02Å; R322-I520 VanDerWaalsContact O-N 3.12Å
323G74.9Confident82.3Confident40 Ų4043.5 Ų43.541%0.41224%0.241SC..  trans87.621.6175.900000113.9T457 N487G323-T457 PolarHBondContact N-O 2.79Å; G323-N487 PolarHBondContact O-ND2 3.02Å
324M80.8Confident82.1Confident6 Ų648.1 Ų48.13%0.0326%0.259CS..  trans-86.4125.6179.3-150.2-76.9-111.300110.9L326 F335 T457 L459 M483 L519M324-L326 HydrophobicContact CE-CD1 3.69Å; M324-L326 HydrophobicContact CE-CD2 3.04Å; M324-L326 HydrophobicContact CE-CG 3.27Å; M324-L326 HydrophobicContact SD-CD1 4.42Å; M324-L326 HydrophobicContact SD-CD2 3.6Å; M324-L326 HydrophobicContact SD-CG 3.52Å; M324-L326 VanDerWaalsContact SD-CG 3.52Å; M324-F335 HydrophobicContact CE-CB 4.36Å; M324-F335 HydrophobicContact CE-CD1 4.22Å; M324-F335 HydrophobicContact CE-CD2 3.87Å; M324-F335 HydrophobicContact CE-CE1 4.5Å; M324-F335 HydrophobicContact CE-CE2 4.21Å; M324-F335 HydrophobicContact CE-CG 3.87Å; M324-F335 HydrophobicContact CE-CZ 4.49Å; M324-T457 PolarHBondContact N-O 3.06Å; M324-L459 HydrophobicContact CB-CD1 3.95Å; M324-L459 HydrophobicContact CE-CD1 3.52Å; M324-L459 HydrophobicContact CG-CD1 3.93Å; M324-L459 HydrophobicContact SD-CD1 4.49Å; M324-M483 HydrophobicContact CE-CE 4.39Å; M324-M483 HydrophobicContact CG-CE 4.01Å; M324-L519 HydrophobicContact CB-CD2 4.42Å; M324-L519 HydrophobicContact CG-CD2 4.5Å
325S79.9Confident82.5Confident34 Ų3446 Ų4624%0.23825%0.245CC..  trans-96.699.3179.4-169.80000112P328 N487S325-P328 WeakPolarHBondContact OG-CD 3.44Å; S325-N487 WeakPolarHBondContact CB-OD1 3.46Å; S325-N487 PolarHBondContact N-OD1 3.3Å
326L84.9Confident82.6Confident2 Ų245.3 Ų45.31%0.0125%0.246CC..  trans-94.2-7178.1-77.5177.4000115.1M324 L332 F335 K454M324-L326 HydrophobicContact CE-CD1 3.69Å; M324-L326 HydrophobicContact CE-CD2 3.04Å; M324-L326 HydrophobicContact CE-CG 3.27Å; M324-L326 HydrophobicContact SD-CD1 4.42Å; M324-L326 HydrophobicContact SD-CD2 3.6Å; M324-L326 HydrophobicContact SD-CG 3.52Å; M324-L326 VanDerWaalsContact SD-CG 3.52Å; L326-L332 HydrophobicContact CD1-CD1 4.01Å; L326-L332 HydrophobicContact CD2-CB 4.12Å; L326-L332 HydrophobicContact CD2-CD1 4.03Å; L326-F335 HydrophobicContact CD2-CB 4.16Å; L326-F335 HydrophobicContact CD2-CG 4.44Å; L326-K454 CarbonylContact C-O 3.49Å; L326-K454 VanDerWaalsContact C-O 3.29Å; L326-K454 WeakPolarHBondContact CB-O 3.32Å
327K76.5Confident82.7Confident130 Ų13049.4 Ų49.457%0.56527%0.266SS*.  trans-71.7-47-174.5-65-178.2-179.7177.70113.7G329 K454K327-G329 PolarHBondContact O-N 3.38Å; K327-K454 WeakPolarHBondContact CA-O 3.32Å; K327-K454 WeakPolarHBondContact CG-O 3.39Å; K327-K454 PolarHBondContact N-O 3.38Å; K327-K454 VanDerWaalsContact N-O 3.16Å
328P72.1Confident82.9Confident34 Ų3449 Ų4922%0.22127%0.265CS..SBendtrans-66.4128-169.6-23.435.6000113.7S325 N330 A331 Q494S325-P328 WeakPolarHBondContact OG-CD 3.44Å; P328-N330 PolarHBondContact O-N 2.93Å; P328-N330 VanDerWaalsContact O-N 3.15Å; P328-A331 VanDerWaalsContact O-CB 3.23Å; P328-A331 WeakPolarHBondContact O-CB 3.48Å; P328-A331 PolarHBondContact O-N 3.45Å; P328-Q494 HydrophobicContact CG-CG 4.24Å
329G78.6Confident83.3Confident59 Ų5949 Ų4961%0.60826%0.263SS*.THydrogen-bonded Turntrans47.5-115.8171.500000114.5K327K327-G329 PolarHBondContact O-N 3.38Å
330N83.2Confident83.6Confident111 Ų11152 Ų5259%0.59428%0.282SS*.THydrogen-bonded Turntrans-103.818.7-176.5-74-36.6000113.7P328 L332 K333 R334P328-N330 PolarHBondContact O-N 2.93Å; P328-N330 VanDerWaalsContact O-N 3.15Å; N330-L332 PolarHBondContact O-N 3.22Å; N330-K333 PolarHBondContact O-N 3.29Å; N330-K333 VanDerWaalsContact O-N 3.15Å; N330-R334 PolarHBondContact O-N 2.87Å
331A83.6Confident83.9Confident10 Ų1057.4 Ų57.48%0.08331%0.305CS..Hα-helixtrans-54.5-50.2-17600000113.1P328 K333 R334 F335 T490P328-A331 VanDerWaalsContact O-CB 3.23Å; P328-A331 WeakPolarHBondContact O-CB 3.48Å; P328-A331 PolarHBondContact O-N 3.45Å; A331-K333 VanDerWaalsContact C-N 3.31Å; A331-K333 PolarHBondContact O-N 2.74Å; A331-R334 PolarHBondContact O-N 3.37Å; A331-R334 VanDerWaalsContact O-N 3.12Å; A331-F335 PolarHBondContact O-N 2.66Å; A331-T490 HydrophobicContact CB-CG2 3.71Å
332L87.5Confident84.2Confident29 Ų2958.3 Ų58.315%0.15231%0.31CS..Hα-helixtrans-57.5-41.4176.8179.261.7000113.2L326 N330 F335 L336 I452 K454L326-L332 HydrophobicContact CD1-CD1 4.01Å; L326-L332 HydrophobicContact CD2-CB 4.12Å; L326-L332 HydrophobicContact CD2-CD1 4.03Å; N330-L332 PolarHBondContact O-N 3.22Å; L332-F335 PolarHBondContact O-N 3.08Å; L332-L336 HydrophobicContact CD1-CD1 4.33Å; L332-L336 HydrophobicContact CD1-CG 4.37Å; L332-L336 HydrophobicContact CG-CD1 4.24Å; L332-L336 WeakPolarHBondContact O-CG 3.46Å; L332-L336 PolarHBondContact O-N 3.49Å; L332-I452 HydrophobicContact CD1-CD1 3.69Å; L332-I452 HydrophobicContact CD1-CG1 3.95Å; L332-K454 HydrophobicContact CB-CG 4.41Å; L332-K454 HydrophobicContact CD2-CG 3.95Å
333K87.4Confident84.7Confident136 Ų13654.6 Ų54.659%0.59130%0.296SS*.Hα-helixtrans-65-41.7177.9-174.2177.2-179.6177.50111N330 A331 L336 M337N330-K333 PolarHBondContact O-N 3.29Å; N330-K333 VanDerWaalsContact O-N 3.15Å; A331-K333 VanDerWaalsContact C-N 3.31Å; A331-K333 PolarHBondContact O-N 2.74Å; K333-L336 PolarHBondContact O-N 2.65Å; K333-M337 HydrophobicContact CG-SD 4.35Å; K333-M337 WeakPolarHBondContact O-CB 3.47Å; K333-M337 VanDerWaalsContact O-CG 3.26Å; K333-M337 WeakPolarHBondContact O-CG 3.5Å; K333-M337 PolarHBondContact O-N 2.91Å
334R85.3Confident85.2Confident105 Ų10555.8 Ų55.840%0.39629%0.293SS..Hα-helixtrans-66-40.5177.3-70.5179.4172.3-172.40.4112.1N330 A331 M337 A338 L486N330-R334 PolarHBondContact O-N 2.87Å; A331-R334 PolarHBondContact O-N 3.37Å; A331-R334 VanDerWaalsContact O-N 3.12Å; R334-M337 PolarHBondContact O-N 2.89Å; R334-A338 PolarHBondContact O-N 2.75Å; R334-L486 HydrophobicContact CB-CD2 3.79Å
335F90.4Very high85.5Confident2 Ų260.5 Ų60.51%0.00932%0.319CS..Hα-helixtrans-59.5-50.1173.6176.5-110.9000111.8M324 L326 A331 L332 M337 A338 Q339 T357 I452 L459 L479 M483 L486M324-F335 HydrophobicContact CE-CB 4.36Å; M324-F335 HydrophobicContact CE-CD1 4.22Å; M324-F335 HydrophobicContact CE-CD2 3.87Å; M324-F335 HydrophobicContact CE-CE1 4.5Å; M324-F335 HydrophobicContact CE-CE2 4.21Å; M324-F335 HydrophobicContact CE-CG 3.87Å; M324-F335 HydrophobicContact CE-CZ 4.49Å; L326-F335 HydrophobicContact CD2-CB 4.16Å; L326-F335 HydrophobicContact CD2-CG 4.44Å; A331-F335 PolarHBondContact O-N 2.66Å; L332-F335 PolarHBondContact O-N 3.08Å; F335-M337 VanDerWaalsContact C-N 3.3Å; F335-M337 PolarHBondContact O-N 2.93Å; F335-A338 WeakPolarHBondContact O-CB 3.43Å; F335-A338 PolarHBondContact O-N 3.32Å; F335-A338 VanDerWaalsContact O-N 3.16Å; F335-Q339 PolarHBondContact O-N 3.15Å; F335-T357 HydrophobicContact CE1-CG2 4.29Å; F335-T357 HydrophobicContact CZ-CG2 3.87Å; F335-I452 HydrophobicContact CD1-CD1 3.69Å; F335-I452 HydrophobicContact CE1-CD1 3.53Å; F335-L459 HydrophobicContact CZ-CD1 4.31Å; F335-L479 HydrophobicContact CE2-CD1 4.37Å; F335-M483 HydrophobicContact CD2-CG 4.02Å; F335-M483 HydrophobicContact CE2-CE 4.02Å; F335-M483 HydrophobicContact CE2-CG 3.51Å; F335-M483 HydrophobicContact CE2-SD 3.77Å; F335-M483 HydrophobicContact CZ-CE 4.34Å; F335-M483 HydrophobicContact CZ-SD 4.35Å; F335-L486 HydrophobicContact CB-CD1 4.1Å; F335-L486 HydrophobicContact CD2-CD1 4.23Å
336L89.8Confident85.8Confident71 Ų7162.4 Ų62.437%0.37233%0.325SS..Hα-helixtrans-61.8-36.2176.7-71.4173.2000112.8L332 K333 T340 I452L332-L336 HydrophobicContact CD1-CD1 4.33Å; L332-L336 HydrophobicContact CD1-CG 4.37Å; L332-L336 HydrophobicContact CG-CD1 4.24Å; L332-L336 WeakPolarHBondContact O-CG 3.46Å; L332-L336 PolarHBondContact O-N 3.49Å; K333-L336 PolarHBondContact O-N 2.65Å; L336-T340 PolarHBondContact O-N 3.17Å; L336-T340 PolarHBondContact O-OG1 3.15Å; L336-I452 HydrophobicContact CD2-CD1 3.75Å; L336-I452 HydrophobicContact CG-CD1 4.34Å
337M87.8Confident85.9Confident119 Ų11962.3 Ų62.359%0.58633%0.325SS*.Hα-helixtrans-67.4-40.9174.3-75.6-179.667.100112.2K333 R334 F335 Q339 T340 K341K333-M337 HydrophobicContact CG-SD 4.35Å; K333-M337 WeakPolarHBondContact O-CB 3.47Å; K333-M337 VanDerWaalsContact O-CG 3.26Å; K333-M337 WeakPolarHBondContact O-CG 3.5Å; K333-M337 PolarHBondContact O-N 2.91Å; R334-M337 PolarHBondContact O-N 2.89Å; F335-M337 VanDerWaalsContact C-N 3.3Å; F335-M337 PolarHBondContact O-N 2.93Å; M337-Q339 VanDerWaalsContact C-N 3.35Å; M337-T340 PolarHBondContact O-N 2.73Å; M337-K341 WeakPolarHBondContact O-CB 3.44Å; M337-K341 PolarHBondContact O-N 3.25Å
338A87.8Confident86.3Confident18 Ų1857.2 Ų57.215%0.14931%0.309CS..Hα-helixtrans-62.2-43.3175.500000111.3R334 F335 T340 K341 L342 L486R334-A338 PolarHBondContact O-N 2.75Å; F335-A338 WeakPolarHBondContact O-CB 3.43Å; F335-A338 PolarHBondContact O-N 3.32Å; F335-A338 VanDerWaalsContact O-N 3.16Å; A338-T340 PolarHBondContact O-N 3.22Å; A338-K341 PolarHBondContact O-N 2.99Å; A338-L342 WeakPolarHBondContact O-CG 3.44Å; A338-L342 PolarHBondContact O-N 3.02Å; A338-L486 HydrophobicContact CB-CD1 4.49Å
339Q90.9Very high87Confident19 Ų1961.5 Ų61.59%0.08932%0.321CS..Hα-helixtrans-60.4-45.2173.9-173.3-179.112.100111.8F335 M337 K341 L342 H343 I355 T357F335-Q339 PolarHBondContact O-N 3.15Å; M337-Q339 VanDerWaalsContact C-N 3.35Å; Q339-K341 VanDerWaalsContact C-N 3.32Å; Q339-K341 PolarHBondContact O-N 2.92Å; Q339-L342 PolarHBondContact O-N 3.03Å; Q339-H343 PolarHBondContact O-CD2 2.88Å; Q339-H343 PolarHBondContact O-N 2.76Å; Q339-I355 HydrophobicContact CG-CB 4.3Å; Q339-I355 HydrophobicContact CG-CG2 3.96Å; Q339-I355 PolarHBondContact NE2-O 3.07Å; Q339-T357 PolarHBondContact NE2-OG1 3.22Å; Q339-T357 PolarHBondContact OE1-OG1 2.97Å
340T89.3Confident87.5Confident73 Ų7362 Ų6245%0.44831%0.305SS..Hα-helixtrans-62.3-40.8178.1-560000111.5L336 M337 A338 H343 D344L336-T340 PolarHBondContact O-N 3.17Å; L336-T340 PolarHBondContact O-OG1 3.15Å; M337-T340 PolarHBondContact O-N 2.73Å; A338-T340 PolarHBondContact O-N 3.22Å; T340-H343 WeakPolarHBondContact O-CB 3.47Å; T340-H343 PolarHBondContact O-N 2.96Å; T340-D344 PolarHBondContact O-N 2.91Å; T340-D344 VanDerWaalsContact O-N 3.1Å
341K89.1Confident87.6Confident119 Ų11958.8 Ų58.852%0.51729%0.289SS..Hα-helixtrans-64.5-44.8176.8-173.3178.2179.6-173.90112.1M337 A338 Q339 H343 D344 D345M337-K341 WeakPolarHBondContact O-CB 3.44Å; M337-K341 PolarHBondContact O-N 3.25Å; A338-K341 PolarHBondContact O-N 2.99Å; Q339-K341 VanDerWaalsContact C-N 3.32Å; Q339-K341 PolarHBondContact O-N 2.92Å; K341-H343 PolarHBondContact O-N 2.77Å; K341-D344 PolarHBondContact O-N 2.74Å; K341-D344 VanDerWaalsContact O-N 3.13Å; K341-D345 WeakPolarHBondContact CE-OD2 3.28Å; K341-D345 WeakPolarHBondContact CG-OD2 3.2Å; K341-D345 WeakPolarHBondContact O-CB 3.31Å; K341-D345 PolarHBondContact O-N 2.83Å
342L89Confident87.8Confident22 Ų2261.2 Ų61.212%0.11530%0.3CS..Hα-helixtrans-63.1-33.2175.8-72.3171000112.3A338 Q339 L346 C347 I355 A478 L479A338-L342 WeakPolarHBondContact O-CG 3.44Å; A338-L342 PolarHBondContact O-N 3.02Å; Q339-L342 PolarHBondContact O-N 3.03Å; L342-L346 PolarHBondContact O-N 3.26Å; L342-L346 VanDerWaalsContact O-N 3.12Å; L342-C347 PolarHBondContact O-N 3.47Å; L342-C347 PolarHBondContact O-SG 3.25Å; L342-I355 HydrophobicContact CB-CD1 3.59Å; L342-I355 HydrophobicContact CD1-CD1 4.22Å; L342-A478 HydrophobicContact CD2-CB 3.89Å; L342-L479 HydrophobicContact CD1-CB 3.9Å; L342-L479 HydrophobicContact CD1-CD1 3.74Å; L342-L479 HydrophobicContact CD1-CG 4.43Å
343H89.9Confident87.9Confident7 Ų759.9 Ų59.93%0.03229%0.293CS..Hα-helixtrans-63.7-40.6172.5-86-64.2000112.8Q339 T340 K341 C347 R349 R350 I355Q339-H343 PolarHBondContact O-CD2 2.88Å; Q339-H343 PolarHBondContact O-N 2.76Å; T340-H343 WeakPolarHBondContact O-CB 3.47Å; T340-H343 PolarHBondContact O-N 2.96Å; K341-H343 PolarHBondContact O-N 2.77Å; H343-C347 WeakPolarHBondContact O-CB 3.14Å; H343-R349 WeakPolarHBondContact O-CA 3.31Å; H343-R349 PolarHBondContact O-N 3.36Å; H343-R350 HydrophobicContact CB-CG 4.26Å; H343-R350 WeakPolarHBondContact ND1-CG 3.36Å; H343-R350 PolarHBondContact O-N 2.98Å; H343-I355 PolarHBondContact CE1-N 2.8Å; H343-I355 PolarHBondContact CE1-O 3.07Å; H343-I355 PolarHBondContact NE2-O 3.28Å
344D85.4Confident88.2Confident66 Ų6653.8 Ų53.835%0.35327%0.267SS..Hα-helixtrans-73.9-39.3179.7-78.3-23.5000112.6T340 K341 L415T340-D344 PolarHBondContact O-N 2.91Å; T340-D344 VanDerWaalsContact O-N 3.1Å; K341-D344 PolarHBondContact O-N 2.74Å; K341-D344 VanDerWaalsContact O-N 3.13Å; D344-L415 VanDerWaalsContact OD1-CD1 3.31Å; D344-L415 WeakPolarHBondContact OD1-CD1 3.17Å
345D87.3Confident88.7Confident105 Ų10548.9 Ų48.956%0.56125%0.249SC*.THydrogen-bonded Turntrans-85.4-81.8-175.1-64.2-19000110.9K341 C347 G348K341-D345 WeakPolarHBondContact CE-OD2 3.28Å; K341-D345 WeakPolarHBondContact CG-OD2 3.2Å; K341-D345 WeakPolarHBondContact O-CB 3.31Å; K341-D345 PolarHBondContact O-N 2.83Å; D345-C347 PolarHBondContact O-N 3.44Å; D345-G348 PolarHBondContact O-N 3.03Å
346L86.6Confident88.9Confident73 Ų7348.8 Ų48.838%0.38225%0.248SC..THydrogen-bonded Turntrans-75.2-28.3-168.6-167.661.7000113L342 G348 D474 V475 A478L342-L346 PolarHBondContact O-N 3.26Å; L342-L346 VanDerWaalsContact O-N 3.12Å; L346-G348 VanDerWaalsContact C-N 3.32Å; L346-D474 HydrophobicContact CD2-CB 4.37Å; L346-V475 HydrophobicContact CB-CG2 4.2Å; L346-V475 HydrophobicContact CD2-CB 4.18Å; L346-V475 HydrophobicContact CD2-CG2 3.51Å; L346-V475 HydrophobicContact CG-CG2 3.61Å; L346-A478 HydrophobicContact CD2-CB 4.23Å
347C86.5Confident89.1Confident0 Ų045.8 Ų45.80%023%0.233CC..THydrogen-bonded Turntrans-88.12.5-179.7-53.80000113.8L342 H343 D345 R349 R350 T351 I352 A353L342-C347 PolarHBondContact O-N 3.47Å; L342-C347 PolarHBondContact O-SG 3.25Å; H343-C347 WeakPolarHBondContact O-CB 3.14Å; D345-C347 PolarHBondContact O-N 3.44Å; C347-R349 PolarHBondContact O-N 3.05Å; C347-R350 PolarHBondContact O-N 2.8Å; C347-T351 PolarHBondContact O-N 3.24Å; C347-I352 PolarHBondContact O-N 3.2Å; C347-A353 HydrophobicContact CB-CB 4.06Å; C347-A353 WeakPolarHBondContact CB-O 3.4Å; C347-A353 PolarHBondContact O-N 3.05Å
348G85.2Confident89.4Confident23 Ų2340.1 Ų40.124%0.23721%0.205CC..THydrogen-bonded Turntrans59.744.8-18000000113D345 L346 R350 T351D345-G348 PolarHBondContact O-N 3.03Å; L346-G348 VanDerWaalsContact C-N 3.32Å; G348-R350 PolarHBondContact O-N 2.78Å; G348-T351 WeakPolarHBondContact O-CB 3.1Å; G348-T351 PolarHBondContact O-N 2.94Å; G348-T351 PolarHBondContact O-OG1 3.07Å
349R86.5Confident89.7Confident124 Ų12439.6 Ų39.647%0.46820%0.2SC..THydrogen-bonded Turntrans5648.4-174.7-55.4179.7-172.4-178.81.8112.6H343 C347 T351 G414H343-R349 WeakPolarHBondContact O-CA 3.31Å; H343-R349 PolarHBondContact O-N 3.36Å; C347-R349 PolarHBondContact O-N 3.05Å; R349-T351 PolarHBondContact O-N 3.15Å; R349-G414 WeakPolarHBondContact CD-O 3.37Å
350R88.3Confident89.6Confident71 Ų7139 Ų3927%0.26820%0.198SC..THydrogen-bonded Turntrans66.94.1-177.6-56.2177.9-177.7-171.22.7116H343 C347 G348 A353 Y418 P443 I444H343-R350 HydrophobicContact CB-CG 4.26Å; H343-R350 WeakPolarHBondContact ND1-CG 3.36Å; H343-R350 PolarHBondContact O-N 2.98Å; C347-R350 PolarHBondContact O-N 2.8Å; G348-R350 PolarHBondContact O-N 2.78Å; R350-A353 CarbonylContact C-O 3.17Å; R350-A353 VanDerWaalsContact CA-O 3.29Å; R350-A353 WeakPolarHBondContact CA-O 3.1Å; R350-Y418 HydrophobicContact CB-CD1 4.14Å; R350-Y418 HydrophobicContact CB-CG 4.12Å; R350-P443 HydrophobicContact CB-CB 4.44Å; R350-I444 PolarHBondContact NH1-O 2.92Å
351T86.8Confident89.6Confident42 Ų4241.7 Ų41.726%0.25821%0.206SC..THydrogen-bonded Turntrans-79.9-31.4-177.7630000112.9C347 G348 R349 K417 L421C347-T351 PolarHBondContact O-N 3.24Å; G348-T351 WeakPolarHBondContact O-CB 3.1Å; G348-T351 PolarHBondContact O-N 2.94Å; G348-T351 PolarHBondContact O-OG1 3.07Å; R349-T351 PolarHBondContact O-N 3.15Å; T351-K417 HydrophobicContact CG2-CB 4.14Å; T351-L421 HydrophobicContact CG2-CD1 4.29Å; T351-L421 WeakPolarHBondContact O-CD1 3.47Å
352I86.8Confident89.7Confident62 Ų6239.4 Ų39.432%0.31820%0.199SC..SBendtrans-97-49.6-175.4-54.8176.8000110.2C347 S465 T467 T471C347-I352 PolarHBondContact O-N 3.2Å; I352-S465 WeakPolarHBondContact O-CA 3.47Å; I352-S465 WeakPolarHBondContact O-CB 3.39Å; I352-S465 PolarHBondContact O-OG 3.1Å; I352-T467 HydrophobicContact CG2-CG2 4.19Å; I352-T467 VanDerWaalsContact CG2-OG1 3.23Å; I352-T467 WeakPolarHBondContact CG2-OG1 3.41Å; I352-T471 HydrophobicContact CG2-CG2 3.88Å
353A91Very high89.7Confident0 Ų039 Ų390%020%0.197CC..EExtended strand (participates in β ladder)trans-134164.8179.500000111C347 R350 V463 T464 T471 V475C347-A353 HydrophobicContact CB-CB 4.06Å; C347-A353 WeakPolarHBondContact CB-O 3.4Å; C347-A353 PolarHBondContact O-N 3.05Å; R350-A353 CarbonylContact C-O 3.17Å; R350-A353 VanDerWaalsContact CA-O 3.29Å; R350-A353 WeakPolarHBondContact CA-O 3.1Å; A353-V463 HydrophobicContact CB-CG1 4.37Å; A353-T464 CarbonylContact C-O 3.6Å; A353-T464 VanDerWaalsContact CA-O 3.22Å; A353-T464 WeakPolarHBondContact CA-O 3.33Å; A353-T471 HydrophobicContact CB-CG2 4.06Å; A353-V475 HydrophobicContact CB-CG2 4.2Å
354T93.3Very high89.6Confident8 Ų843.6 Ų43.65%0.04922%0.217CC..EExtended strand (participates in β ladder)trans-142117.2176.1-52.70000109R313 P443 V463 T464R313-T354 PolarHBondContact NH2-OG1 3.05Å; R313-T354 VanDerWaalsContact NH2-OG1 3.12Å; T354-P443 HydrophobicContact CG2-CB 4.38Å; T354-P443 VanDerWaalsContact OG1-CB 3.25Å; T354-P443 WeakPolarHBondContact OG1-CB 3.3Å; T354-V463 WeakPolarHBondContact O-CA 3.46Å; T354-T464 PolarHBondContact N-O 3.32Å; T354-T464 PolarHBondContact O-N 3.09Å
355I94.5Very high89.4Confident3 Ų341.9 Ų41.92%0.01522%0.215CC..EExtended strand (participates in β ladder)trans-83.9127.8170-51.9167.9000109.8Q339 L342 H343 T357 V463 V475 L479Q339-I355 HydrophobicContact CG-CB 4.3Å; Q339-I355 HydrophobicContact CG-CG2 3.96Å; Q339-I355 PolarHBondContact NE2-O 3.07Å; L342-I355 HydrophobicContact CB-CD1 3.59Å; L342-I355 HydrophobicContact CD1-CD1 4.22Å; H343-I355 PolarHBondContact CE1-N 2.8Å; H343-I355 PolarHBondContact CE1-O 3.07Å; H343-I355 PolarHBondContact NE2-O 3.28Å; I355-T357 HydrophobicContact CG2-CG2 4.3Å; I355-V463 HydrophobicContact CG1-CG2 4.38Å; I355-V475 HydrophobicContact CD1-CG1 3.57Å; I355-V475 HydrophobicContact CG1-CG1 3.35Å; I355-L479 HydrophobicContact CG2-CD2 3.56Å
356A94.4Very high89.3Confident0 Ų040.4 Ų40.40%021%0.211CC..EExtended strand (participates in β ladder)trans-130.3138170.300000110N446 E462A356-N446 WeakPolarHBondContact CB-ND2 3.43Å; A356-N446 WeakPolarHBondContact CB-OD1 3.14Å; A356-E462 HydrophobicContact CB-CG 3.49Å; A356-E462 VanDerWaalsContact CB-CG 3.49Å; A356-E462 WeakPolarHBondContact CB-OE1 3.24Å; A356-E462 PolarHBondContact N-O 3.26Å; A356-E462 PolarHBondContact O-N 3.46Å
357T94.7Very high89.3Confident8 Ų836.9 Ų36.95%0.04919%0.193CC..EExtended strand (participates in β ladder)trans-127.7133.9-173.547.80000109F335 Q339 I355 N446 I461 L479F335-T357 HydrophobicContact CE1-CG2 4.29Å; F335-T357 HydrophobicContact CZ-CG2 3.87Å; Q339-T357 PolarHBondContact NE2-OG1 3.22Å; Q339-T357 PolarHBondContact OE1-OG1 2.97Å; I355-T357 HydrophobicContact CG2-CG2 4.3Å; T357-N446 PolarHBondContact N-ND2 3Å; T357-N446 PolarHBondContact O-ND2 3.4Å; T357-I461 HydrophobicContact CG2-CG1 4.42Å; T357-I461 HydrophobicContact CG2-CG2 4.38Å; T357-L479 HydrophobicContact CG2-CD2 4.42Å
358H93.9Very high89.3Confident0 Ų039.3 Ų39.30%021%0.207CC..EExtended strand (participates in β ladder)trans-132.2143.7-172.2-55.8-88000109.7A360 V363 I439 N446 T450 L459 L460 E462H358-A360 PolarHBondContact O-N 3.27Å; H358-V363 HydrophobicContact CB-CG2 3.95Å; H358-I439 PolarHBondContact CE1-O 2.87Å; H358-I439 VanDerWaalsContact CE1-O 3.27Å; H358-N446 PolarHBondContact CE1-ND2 3.14Å; H358-T450 WeakPolarHBondContact CA-O 3.21Å; H358-T450 PolarHBondContact ND1-OG1 2.83Å; H358-L459 WeakPolarHBondContact O-CA 3.28Å; H358-L460 HydrophobicContact CB-CB 4.18Å; H358-L460 PolarHBondContact N-O 2.95Å; H358-L460 PolarHBondContact O-N 3.09Å; H358-E462 IonicContact NE2-OE1 3.09Å
359D93.5Very high89.6Confident6 Ų638.2 Ų38.23%0.03220%0.196CC..EExtended strand (participates in β ladder)trans-69.9111.7165.8-170.4-31.9000108.5Q361 L362 V363 T450 T456D359-Q361 PolarHBondContact O-N 3.07Å; D359-Q361 WeakPolarHBondContact OD1-CB 3.46Å; D359-Q361 PolarHBondContact OD1-N 2.73Å; D359-Q361 VanDerWaalsContact OD1-N 3.11Å; D359-L362 HydrophobicContact CB-CB 4.39Å; D359-L362 HydrophobicContact CB-CD1 3.91Å; D359-L362 HydrophobicContact CB-CG 4.02Å; D359-L362 PolarHBondContact O-N 3.4Å; D359-V363 WeakPolarHBondContact O-CG2 3.47Å; D359-T450 PolarHBondContact N-O 3.25Å; D359-T456 HydrophobicContact CB-CG2 3.87Å; D359-T456 VanDerWaalsContact CG-CG2 3.45Å; D359-T456 WeakPolarHBondContact OD2-CB 3.35Å; D359-T456 WeakPolarHBondContact OD2-CG2 3.43Å; D359-T456 PolarHBondContact OD2-OG1 3.03Å
360A88.8Confident89.7Confident7 Ų733.7 Ų33.76%0.05818%0.181CC..G310 helixtrans-63.3-27.1-172.700000112.7L320 H358 L362 V363 E458 L460L320-A360 HydrophobicContact CD1-CB 3.45Å; L320-A360 VanDerWaalsContact CD1-CB 3.45Å; H358-A360 PolarHBondContact O-N 3.27Å; A360-L362 PolarHBondContact O-N 3.13Å; A360-V363 PolarHBondContact O-N 2.79Å; A360-E458 HydrophobicContact CB-CB 3.87Å; A360-E458 WeakPolarHBondContact CB-O 3.45Å; A360-E458 PolarHBondContact N-O 2.8Å; A360-L460 HydrophobicContact CB-CB 4.3Å
361Q89.3Confident89.9Confident129 Ų12930.7 Ų30.760%0.60317%0.171SC*.G310 helixtrans-70.9-21.5178.9-61.9-179.31.800112.6D359 T457D359-Q361 PolarHBondContact O-N 3.07Å; D359-Q361 WeakPolarHBondContact OD1-CB 3.46Å; D359-Q361 PolarHBondContact OD1-N 2.73Å; D359-Q361 VanDerWaalsContact OD1-N 3.11Å; Q361-T457 PolarHBondContact NE2-OG1 3.17Å
362L91.3Very high90.3Very high72 Ų7231.8 Ų31.838%0.37717%0.17SC..G310 helixtrans-92.2-6.2178.5-57.4-179.1000112.4D359 A360 K449D359-L362 HydrophobicContact CB-CB 4.39Å; D359-L362 HydrophobicContact CB-CD1 3.91Å; D359-L362 HydrophobicContact CB-CG 4.02Å; D359-L362 PolarHBondContact O-N 3.4Å; A360-L362 PolarHBondContact O-N 3.13Å; L362-K449 WeakPolarHBondContact CD1-O 3.48Å
363V89Confident90.6Very high12 Ų1231.1 Ų31.17%0.07317%0.17CC..  trans-96.4132.9-177.5179.90000110L301 H358 D359 A360 L367 I439 T450 L460L301-V363 HydrophobicContact CD2-CB 4.44Å; L301-V363 HydrophobicContact CD2-CG1 3.75Å; H358-V363 HydrophobicContact CB-CG2 3.95Å; D359-V363 WeakPolarHBondContact O-CG2 3.47Å; A360-V363 PolarHBondContact O-N 2.79Å; V363-L367 HydrophobicContact CG1-CD1 4.13Å; V363-L367 HydrophobicContact CG1-CD2 3.58Å; V363-L367 HydrophobicContact CG1-CG 4.28Å; V363-I439 HydrophobicContact CG1-CD1 3.95Å; V363-I439 HydrophobicContact CG2-CD1 4.37Å; V363-T450 HydrophobicContact CG2-CG2 3.69Å; V363-L460 HydrophobicContact CG1-CD2 4.02Å; V363-L460 HydrophobicContact CG2-CD2 4.18Å
364K87.8Confident90.7Very high104 Ų10432.1 Ų32.145%0.45218%0.176SC..  trans-108.1118.4179.3-65.4177.5178-177.40111.5D433 A434 D435K364-D433 WeakPolarHBondContact O-CB 3.3Å; K364-A434 HydrophobicContact CB-CB 4.21Å; K364-A434 PolarHBondContact O-N 2.81Å; K364-D435 VanDerWaalsContact CD-CG 3.45Å; K364-D435 WeakPolarHBondContact CD-OD1 3.24Å; K364-D435 WeakPolarHBondContact CD-OD2 3.34Å; K364-D435 WeakPolarHBondContact CE-OD2 3.16Å; K364-D435 IonicContact NZ-OD1 3.71Å; K364-D435 PolarHBondContact NZ-OD1 3.38Å; K364-D435 IonicContact NZ-OD2 2.93Å; K364-D435 PolarHBondContact NZ-OD2 3.47Å
365G81.8Confident90.7Very high31 Ų3136.6 Ų36.632%0.3220%0.204SC..SBendtrans-82.7157.7175.900000113.1A434G365-A434 VanDerWaalsContact O-CB 3.26Å; G365-A434 WeakPolarHBondContact O-CB 3.28Å
366P85.1Confident90.6Very high73 Ų7345.5 Ų45.547%0.47424%0.237SC..SBendcis-76.4149.5-1.632.4-35.7000112.5A434P366-A434 PolarHBondContact O-N 2.92Å
367L87.1Confident90.5Very high0 Ų045.5 Ų45.50%024%0.237CC..EExtended strand (participates in β ladder)trans-89.9146.5176.2-62.6175.7000110.6L301 T302 V303 K304 V363 L431 V432 D433 I439 L460L301-L367 HydrophobicContact CD2-CD1 4.18Å; L301-L367 HydrophobicContact CD2-CG 4.2Å; T302-L367 WeakPolarHBondContact O-CB 3.21Å; T302-L367 PolarHBondContact O-N 3.35Å; V303-L367 CarbonylContact C-O 3.55Å; V303-L367 WeakPolarHBondContact CA-O 3.35Å; V303-L367 HydrophobicContact CB-CB 4.45Å; V303-L367 HydrophobicContact CG1-CB 4.4Å; V303-L367 HydrophobicContact CG2-CB 4.07Å; V303-L367 HydrophobicContact CG2-CD1 4.04Å; K304-L367 PolarHBondContact N-O 3.25Å; V363-L367 HydrophobicContact CG1-CD1 4.13Å; V363-L367 HydrophobicContact CG1-CD2 3.58Å; V363-L367 HydrophobicContact CG1-CG 4.28Å; L367-L431 HydrophobicContact CB-CD1 4.15Å; L367-L431 HydrophobicContact CD1-CD2 4.25Å; L367-V432 CarbonylContact C-O 3.54Å; L367-V432 WeakPolarHBondContact CA-O 3.36Å; L367-D433 HydrophobicContact CD2-CB 4.01Å; L367-I439 HydrophobicContact CD2-CD1 3.72Å; L367-L460 HydrophobicContact CD1-CD2 3.66Å
368V87.1Confident90.5Very high50 Ų5050.5 Ų50.530%0.30326%0.258SS..EExtended strand (participates in β ladder)trans-124.4117.3175.1-1710000109.5K304 D370 V432K304-V368 CarbonylContact O-C 3.46Å; K304-V368 WeakPolarHBondContact O-CA 3.39Å; V368-D370 HydrophobicContact CG1-CB 4.15Å; V368-V432 PolarHBondContact N-O 3.21Å; V368-V432 PolarHBondContact O-N 3.46Å
369Y90.3Very high90.5Very high0 Ų050.6 Ų50.60%026%0.259CS..EExtended strand (participates in β ladder)trans-85.9110.6168.7-168.6-137.6000108.3K304 V305 N306 V309 R313 L316 P429 C430 L431 T464K304-Y369 PolarHBondContact O-N 2.93Å; V305-Y369 HydrophobicContact CG1-CD1 4.16Å; N306-Y369 PolarHBondContact N-O 3.43Å; V309-Y369 HydrophobicContact CB-CD1 4.45Å; V309-Y369 HydrophobicContact CB-CE1 4.48Å; V309-Y369 HydrophobicContact CG1-CD1 3.66Å; V309-Y369 HydrophobicContact CG1-CE1 3.28Å; V309-Y369 HydrophobicContact CG1-CG 4.48Å; V309-Y369 HydrophobicContact CG2-CD1 4.37Å; V309-Y369 WeakPolarHBondContact CG2-O 3.1Å; R313-Y369 PolarHBondContact O-OH 3.44Å; L316-Y369 HydrophobicContact CB-CD1 3.97Å; L316-Y369 HydrophobicContact CB-CE1 3.91Å; L316-Y369 HydrophobicContact CD2-CD1 3.74Å; L316-Y369 HydrophobicContact CD2-CD2 4.31Å; L316-Y369 HydrophobicContact CD2-CE1 4.37Å; L316-Y369 HydrophobicContact CD2-CG 3.72Å; L316-Y369 HydrophobicContact CG-CD1 4.4Å; Y369-P429 HydrophobicContact CE2-CB 4.2Å; Y369-C430 WeakPolarHBondContact CD2-O 3.34Å; Y369-L431 HydrophobicContact CD2-CB 4.48Å; Y369-L431 HydrophobicContact CD2-CD1 4.31Å; Y369-T464 HydrophobicContact CE2-CG2 4.18Å; Y369-T464 WeakPolarHBondContact OH-CG2 3.42Å
370D89.8Confident90.5Very high30 Ų3051.7 Ų51.716%0.1627%0.266CS..EExtended strand (participates in β ladder)trans-133.1170.8-164.4-163.417.7000111.4N306 V368 R372 P429 C430N306-D370 PolarHBondContact ND2-OD1 3.32Å; V368-D370 HydrophobicContact CG1-CB 4.15Å; D370-R372 IonicContact OD2-NE 2.88Å; D370-P429 CarbonylContact O-C 3.53Å; D370-P429 WeakPolarHBondContact O-CA 3.36Å; D370-C430 PolarHBondContact N-O 3.39Å; D370-C430 PolarHBondContact O-N 2.89Å
371V91.9Very high90.7Very high8 Ų851.3 Ų51.35%0.04826%0.263CS..EExtended strand (participates in β ladder)trans-118.8139.4167.5-67.50000110.6E308 V309 V312 V427 Y428E308-V371 HydrophobicContact CB-CG2 3.46Å; E308-V371 VanDerWaalsContact CB-CG2 3.46Å; E308-V371 WeakPolarHBondContact OE2-CG2 3.27Å; V309-V371 HydrophobicContact CB-CG1 4.25Å; V309-V371 HydrophobicContact CG2-CG1 3.9Å; V312-V371 HydrophobicContact CB-CG1 4.2Å; V312-V371 HydrophobicContact CG2-CG1 3.93Å; V371-V427 HydrophobicContact CB-CB 4.23Å; V371-Y428 CarbonylContact C-O 3.51Å; V371-Y428 VanDerWaalsContact CA-O 3.23Å; V371-Y428 WeakPolarHBondContact CA-O 3.45Å
372R94.1Very high90.6Very high64 Ų6448.7 Ų48.724%0.24225%0.252CS..EExtended strand (participates in β ladder)trans-132.1146.3177.3-68.1-176.3-178.8-176.92.4111.1D370 L377 Y428D370-R372 IonicContact OD2-NE 2.88Å; R372-L377 HydrophobicContact CB-CB 4.01Å; R372-L377 HydrophobicContact CB-CG 4.37Å; R372-Y428 PolarHBondContact N-O 3.2Å; R372-Y428 PolarHBondContact O-N 3.03Å
373P94Very high90.4Very high49 Ų4948.6 Ų48.632%0.31827%0.269SS..  trans-58144.9168.8-24.734.2000111.1T375 R376 L377P373-T375 PolarHBondContact O-N 2.97Å; P373-R376 PolarHBondContact O-N 2.88Å; P373-L377 PolarHBondContact O-N 2.85Å
374P92.8Very high90.4Very high20 Ų2051.7 Ų51.713%0.1328%0.28CS..THydrogen-bonded Turntrans-53.4-32.9-178.1-27.632.8000114.2R376 A389 V390 S426 Y428P374-R376 VanDerWaalsContact C-N 3.35Å; P374-A389 PolarHBondContact O-N 2.91Å; P374-V390 HydrophobicContact CB-CG2 3.48Å; P374-V390 VanDerWaalsContact CB-CG2 3.48Å; P374-S426 WeakPolarHBondContact CD-O 3.45Å; P374-Y428 HydrophobicContact CB-CD2 3.97Å; P374-Y428 HydrophobicContact CB-CE2 3.55Å; P374-Y428 HydrophobicContact CG-CD2 3.79Å; P374-Y428 HydrophobicContact CG-CE1 4.28Å; P374-Y428 HydrophobicContact CG-CE2 3.41Å; P374-Y428 VanDerWaalsContact CG-CE2 3.41Å; P374-Y428 HydrophobicContact CG-CG 4.37Å
375T92.6Very high90.7Very high102 Ų10257.3 Ų57.363%0.62630%0.298SS*.THydrogen-bonded Turntrans-74.5-22.3179.652.40000113.7P373 V390P373-T375 PolarHBondContact O-N 2.97Å; T375-V390 HydrophobicContact CG2-CG2 4.22Å
376R92.9Very high91.2Very high190 Ų19061 Ų6172%0.71731%0.307SS*.THydrogen-bonded Turntrans-105.3-15.4-178.1-66.4-177.166.9-175.8-0.5113.2P373 P374 K378P373-R376 PolarHBondContact O-N 2.88Å; P374-R376 VanDerWaalsContact C-N 3.35Å; R376-K378 PolarHBondContact O-N 2.76Å
377L93Very high91.7Very high0 Ų058.7 Ų58.70%029%0.29CS..  trans-78.7103.8174.9-163.8170.7000108.9R372 P373 V379 T388 A389 C430 V438 F441R372-L377 HydrophobicContact CB-CB 4.01Å; R372-L377 HydrophobicContact CB-CG 4.37Å; P373-L377 PolarHBondContact O-N 2.85Å; L377-V379 HydrophobicContact CD2-CB 4.32Å; L377-V379 HydrophobicContact CD2-CG1 4.38Å; L377-T388 CarbonylContact O-C 3.46Å; L377-T388 WeakPolarHBondContact O-CA 3.45Å; L377-A389 HydrophobicContact CB-CB 4.01Å; L377-A389 HydrophobicContact CD1-CB 4.39Å; L377-A389 HydrophobicContact CD2-CB 4.19Å; L377-A389 HydrophobicContact CG-CB 4.41Å; L377-A389 PolarHBondContact O-N 2.95Å; L377-C430 HydrophobicContact CD1-CB 4.08Å; L377-C430 HydrophobicContact CG-CB 4.4Å; L377-V438 HydrophobicContact CD2-CG1 4.18Å; L377-V438 HydrophobicContact CD2-CG2 4.3Å; L377-F441 HydrophobicContact CD1-CD2 3.9Å; L377-F441 HydrophobicContact CD1-CE2 3.97Å; L377-F441 HydrophobicContact CD1-CG 4.27Å; L377-F441 HydrophobicContact CD1-CZ 4.32Å; L377-F441 HydrophobicContact CD2-CD1 4.23Å; L377-F441 HydrophobicContact CD2-CG 4.24Å
378K94.2Very high92.1Very high113 Ų11359.9 Ų59.949%0.49130%0.297SS..EExtended strand (participates in β ladder)trans-103.8135.3171.5-67.9-176177.5-173.30110R376 E386 M387 T388 V438R376-K378 PolarHBondContact O-N 2.76Å; K378-E386 HydrophobicContact CB-CG 4.48Å; K378-M387 WeakPolarHBondContact CA-O 3.37Å; K378-T388 HydrophobicContact CG-CG2 4.22Å; K378-V438 WeakPolarHBondContact O-CB 3.49Å; K378-V438 VanDerWaalsContact O-CG2 3.23Å; K378-V438 WeakPolarHBondContact O-CG2 3.09Å
379V94.4Very high92.3Very high3 Ų357.5 Ų57.52%0.01828%0.283CS..EExtended strand (participates in β ladder)trans-140.5154.1177.262.10000108.7L377 P381 E386 M387 L392 V438 F441L377-V379 HydrophobicContact CD2-CB 4.32Å; L377-V379 HydrophobicContact CD2-CG1 4.38Å; V379-P381 HydrophobicContact CG1-CG 4.2Å; V379-P381 VanDerWaalsContact O-CD 3.28Å; V379-P381 WeakPolarHBondContact O-CD 3.44Å; V379-E386 WeakPolarHBondContact O-CA 3.2Å; V379-M387 PolarHBondContact N-O 2.61Å; V379-M387 PolarHBondContact O-N 3.32Å; V379-L392 HydrophobicContact CG1-CD2 4.02Å; V379-V438 HydrophobicContact CB-CB 4.32Å; V379-V438 HydrophobicContact CB-CG1 4.24Å; V379-V438 HydrophobicContact CG2-CB 4.48Å; V379-V438 HydrophobicContact CG2-CG1 4.21Å; V379-F441 HydrophobicContact CG1-CD1 4.45Å
380V94.3Very high92.4Very high28 Ų2860.9 Ų60.917%0.1730%0.303CS..  trans-101.190.7168.4-172.80000107.4E386 S447 E448V380-E386 HydrophobicContact CG2-CB 3.9Å; V380-E386 HydrophobicContact CG2-CG 4.09Å; V380-S447 CarbonylContact O-C 3.47Å; V380-S447 VanDerWaalsContact O-CA 3.24Å; V380-S447 WeakPolarHBondContact O-CA 3.26Å; V380-E448 HydrophobicContact CG1-CB 4.04Å; V380-E448 PolarHBondContact O-N 2.86Å
381P92.3Very high92.5Very high0 Ų063.9 Ų63.90%032%0.316CS..BIsolated β-bridgetrans-63.9154.8-175.6-15.229.7000111.1V379 G383 R384 R385 M387 L392 T445V379-P381 HydrophobicContact CG1-CG 4.2Å; V379-P381 VanDerWaalsContact O-CD 3.28Å; V379-P381 WeakPolarHBondContact O-CD 3.44Å; P381-G383 PolarHBondContact O-N 2.78Å; P381-G383 VanDerWaalsContact O-N 3.14Å; P381-R384 HydrophobicContact CB-CB 4.09Å; P381-R384 HydrophobicContact CB-CG 4.48Å; P381-R384 HydrophobicContact CG-CB 4.15Å; P381-R384 PolarHBondContact O-N 3.22Å; P381-R385 WeakPolarHBondContact CD-O 3.26Å; P381-M387 HydrophobicContact CG-CG 4.05Å; P381-M387 HydrophobicContact CG-SD 4.16Å; P381-L392 HydrophobicContact CB-CD1 4.2Å; P381-L392 HydrophobicContact CB-CD2 4.47Å; P381-L392 HydrophobicContact CG-CD1 3.76Å; P381-L392 HydrophobicContact CG-CD2 3.91Å; P381-L392 HydrophobicContact CG-CG 4.39Å; P381-T445 HydrophobicContact CB-CG2 4.04Å
382L87.5Confident92.6Very high73 Ų7363.5 Ų63.538%0.38231%0.314SS..THydrogen-bonded Turntrans-52.9122.5175.5-66.9171.4000111.4R384 N446 E448 K451L382-R384 VanDerWaalsContact C-N 3.28Å; L382-R384 PolarHBondContact O-N 3.34Å; L382-N446 HydrophobicContact CD1-CB 4.4Å; L382-N446 PolarHBondContact N-O 3.23Å; L382-E448 VanDerWaalsContact CA-OE2 3.22Å; L382-E448 WeakPolarHBondContact CA-OE2 3.3Å; L382-K451 HydrophobicContact CD2-CB 3.97Å; L382-K451 HydrophobicContact CD2-CD 3.83Å; L382-K451 HydrophobicContact CD2-CG 3.88Å
383G85.8Confident92.4Very high71 Ų7161.3 Ų61.373%0.73231%0.307SS*.THydrogen-bonded Turntrans71.110.9-179.800000116.1P381 E448P381-G383 PolarHBondContact O-N 2.78Å; P381-G383 VanDerWaalsContact O-N 3.14Å; G383-E448 PolarHBondContact N-OE2 2.68Å
384R90.5Very high92.2Very high76 Ų7665.8 Ų65.829%0.28732%0.318SS..SBendtrans-125.8168.8178.3-62.4-172.7177109.3-3.8111.6P381 L382 E399P381-R384 HydrophobicContact CB-CB 4.09Å; P381-R384 HydrophobicContact CB-CG 4.48Å; P381-R384 HydrophobicContact CG-CB 4.15Å; P381-R384 PolarHBondContact O-N 3.22Å; L382-R384 VanDerWaalsContact C-N 3.28Å; L382-R384 PolarHBondContact O-N 3.34Å; R384-E399 IonicContact CZ-OE1 3.79Å; R384-E399 IonicContact NE-OE1 2.97Å; R384-E399 IonicContact NH2-OE1 3.84Å; R384-E399 PolarHBondContact NH2-OE1 2.93Å; R384-E399 IonicContact NH2-OE2 3.93Å; R384-E399 PolarHBondContact NH2-OE2 2.91Å
385R92.3Very high92.1Very high222 Ų22267.9 Ų67.984%0.83833%0.326SS*.  trans-80.2164.8171.6-65.2-175.8-179.9-177.7-0.2110.6P381 M387P381-R385 WeakPolarHBondContact CD-O 3.26Å; R385-M387 PolarHBondContact O-N 2.85Å
386E93.6Very high92Very high110 Ų11063.9 Ų63.951%0.51430%0.3SS..  trans-55.1135.1173.4-168.5177.9-103.800111.1K378 V379 V380K378-E386 HydrophobicContact CB-CG 4.48Å; V379-E386 WeakPolarHBondContact O-CA 3.2Å; V380-E386 HydrophobicContact CG2-CB 3.9Å; V380-E386 HydrophobicContact CG2-CG 4.09Å
387M94.6Very high91.8Very high24 Ų2457.7 Ų57.712%0.11828%0.28CS..EExtended strand (participates in β ladder)trans-156.6164.7177.553.9179.61600111.5K378 V379 P381 R385 E391 L392K378-M387 WeakPolarHBondContact CA-O 3.37Å; V379-M387 PolarHBondContact N-O 2.61Å; V379-M387 PolarHBondContact O-N 3.32Å; P381-M387 HydrophobicContact CG-CG 4.05Å; P381-M387 HydrophobicContact CG-SD 4.16Å; R385-M387 PolarHBondContact O-N 2.85Å; M387-E391 HydrophobicContact CB-CB 4.28Å; M387-E391 HydrophobicContact CE-CB 4.16Å; M387-L392 HydrophobicContact CG-CB 4.19Å; M387-L392 HydrophobicContact SD-CB 3.71Å; M387-L392 HydrophobicContact SD-CD1 3.81Å; M387-L392 HydrophobicContact SD-CG 4.34Å
388T95.2Very high91.6Very high24 Ų2461.8 Ų61.815%0.14730%0.301CS..EExtended strand (participates in β ladder)trans-75.4157.5173.562.10000111.4L377 K378 V390 E391 L392L377-T388 CarbonylContact O-C 3.46Å; L377-T388 WeakPolarHBondContact O-CA 3.45Å; K378-T388 HydrophobicContact CG-CG2 4.22Å; T388-V390 PolarHBondContact O-N 3.21Å; T388-E391 PolarHBondContact N-OE2 3.42Å; T388-E391 PolarHBondContact O-N 3.34Å; T388-E391 VanDerWaalsContact OG1-CD 3.24Å; T388-E391 VanDerWaalsContact OG1-CG 3.3Å; T388-E391 WeakPolarHBondContact OG1-CG 3.33Å; T388-E391 PolarHBondContact OG1-N 2.83Å; T388-E391 PolarHBondContact OG1-OE2 3.42Å; T388-L392 PolarHBondContact O-N 3.28Å
389A92.3Very high91.3Very high0 Ų060.3 Ų60.30%030%0.296CS..Hα-helixtrans-58.6-35.1174.800000112.1P374 L377 L392 I393 Y428 F441P374-A389 PolarHBondContact O-N 2.91Å; L377-A389 HydrophobicContact CB-CB 4.01Å; L377-A389 HydrophobicContact CD1-CB 4.39Å; L377-A389 HydrophobicContact CD2-CB 4.19Å; L377-A389 HydrophobicContact CG-CB 4.41Å; L377-A389 PolarHBondContact O-N 2.95Å; A389-L392 PolarHBondContact O-N 2.91Å; A389-I393 WeakPolarHBondContact O-CB 3.14Å; A389-I393 WeakPolarHBondContact O-CG1 3.37Å; A389-I393 PolarHBondContact O-N 3.14Å; A389-Y428 HydrophobicContact CB-CD2 3.85Å; A389-Y428 HydrophobicContact CB-CE2 4.09Å; A389-F441 HydrophobicContact CB-CE1 3.64Å; A389-F441 HydrophobicContact CB-CZ 3.91Å
390V92.7Very high90.9Very high71 Ų7160.4 Ų60.443%0.4330%0.297SS..Hα-helixtrans-59.8-50176.31790000111P374 T375 T388 R394P374-V390 HydrophobicContact CB-CG2 3.48Å; P374-V390 VanDerWaalsContact CB-CG2 3.48Å; T375-V390 HydrophobicContact CG2-CG2 4.22Å; T388-V390 PolarHBondContact O-N 3.21Å; V390-R394 WeakPolarHBondContact O-CB 3.13Å; V390-R394 PolarHBondContact O-N 3.47Å
391E92.5Very high90.4Very high93 Ų9362 Ų6244%0.43530%0.304SS..Hα-helixtrans-65.5-43-179.4-69.8161.5151.500111.6M387 T388 R394 Q395M387-E391 HydrophobicContact CB-CB 4.28Å; M387-E391 HydrophobicContact CE-CB 4.16Å; T388-E391 PolarHBondContact N-OE2 3.42Å; T388-E391 PolarHBondContact O-N 3.34Å; T388-E391 VanDerWaalsContact OG1-CD 3.24Å; T388-E391 VanDerWaalsContact OG1-CG 3.3Å; T388-E391 WeakPolarHBondContact OG1-CG 3.33Å; T388-E391 PolarHBondContact OG1-N 2.83Å; T388-E391 PolarHBondContact OG1-OE2 3.42Å; E391-R394 PolarHBondContact O-N 3.33Å; E391-Q395 WeakPolarHBondContact O-CG 3.39Å; E391-Q395 PolarHBondContact O-N 2.91Å
392L92.1Very high90.2Very high1 Ų167.5 Ų67.51%0.00533%0.33CS..Hα-helixtrans-60.8-51178.8177.659.3000111.6V379 P381 M387 T388 A389 R394 Q395 L396 F441 I444 T445V379-L392 HydrophobicContact CG1-CD2 4.02Å; P381-L392 HydrophobicContact CB-CD1 4.2Å; P381-L392 HydrophobicContact CB-CD2 4.47Å; P381-L392 HydrophobicContact CG-CD1 3.76Å; P381-L392 HydrophobicContact CG-CD2 3.91Å; P381-L392 HydrophobicContact CG-CG 4.39Å; M387-L392 HydrophobicContact CG-CB 4.19Å; M387-L392 HydrophobicContact SD-CB 3.71Å; M387-L392 HydrophobicContact SD-CD1 3.81Å; M387-L392 HydrophobicContact SD-CG 4.34Å; T388-L392 PolarHBondContact O-N 3.28Å; A389-L392 PolarHBondContact O-N 2.91Å; L392-R394 VanDerWaalsContact C-N 3.3Å; L392-R394 PolarHBondContact O-N 3.3Å; L392-Q395 PolarHBondContact O-N 3.15Å; L392-L396 HydrophobicContact CD1-CD1 4.04Å; L392-L396 HydrophobicContact CD1-CG 4.19Å; L392-L396 HydrophobicContact CG-CD1 4.02Å; L392-L396 WeakPolarHBondContact O-CG 3.32Å; L392-L396 PolarHBondContact O-N 3.33Å; L392-F441 HydrophobicContact CD2-CD1 4.16Å; L392-F441 HydrophobicContact CD2-CE1 4.38Å; L392-I444 HydrophobicContact CD2-CG2 3.9Å; L392-I444 HydrophobicContact CG-CG2 4.4Å; L392-T445 HydrophobicContact CD2-CG2 3.96Å
393I90.5Very high90Very high18 Ų1867 Ų679%0.09233%0.327CS..Hα-helixtrans-61.6-42-179.7-70.5172.1000110.1A389 Q395 L396 H397 L422 Y428 F441A389-I393 WeakPolarHBondContact O-CB 3.14Å; A389-I393 WeakPolarHBondContact O-CG1 3.37Å; A389-I393 PolarHBondContact O-N 3.14Å; I393-Q395 PolarHBondContact O-N 3.09Å; I393-L396 PolarHBondContact O-N 2.9Å; I393-H397 WeakPolarHBondContact CG2-CE1 3.44Å; I393-H397 WeakPolarHBondContact CG2-ND1 3.11Å; I393-H397 PolarHBondContact O-N 3.34Å; I393-H397 PolarHBondContact O-ND1 3.13Å; I393-L422 HydrophobicContact CD1-CB 4.32Å; I393-L422 HydrophobicContact CD1-CD1 3.99Å; I393-Y428 HydrophobicContact CD1-CD2 4.26Å; I393-Y428 HydrophobicContact CD1-CE2 3.35Å; I393-F441 HydrophobicContact CD1-CE1 4.47Å; I393-F441 HydrophobicContact CD1-CZ 4.16Å
394R90.7Very high89.9Confident143 Ų14366.7 Ų66.754%0.5430%0.304SS..Hα-helixtrans-60.3-44.4177-168.6-169.671.581.21.3112V390 E391 L392 H397 L398V390-R394 WeakPolarHBondContact O-CB 3.13Å; V390-R394 PolarHBondContact O-N 3.47Å; E391-R394 PolarHBondContact O-N 3.33Å; L392-R394 VanDerWaalsContact C-N 3.3Å; L392-R394 PolarHBondContact O-N 3.3Å; R394-H397 PolarHBondContact O-N 3.45Å; R394-L398 VanDerWaalsContact NH1-CD1 3.29Å; R394-L398 WeakPolarHBondContact O-CG 3.4Å; R394-L398 PolarHBondContact O-N 2.97Å
395Q91.1Very high89.7Confident64 Ų6469.9 Ų69.930%0.29932%0.32SS..Hα-helixtrans-63.7-43.4176.8-74.5-174.2-3.400112.2E391 L392 I393 H397 L398 E399E391-Q395 WeakPolarHBondContact O-CG 3.39Å; E391-Q395 PolarHBondContact O-N 2.91Å; L392-Q395 PolarHBondContact O-N 3.15Å; I393-Q395 PolarHBondContact O-N 3.09Å; Q395-H397 VanDerWaalsContact C-N 3.31Å; Q395-H397 PolarHBondContact O-N 3.01Å; Q395-L398 PolarHBondContact O-N 2.99Å; Q395-E399 WeakPolarHBondContact O-CG 3.19Å; Q395-E399 PolarHBondContact O-N 2.88Å
396L89.4Confident89.4Confident18 Ų1866.5 Ų66.59%0.09431%0.314CS..Hα-helixtrans-63.3-36.3178.6-69.5173.4000112.7L392 I393 A400 L419 I444L392-L396 HydrophobicContact CD1-CD1 4.04Å; L392-L396 HydrophobicContact CD1-CG 4.19Å; L392-L396 HydrophobicContact CG-CD1 4.02Å; L392-L396 WeakPolarHBondContact O-CG 3.32Å; L392-L396 PolarHBondContact O-N 3.33Å; I393-L396 PolarHBondContact O-N 2.9Å; L396-A400 VanDerWaalsContact O-CB 3.31Å; L396-A400 WeakPolarHBondContact O-CB 3.07Å; L396-A400 PolarHBondContact O-N 2.84Å; L396-L419 HydrophobicContact CB-CD1 3.95Å; L396-L419 HydrophobicContact CB-CD2 4Å; L396-L419 HydrophobicContact CD1-CD2 3.94Å; L396-I444 HydrophobicContact CD1-CG2 3.55Å
397H88.4Confident89Confident60 Ų6066.9 Ų66.928%0.27831%0.314SS..Hα-helixtrans-64.3-44.5173-77.193.6000111.9I393 R394 Q395 A400 D401I393-H397 WeakPolarHBondContact CG2-CE1 3.44Å; I393-H397 WeakPolarHBondContact CG2-ND1 3.11Å; I393-H397 PolarHBondContact O-N 3.34Å; I393-H397 PolarHBondContact O-ND1 3.13Å; R394-H397 PolarHBondContact O-N 3.45Å; Q395-H397 VanDerWaalsContact C-N 3.31Å; Q395-H397 PolarHBondContact O-N 3.01Å; H397-A400 PolarHBondContact O-N 3.4Å; H397-D401 PolarHBondContact O-N 3.38Å
398L88.9Confident88.4Confident85 Ų8575.1 Ų75.145%0.44535%0.349SS..Hα-helixtrans-61.9-45.5177-71.1174.5000112.1R394 Q395 A400 D401 E402R394-L398 VanDerWaalsContact NH1-CD1 3.29Å; R394-L398 WeakPolarHBondContact O-CG 3.4Å; R394-L398 PolarHBondContact O-N 2.97Å; Q395-L398 PolarHBondContact O-N 2.99Å; L398-A400 VanDerWaalsContact C-N 3.34Å; L398-A400 PolarHBondContact O-N 2.89Å; L398-D401 PolarHBondContact O-N 3.16Å; L398-E402 WeakPolarHBondContact O-CG 3.28Å; L398-E402 PolarHBondContact O-N 3.2Å
399E88.8Confident87.4Confident82 Ų8280 Ų8038%0.38337%0.365SS..Hα-helixtrans-60.4-43.5176.2-72.9175.4-169.900111.5R384 Q395 D401 E402 L403R384-E399 IonicContact CZ-OE1 3.79Å; R384-E399 IonicContact NE-OE1 2.97Å; R384-E399 IonicContact NH2-OE1 3.84Å; R384-E399 PolarHBondContact NH2-OE1 2.93Å; R384-E399 IonicContact NH2-OE2 3.93Å; R384-E399 PolarHBondContact NH2-OE2 2.91Å; Q395-E399 WeakPolarHBondContact O-CG 3.19Å; Q395-E399 PolarHBondContact O-N 2.88Å; E399-D401 VanDerWaalsContact C-N 3.31Å; E399-D401 PolarHBondContact O-N 3.02Å; E399-E402 PolarHBondContact O-N 3.01Å; E399-L403 VanDerWaalsContact O-CB 3.29Å; E399-L403 WeakPolarHBondContact O-CB 3.19Å; E399-L403 PolarHBondContact O-N 2.95Å
400A85.1Confident86.3Confident5 Ų588.5 Ų88.54%0.04140%0.404CS..Hα-helixtrans-61.9-39.2177.400000112.1L396 H397 L398 R404 V412 H416L396-A400 VanDerWaalsContact O-CB 3.31Å; L396-A400 WeakPolarHBondContact O-CB 3.07Å; L396-A400 PolarHBondContact O-N 2.84Å; H397-A400 PolarHBondContact O-N 3.4Å; L398-A400 VanDerWaalsContact C-N 3.34Å; L398-A400 PolarHBondContact O-N 2.89Å; A400-R404 WeakPolarHBondContact O-CB 3.48Å; A400-R404 PolarHBondContact O-N 3.22Å; A400-V412 HydrophobicContact CB-CG1 3.99Å; A400-H416 HydrophobicContact CB-CB 4.15Å
401D84.6Confident85.1Confident61 Ų6191.2 Ų91.233%0.32642%0.416SS..Hα-helixtrans-71.1-41.3177.2-94.4-31.9000113.4H397 L398 E399 L403 R404 K405H397-D401 PolarHBondContact O-N 3.38Å; L398-D401 PolarHBondContact O-N 3.16Å; E399-D401 VanDerWaalsContact C-N 3.31Å; E399-D401 PolarHBondContact O-N 3.02Å; D401-L403 VanDerWaalsContact C-N 3.32Å; D401-L403 PolarHBondContact O-N 2.81Å; D401-R404 WeakPolarHBondContact O-CB 3.45Å; D401-R404 PolarHBondContact O-N 3.3Å; D401-R404 IonicContact OD1-NE 3.13Å; D401-R404 PolarHBondContact OD1-NE 3.25Å; D401-R404 IonicContact OD1-NH2 2.64Å; D401-K405 WeakPolarHBondContact O-CG 3.27Å; D401-K405 PolarHBondContact O-N 3Å
402E87.3Confident83.7Confident116 Ų11689.6 Ų89.654%0.54241%0.413SS..Hα-helixtrans-61.2-43.3172.9-75.9-175.8170.800111.1L398 E399 R404 K405 Q406L398-E402 WeakPolarHBondContact O-CG 3.28Å; L398-E402 PolarHBondContact O-N 3.2Å; E399-E402 PolarHBondContact O-N 3.01Å; E402-R404 VanDerWaalsContact C-N 3.31Å; E402-R404 PolarHBondContact O-N 3.04Å; E402-K405 WeakPolarHBondContact O-CB 3.35Å; E402-K405 PolarHBondContact O-N 3.08Å; E402-K405 VanDerWaalsContact O-N 3.16Å; E402-Q406 WeakPolarHBondContact O-CB 3.23Å; E402-Q406 WeakPolarHBondContact O-CG 3.37Å; E402-Q406 PolarHBondContact O-N 3.33Å
403L83.6Confident82.3Confident62 Ų6290.7 Ų90.733%0.32542%0.419SS..Hα-helixtrans-67.9-32.9179.5-152.9133.9000112E399 D401 K407E399-L403 VanDerWaalsContact O-CB 3.29Å; E399-L403 WeakPolarHBondContact O-CB 3.19Å; E399-L403 PolarHBondContact O-N 2.95Å; D401-L403 VanDerWaalsContact C-N 3.32Å; D401-L403 PolarHBondContact O-N 2.81Å; L403-K407 HydrophobicContact CD2-CD 3.95Å; L403-K407 WeakPolarHBondContact O-CB 3.46Å; L403-K407 WeakPolarHBondContact O-CG 3.49Å; L403-K407 PolarHBondContact O-N 3.01Å; L403-K407 VanDerWaalsContact O-N 3.13Å
404R84.6Confident80.8Confident66 Ų6690.5 Ų90.525%0.24942%0.422CS..Hα-helixtrans-63-47.8169.3178.6-172.869.3920.3111.2A400 D401 E402 K407 K408 R409 Q410 V412A400-R404 WeakPolarHBondContact O-CB 3.48Å; A400-R404 PolarHBondContact O-N 3.22Å; D401-R404 WeakPolarHBondContact O-CB 3.45Å; D401-R404 PolarHBondContact O-N 3.3Å; D401-R404 IonicContact OD1-NE 3.13Å; D401-R404 PolarHBondContact OD1-NE 3.25Å; D401-R404 IonicContact OD1-NH2 2.64Å; E402-R404 VanDerWaalsContact C-N 3.31Å; E402-R404 PolarHBondContact O-N 3.04Å; R404-K407 PolarHBondContact O-N 3.2Å; R404-K408 PolarHBondContact O-N 2.81Å; R404-R409 HydrophobicContact CG-CB 4.24Å; R404-R409 VanDerWaalsContact CG-O 3.24Å; R404-R409 WeakPolarHBondContact CG-O 3.25Å; R404-R409 PolarHBondContact O-N 3.25Å; R404-R409 VanDerWaalsContact O-N 3.08Å; R404-Q410 PolarHBondContact NH1-O 3.31Å; R404-V412 HydrophobicContact CB-CG2 4.47Å
405K85.9Confident79.4Confident142 Ų14287.4 Ų87.462%0.61742%0.416SS*.Hα-helixtrans-62-48.6178.5-72.7172.6-176.8175.20111.5D401 E402 K407 K408D401-K405 WeakPolarHBondContact O-CG 3.27Å; D401-K405 PolarHBondContact O-N 3Å; E402-K405 WeakPolarHBondContact O-CB 3.35Å; E402-K405 PolarHBondContact O-N 3.08Å; E402-K405 VanDerWaalsContact O-N 3.16Å; K405-K407 VanDerWaalsContact C-N 3.33Å; K405-K407 PolarHBondContact O-N 3.13Å; K405-K408 PolarHBondContact O-N 3.15Å
406Q85.9Confident78.7Confident151 Ų15186.1 Ų86.171%0.70641%0.41SS*.Hα-helixtrans-59.6-41.2178.5-73.5179.213.100112.3E402 K408E402-Q406 WeakPolarHBondContact O-CB 3.23Å; E402-Q406 WeakPolarHBondContact O-CG 3.37Å; E402-Q406 PolarHBondContact O-N 3.33Å; Q406-K408 PolarHBondContact O-N 3.2Å
407K84.3Confident78.1Confident118 Ų11890.9 Ų90.951%0.51343%0.43SS..THydrogen-bonded Turntrans-82.36.7178.2-66.4-174.3179.4-179.80113.9L403 R404 K405 R409L403-K407 HydrophobicContact CD2-CD 3.95Å; L403-K407 WeakPolarHBondContact O-CB 3.46Å; L403-K407 WeakPolarHBondContact O-CG 3.49Å; L403-K407 PolarHBondContact O-N 3.01Å; L403-K407 VanDerWaalsContact O-N 3.13Å; R404-K407 PolarHBondContact O-N 3.2Å; K405-K407 VanDerWaalsContact C-N 3.33Å; K405-K407 PolarHBondContact O-N 3.13Å; K407-R409 HydrophobicContact CB-CG 4.04Å; K407-R409 WeakPolarHBondContact O-CG 3.41Å; K407-R409 PolarHBondContact O-N 3.15Å
408K82.3Confident77.7Confident198 Ų19889.1 Ų89.186%0.86142%0.421SS*.THydrogen-bonded Turntrans49.339-178.7-59.7-176.3179.1-178.70113.3R404 K405 Q406R404-K408 PolarHBondContact O-N 2.81Å; K405-K408 PolarHBondContact O-N 3.15Å; Q406-K408 PolarHBondContact O-N 3.2Å
409R74.3Confident77.5Confident126 Ų12685.2 Ų85.248%0.47540%0.4SS..  trans-94.2141.8179.9-64.6-176.1-178.6-168.3-1.8110.5R404 K407R404-R409 HydrophobicContact CG-CB 4.24Å; R404-R409 VanDerWaalsContact CG-O 3.24Å; R404-R409 WeakPolarHBondContact CG-O 3.25Å; R404-R409 PolarHBondContact O-N 3.25Å; R404-R409 VanDerWaalsContact O-N 3.08Å; K407-R409 HydrophobicContact CB-CG 4.04Å; K407-R409 WeakPolarHBondContact O-CG 3.41Å; K407-R409 PolarHBondContact O-N 3.15Å
410Q70.1Confident77.1Confident178 Ų17887.2 Ų87.283%0.83241%0.41SS*.SBendtrans-65.6-42.2172.8-69.5-178.7-5.900110.9R404R404-Q410 PolarHBondContact NH1-O 3.31Å
411N67.4Low76.9Confident128 Ų12889.8 Ų89.868%0.68442%0.423SS*.SBendtrans-112.9148.7-176.3-62.9-22.2000112.7
412V61.6Low76.8Confident60 Ų6087.1 Ų87.136%0.36441%0.408SS..  trans-58.8141.7170.2-178.50000108.7A400 R404 G414 H416A400-V412 HydrophobicContact CB-CG1 3.99Å; R404-V412 HydrophobicContact CB-CG2 4.47Å; V412-G414 PolarHBondContact O-N 2.95Å; V412-H416 HydrophobicContact CG1-CB 3.77Å
413T62.6Low76.5Confident23 Ų2388 Ų8814%0.14141%0.412CS..  trans-57.9142.8-178.665.10000110.4L415 H416T413-L415 PolarHBondContact O-N 3.12Å; T413-H416 PolarHBondContact O-N 3.28Å; T413-H416 PolarHBondContact OG1-CE1 2.84Å; T413-H416 PolarHBondContact OG1-ND1 2.69Å
414G60.3Low76.4Confident14 Ų1489.1 Ų89.114%0.14444%0.439CS..G310 helixtrans-59.3-8.617800000114.5R349 V412R349-G414 WeakPolarHBondContact CD-O 3.37Å; V412-G414 PolarHBondContact O-N 2.95Å
415L60.6Low76.5Confident79 Ų7990.2 Ų90.241%0.41445%0.445SS..G310 helixtrans-70.1-28.6174.4-167.869.1000112.5D344 T413 Y418D344-L415 VanDerWaalsContact OD1-CD1 3.31Å; D344-L415 WeakPolarHBondContact OD1-CD1 3.17Å; T413-L415 PolarHBondContact O-N 3.12Å; L415-Y418 WeakPolarHBondContact O-CD1 3.24Å; L415-Y418 WeakPolarHBondContact O-CE1 3.34Å
416H76.3Confident76.6Confident36 Ų3688 Ų8817%0.16745%0.448CS..G310 helixtrans-92.44.3180-60.194000113.4A400 V412 T413 Y418 L419A400-H416 HydrophobicContact CB-CB 4.15Å; V412-H416 HydrophobicContact CG1-CB 3.77Å; T413-H416 PolarHBondContact O-N 3.28Å; T413-H416 PolarHBondContact OG1-CE1 2.84Å; T413-H416 PolarHBondContact OG1-ND1 2.69Å; H416-Y418 PolarHBondContact O-N 3.08Å; H416-Y418 VanDerWaalsContact O-N 3.13Å; H416-L419 HydrophobicContact CB-CD1 4.2Å; H416-L419 WeakPolarHBondContact O-CB 3.24Å; H416-L419 PolarHBondContact O-N 3.11Å
417K77.4Confident77Confident119 Ų11982.7 Ų82.752%0.51743%0.426SS..Hα-helixtrans-59.2-25179.5-77.3-177.7175-168.80113.2T351 L419 Q420T351-K417 HydrophobicContact CG2-CB 4.14Å; K417-L419 PolarHBondContact O-N 2.7Å; K417-Q420 WeakPolarHBondContact O-CB 3.45Å; K417-Q420 PolarHBondContact O-N 3.38Å
418Y80.5Confident77.4Confident22 Ų2278 Ų789%0.08641%0.405CS..Hα-helixtrans-64.7-24.317668.9-99.2000113R350 L415 H416 Q420 L421 P443 I444R350-Y418 HydrophobicContact CB-CD1 4.14Å; R350-Y418 HydrophobicContact CB-CG 4.12Å; L415-Y418 WeakPolarHBondContact O-CD1 3.24Å; L415-Y418 WeakPolarHBondContact O-CE1 3.34Å; H416-Y418 PolarHBondContact O-N 3.08Å; H416-Y418 VanDerWaalsContact O-N 3.13Å; Y418-Q420 VanDerWaalsContact C-N 3.27Å; Y418-Q420 PolarHBondContact O-N 2.88Å; Y418-L421 WeakPolarHBondContact O-CB 3.43Å; Y418-L421 PolarHBondContact O-N 2.86Å; Y418-P443 HydrophobicContact CD2-CG 4.29Å; Y418-I444 HydrophobicContact CD2-CD1 3.83Å; Y418-I444 HydrophobicContact CE2-CD1 3.75Å
419L83.4Confident78Confident4 Ų468.6 Ų68.62%0.02136%0.364CS..Hα-helixtrans-64.6-35.6175.9-65.3177000111.3L396 H416 K417 L421 L422 I444L396-L419 HydrophobicContact CB-CD1 3.95Å; L396-L419 HydrophobicContact CB-CD2 4Å; L396-L419 HydrophobicContact CD1-CD2 3.94Å; H416-L419 HydrophobicContact CB-CD1 4.2Å; H416-L419 WeakPolarHBondContact O-CB 3.24Å; H416-L419 PolarHBondContact O-N 3.11Å; K417-L419 PolarHBondContact O-N 2.7Å; L419-L421 PolarHBondContact O-N 3.33Å; L419-L422 PolarHBondContact O-N 2.75Å; L419-I444 HydrophobicContact CD2-CD1 3.64Å
420Q80.8Confident78.9Confident124 Ų12462.6 Ų62.658%0.57934%0.341SS*.Hα-helixtrans-65.7-23.1177.9-61.8178.7-27.500112.3K417 Y418 L422 E423K417-Q420 WeakPolarHBondContact O-CB 3.45Å; K417-Q420 PolarHBondContact O-N 3.38Å; Y418-Q420 VanDerWaalsContact C-N 3.27Å; Y418-Q420 PolarHBondContact O-N 2.88Å; Q420-L422 PolarHBondContact O-N 3.06Å; Q420-E423 WeakPolarHBondContact O-CB 3.44Å; Q420-E423 PolarHBondContact O-N 3.14Å
421L81.5Confident80Confident59 Ų5954.1 Ų54.131%0.30930%0.302SS..THydrogen-bonded Turntrans-68.2-18.7178.3-63.7179.7000113.7T351 Y418 L419 K425T351-L421 HydrophobicContact CG2-CD1 4.29Å; T351-L421 WeakPolarHBondContact O-CD1 3.47Å; Y418-L421 WeakPolarHBondContact O-CB 3.43Å; Y418-L421 PolarHBondContact O-N 2.86Å; L419-L421 PolarHBondContact O-N 3.33Å; L421-K425 WeakPolarHBondContact O-CD 3.22Å; L421-K425 WeakPolarHBondContact O-CE 3.25Å; L421-K425 PolarHBondContact O-NZ 3.1Å
422L82.6Confident81.3Confident4 Ų448.3 Ų48.32%0.02127%0.271CS..THydrogen-bonded Turntrans-103.4-6.6178-64-168.2000112.5I393 L419 Q420 G424 K425 Y428 F441 I444I393-L422 HydrophobicContact CD1-CB 4.32Å; I393-L422 HydrophobicContact CD1-CD1 3.99Å; L419-L422 PolarHBondContact O-N 2.75Å; Q420-L422 PolarHBondContact O-N 3.06Å; L422-G424 PolarHBondContact O-N 2.91Å; L422-K425 PolarHBondContact O-N 3.01Å; L422-Y428 HydrophobicContact CB-CD1 4.27Å; L422-Y428 HydrophobicContact CB-CE1 3.63Å; L422-Y428 HydrophobicContact CD1-CD1 4.31Å; L422-Y428 HydrophobicContact CD1-CE1 4.32Å; L422-Y428 HydrophobicContact CD1-CG 4.49Å; L422-Y428 HydrophobicContact CD2-CD1 3.82Å; L422-Y428 HydrophobicContact CD2-CE1 4.04Å; L422-Y428 HydrophobicContact CG-CD1 4.37Å; L422-Y428 HydrophobicContact CG-CE1 4.21Å; L422-Y428 VanDerWaalsContact O-CE1 3.23Å; L422-Y428 WeakPolarHBondContact O-CE1 3.32Å; L422-Y428 PolarHBondContact O-OH 3.37Å; L422-F441 HydrophobicContact CD1-CE2 3.71Å; L422-F441 HydrophobicContact CD1-CZ 3.55Å; L422-I444 HydrophobicContact CD1-CD1 3.71Å; L422-I444 HydrophobicContact CD1-CG1 3.58Å
423E81.4Confident82.7Confident136 Ų13646 Ų4664%0.63626%0.257SS*.THydrogen-bonded Turntrans-68.5129.7-179.1-164169.1-163.700110.1Q420 K425Q420-E423 WeakPolarHBondContact O-CB 3.44Å; Q420-E423 PolarHBondContact O-N 3.14Å; E423-K425 VanDerWaalsContact C-N 3.28Å; E423-K425 PolarHBondContact O-N 2.97Å
424G79.8Confident84Confident85 Ų8547.5 Ų47.588%0.87627%0.271SS*.THydrogen-bonded Turntrans75.6-0.1179.500000116.6L422L422-G424 PolarHBondContact O-N 2.91Å
425K86.6Confident85.4Confident88 Ų8851.4 Ų51.438%0.38329%0.289SS..  trans-82.7139.7176.1-63.1-172.9174.2179.10111.9L421 L422 E423 Y428L421-K425 WeakPolarHBondContact O-CD 3.22Å; L421-K425 WeakPolarHBondContact O-CE 3.25Å; L421-K425 PolarHBondContact O-NZ 3.1Å; L422-K425 PolarHBondContact O-N 3.01Å; E423-K425 VanDerWaalsContact C-N 3.28Å; E423-K425 PolarHBondContact O-N 2.97Å; K425-Y428 HydrophobicContact CB-CD1 4.42Å; K425-Y428 HydrophobicContact CB-CE1 4Å
426S89.3Confident86.8Confident96 Ų9649.4 Ų49.467%0.67129%0.287SS*.SBendtrans-78.1-21.8-179.553.90000114.1P374P374-S426 WeakPolarHBondContact CD-O 3.45Å
427V92.9Very high87.6Confident40 Ų4049.7 Ų49.724%0.24229%0.29CS..  trans-141.7149.5-178-71.50000111.2V312 V371V312-V427 HydrophobicContact CG2-CG2 3.67Å; V371-V427 HydrophobicContact CB-CB 4.23Å
428Y94.1Very high88.4Confident18 Ų1844.3 Ų44.37%0.07127%0.267CS..EExtended strand (participates in β ladder)trans-125.7142-176.6-69.6-21.5000111.9V371 R372 P374 A389 I393 L422 K425 F441V371-Y428 CarbonylContact C-O 3.51Å; V371-Y428 VanDerWaalsContact CA-O 3.23Å; V371-Y428 WeakPolarHBondContact CA-O 3.45Å; R372-Y428 PolarHBondContact N-O 3.2Å; R372-Y428 PolarHBondContact O-N 3.03Å; P374-Y428 HydrophobicContact CB-CD2 3.97Å; P374-Y428 HydrophobicContact CB-CE2 3.55Å; P374-Y428 HydrophobicContact CG-CD2 3.79Å; P374-Y428 HydrophobicContact CG-CE1 4.28Å; P374-Y428 HydrophobicContact CG-CE2 3.41Å; P374-Y428 VanDerWaalsContact CG-CE2 3.41Å; P374-Y428 HydrophobicContact CG-CG 4.37Å; A389-Y428 HydrophobicContact CB-CD2 3.85Å; A389-Y428 HydrophobicContact CB-CE2 4.09Å; I393-Y428 HydrophobicContact CD1-CD2 4.26Å; I393-Y428 HydrophobicContact CD1-CE2 3.35Å; L422-Y428 HydrophobicContact CB-CD1 4.27Å; L422-Y428 HydrophobicContact CB-CE1 3.63Å; L422-Y428 HydrophobicContact CD1-CD1 4.31Å; L422-Y428 HydrophobicContact CD1-CE1 4.32Å; L422-Y428 HydrophobicContact CD1-CG 4.49Å; L422-Y428 HydrophobicContact CD2-CD1 3.82Å; L422-Y428 HydrophobicContact CD2-CE1 4.04Å; L422-Y428 HydrophobicContact CG-CD1 4.37Å; L422-Y428 HydrophobicContact CG-CE1 4.21Å; L422-Y428 VanDerWaalsContact O-CE1 3.23Å; L422-Y428 WeakPolarHBondContact O-CE1 3.32Å; L422-Y428 PolarHBondContact O-OH 3.37Å; K425-Y428 HydrophobicContact CB-CD1 4.42Å; K425-Y428 HydrophobicContact CB-CE1 4Å; Y428-F441 AromaticContact CD2-CE2 3.94Å; Y428-F441 HydrophobicContact CD2-CE2 3.94Å; Y428-F441 AromaticContact CD2-CZ 3.52Å; Y428-F441 HydrophobicContact CD2-CZ 3.52Å; Y428-F441 HydrophobicContact CE2-CZ 4.14Å; Y428-F441 AromaticContact CG-CE2 3.93Å; Y428-F441 HydrophobicContact CG-CE2 3.93Å; Y428-F441 AromaticContact CG-CZ 3.99Å; Y428-F441 HydrophobicContact CG-CZ 3.99Å
429P93.5Very high89.1Confident2 Ų243.2 Ų43.21%0.01326%0.263CS..EExtended strand (participates in β ladder)trans-75.9143.6179.533.9-32.1000110.2V312 R313 Y369 D370 F441 P442V312-P429 HydrophobicContact CG1-CG 4.24Å; R313-P429 HydrophobicContact CB-CB 4.25Å; R313-P429 HydrophobicContact CB-CG 4.11Å; Y369-P429 HydrophobicContact CE2-CB 4.2Å; D370-P429 CarbonylContact O-C 3.53Å; D370-P429 WeakPolarHBondContact O-CA 3.36Å; P429-F441 WeakPolarHBondContact O-CD2 3.37Å; P429-P442 WeakPolarHBondContact CG-O 3.36Å
430C95.2Very high89.7Confident0 Ų043.1 Ų43.10%026%0.262CS..EExtended strand (participates in β ladder)trans-147.3148174.756.60000110.9Y369 D370 L377 V438 S440Y369-C430 WeakPolarHBondContact CD2-O 3.34Å; D370-C430 PolarHBondContact N-O 3.39Å; D370-C430 PolarHBondContact O-N 2.89Å; L377-C430 HydrophobicContact CD1-CB 4.08Å; L377-C430 HydrophobicContact CG-CB 4.4Å; C430-V438 HydrophobicContact CB-CG1 3.81Å; C430-V438 HydrophobicContact CB-CG2 4.36Å; C430-S440 WeakPolarHBondContact CA-O 3.34Å
431L93Very high90.4Very high0 Ų037.2 Ų37.20%024%0.235CC..EExtended strand (participates in β ladder)trans-99.1128.2165.9-170.167.1000108.7V303 L367 Y369 V438 I439 S440 E462V303-L431 HydrophobicContact CG1-CD1 4.23Å; L367-L431 HydrophobicContact CB-CD1 4.15Å; L367-L431 HydrophobicContact CD1-CD2 4.25Å; Y369-L431 HydrophobicContact CD2-CB 4.48Å; Y369-L431 HydrophobicContact CD2-CD1 4.31Å; L431-V438 CarbonylContact O-C 3.39Å; L431-V438 WeakPolarHBondContact O-CA 3.23Å; L431-I439 HydrophobicContact CB-CG1 4.09Å; L431-I439 HydrophobicContact CD2-CD1 3.69Å; L431-I439 HydrophobicContact CD2-CG1 4Å; L431-I439 HydrophobicContact CG-CD1 4Å; L431-I439 HydrophobicContact CG-CG1 3.95Å; L431-I439 WeakPolarHBondContact O-CG1 3.03Å; L431-I439 PolarHBondContact O-N 3.35Å; L431-S440 PolarHBondContact N-O 3.05Å; L431-S440 PolarHBondContact O-N 2.79Å; L431-E462 WeakPolarHBondContact CD2-OE2 3.45Å
432V93.1Very high90.9Very high6 Ų634.4 Ų34.44%0.03622%0.22CC..EExtended strand (participates in β ladder)trans-120.1139.6-174.1-171.70000109.2L367 V368 G436 D437 V438L367-V432 CarbonylContact C-O 3.54Å; L367-V432 WeakPolarHBondContact CA-O 3.36Å; V368-V432 PolarHBondContact N-O 3.21Å; V368-V432 PolarHBondContact O-N 3.46Å; V432-G436 VanDerWaalsContact CG1-C 3.43Å; V432-G436 WeakPolarHBondContact CG1-O 2.98Å; V432-D437 VanDerWaalsContact CA-O 3.28Å; V432-D437 WeakPolarHBondContact CA-O 3Å; V432-D437 WeakPolarHBondContact CG1-O 3.34Å; V432-V438 HydrophobicContact CG2-CG2 4.32Å
433D91.8Very high91.3Very high11 Ų1134.3 Ų34.36%0.05922%0.22CC..  trans-89.5179.5174.575.24.7000112.9K364 L367 D435 G436 D437 I439K364-D433 WeakPolarHBondContact O-CB 3.3Å; L367-D433 HydrophobicContact CD2-CB 4.01Å; D433-D435 PolarHBondContact O-N 3.18Å; D433-D435 WeakPolarHBondContact OD1-CA 3.4Å; D433-D435 PolarHBondContact OD1-N 3.34Å; D433-G436 PolarHBondContact O-N 3.47Å; D433-G436 PolarHBondContact OD1-N 3.25Å; D433-G436 VanDerWaalsContact OD1-N 3.12Å; D433-D437 PolarHBondContact N-O 3.43Å; D433-D437 WeakPolarHBondContact OD1-CB 3.21Å; D433-D437 PolarHBondContact OD1-N 3.19Å; D433-I439 HydrophobicContact CB-CG2 3.95Å
434A89.2Confident91.7Very high55 Ų5528.2 Ų28.246%0.45519%0.191SC..THydrogen-bonded Turntrans-66.4-21.5-179.500000114.4K364 G365 P366 G436K364-A434 HydrophobicContact CB-CB 4.21Å; K364-A434 PolarHBondContact O-N 2.81Å; G365-A434 VanDerWaalsContact O-CB 3.26Å; G365-A434 WeakPolarHBondContact O-CB 3.28Å; P366-A434 PolarHBondContact O-N 2.92Å; A434-G436 PolarHBondContact O-N 3.23Å
435D91.1Very high92.3Very high96 Ų9625.3 Ų25.351%0.51316%0.157SC..THydrogen-bonded Turntrans-80.8-5.8174.8-730.3000111.6K364 D433 D437K364-D435 VanDerWaalsContact CD-CG 3.45Å; K364-D435 WeakPolarHBondContact CD-OD1 3.24Å; K364-D435 WeakPolarHBondContact CD-OD2 3.34Å; K364-D435 WeakPolarHBondContact CE-OD2 3.16Å; K364-D435 IonicContact NZ-OD1 3.71Å; K364-D435 PolarHBondContact NZ-OD1 3.38Å; K364-D435 IonicContact NZ-OD2 2.93Å; K364-D435 PolarHBondContact NZ-OD2 3.47Å; D433-D435 PolarHBondContact O-N 3.18Å; D433-D435 WeakPolarHBondContact OD1-CA 3.4Å; D433-D435 PolarHBondContact OD1-N 3.34Å; D435-D437 VanDerWaalsContact C-N 3.34Å
436G89.5Confident92.6Very high37 Ų3722.2 Ų22.238%0.38114%0.144SC..SBendtrans85.96.9-177.600000113.7V432 D433 A434V432-G436 VanDerWaalsContact CG1-C 3.43Å; V432-G436 WeakPolarHBondContact CG1-O 2.98Å; D433-G436 PolarHBondContact O-N 3.47Å; D433-G436 PolarHBondContact OD1-N 3.25Å; D433-G436 VanDerWaalsContact OD1-N 3.12Å; A434-G436 PolarHBondContact O-N 3.23Å
437D92.4Very high92.8Very high42 Ų4217.7 Ų17.723%0.22511%0.113CC..  trans-78.2135.7178.9-77.4-43.6000111.3V432 D433 D435 I439 K449V432-D437 VanDerWaalsContact CA-O 3.28Å; V432-D437 WeakPolarHBondContact CA-O 3Å; V432-D437 WeakPolarHBondContact CG1-O 3.34Å; D433-D437 PolarHBondContact N-O 3.43Å; D433-D437 WeakPolarHBondContact OD1-CB 3.21Å; D433-D437 PolarHBondContact OD1-N 3.19Å; D435-D437 VanDerWaalsContact C-N 3.34Å; D437-I439 PolarHBondContact O-N 2.94Å; D437-K449 HydrophobicContact CB-CD 4.25Å; D437-K449 IonicContact OD1-NZ 3.47Å; D437-K449 PolarHBondContact OD1-NZ 3.42Å; D437-K449 WeakPolarHBondContact OD2-CD 3.38Å; D437-K449 IonicContact OD2-NZ 3.98Å; D437-K449 PolarHBondContact OD2-NZ 3.44Å
438V95.6Very high92.9Very high5 Ų519 Ų193%0.0312%0.116CC..EExtended strand (participates in β ladder)trans-76.8108.9172178.50000108.6L377 K378 V379 C430 L431 V432 S440 S447L377-V438 HydrophobicContact CD2-CG1 4.18Å; L377-V438 HydrophobicContact CD2-CG2 4.3Å; K378-V438 WeakPolarHBondContact O-CB 3.49Å; K378-V438 VanDerWaalsContact O-CG2 3.23Å; K378-V438 WeakPolarHBondContact O-CG2 3.09Å; V379-V438 HydrophobicContact CB-CB 4.32Å; V379-V438 HydrophobicContact CB-CG1 4.24Å; V379-V438 HydrophobicContact CG2-CB 4.48Å; V379-V438 HydrophobicContact CG2-CG1 4.21Å; C430-V438 HydrophobicContact CB-CG1 3.81Å; C430-V438 HydrophobicContact CB-CG2 4.36Å; L431-V438 CarbonylContact O-C 3.39Å; L431-V438 WeakPolarHBondContact O-CA 3.23Å; V432-V438 HydrophobicContact CG2-CG2 4.32Å; V438-S440 WeakPolarHBondContact CG1-O 3.28Å; V438-S447 VanDerWaalsContact O-CB 3.31Å; V438-S447 WeakPolarHBondContact O-CB 3.32Å
439I94.8Very high92.8Very high0 Ų022.3 Ų22.30%013%0.131CC..EExtended strand (participates in β ladder)trans-89.3-25.7179.862.3169.4000112.6H358 V363 L367 L431 D433 D437 S447 T450H358-I439 PolarHBondContact CE1-O 2.87Å; H358-I439 VanDerWaalsContact CE1-O 3.27Å; V363-I439 HydrophobicContact CG1-CD1 3.95Å; V363-I439 HydrophobicContact CG2-CD1 4.37Å; L367-I439 HydrophobicContact CD2-CD1 3.72Å; L431-I439 HydrophobicContact CB-CG1 4.09Å; L431-I439 HydrophobicContact CD2-CD1 3.69Å; L431-I439 HydrophobicContact CD2-CG1 4Å; L431-I439 HydrophobicContact CG-CD1 4Å; L431-I439 HydrophobicContact CG-CG1 3.95Å; L431-I439 WeakPolarHBondContact O-CG1 3.03Å; L431-I439 PolarHBondContact O-N 3.35Å; D433-I439 HydrophobicContact CB-CG2 3.95Å; D437-I439 PolarHBondContact O-N 2.94Å; I439-S447 WeakPolarHBondContact O-CB 3.35Å; I439-S447 PolarHBondContact O-N 3.39Å; I439-T450 HydrophobicContact CB-CG2 3.82Å; I439-T450 HydrophobicContact CG2-CG2 3.58Å
440S95.4Very high92.8Very high1 Ų122.3 Ų22.31%0.00713%0.131CC..EExtended strand (participates in β ladder)trans-141.5138.1175.7-172.50000111.7C430 L431 V438 E462C430-S440 WeakPolarHBondContact CA-O 3.34Å; L431-S440 PolarHBondContact N-O 3.05Å; L431-S440 PolarHBondContact O-N 2.79Å; V438-S440 WeakPolarHBondContact CG1-O 3.28Å; S440-E462 WeakPolarHBondContact CB-OE1 3.26Å; S440-E462 PolarHBondContact OG-OE1 3.38Å
441F95Very high92.7Very high0 Ų026.1 Ų26.10%015%0.148CC..EExtended strand (participates in β ladder)trans-124.984.5172.4176.6-158.3000110.3L377 V379 A389 L392 I393 L422 Y428 P429 I444 T445L377-F441 HydrophobicContact CD1-CD2 3.9Å; L377-F441 HydrophobicContact CD1-CE2 3.97Å; L377-F441 HydrophobicContact CD1-CG 4.27Å; L377-F441 HydrophobicContact CD1-CZ 4.32Å; L377-F441 HydrophobicContact CD2-CD1 4.23Å; L377-F441 HydrophobicContact CD2-CG 4.24Å; V379-F441 HydrophobicContact CG1-CD1 4.45Å; A389-F441 HydrophobicContact CB-CE1 3.64Å; A389-F441 HydrophobicContact CB-CZ 3.91Å; L392-F441 HydrophobicContact CD2-CD1 4.16Å; L392-F441 HydrophobicContact CD2-CE1 4.38Å; I393-F441 HydrophobicContact CD1-CE1 4.47Å; I393-F441 HydrophobicContact CD1-CZ 4.16Å; L422-F441 HydrophobicContact CD1-CE2 3.71Å; L422-F441 HydrophobicContact CD1-CZ 3.55Å; Y428-F441 AromaticContact CD2-CE2 3.94Å; Y428-F441 HydrophobicContact CD2-CE2 3.94Å; Y428-F441 AromaticContact CD2-CZ 3.52Å; Y428-F441 HydrophobicContact CD2-CZ 3.52Å; Y428-F441 HydrophobicContact CE2-CZ 4.14Å; Y428-F441 AromaticContact CG-CE2 3.93Å; Y428-F441 HydrophobicContact CG-CE2 3.93Å; Y428-F441 AromaticContact CG-CZ 3.99Å; Y428-F441 HydrophobicContact CG-CZ 3.99Å; P429-F441 WeakPolarHBondContact O-CD2 3.37Å; F441-I444 HydrophobicContact CD1-CB 4Å; F441-I444 HydrophobicContact CD1-CG1 4.09Å; F441-I444 HydrophobicContact CD1-CG2 4.43Å; F441-I444 HydrophobicContact CE1-CB 4.2Å; F441-I444 HydrophobicContact CE1-CG1 3.8Å; F441-I444 HydrophobicContact CE2-CG1 4.21Å; F441-I444 HydrophobicContact CG-CB 4.33Å; F441-I444 HydrophobicContact CG-CG1 4.45Å; F441-I444 HydrophobicContact CZ-CG1 3.87Å; F441-I444 WeakPolarHBondContact O-CA 3.36Å; F441-I444 WeakPolarHBondContact O-CB 3Å; F441-I444 PolarHBondContact O-N 2.91Å; F441-T445 PolarHBondContact N-O 3.44Å; F441-T445 PolarHBondContact O-N 3.01Å; F441-T445 VanDerWaalsContact O-N 3.08Å
442P92Very high92.7Very high1 Ų126.9 Ų26.91%0.00615%0.152CC..THydrogen-bonded Turntrans-70.4143.6178.6-2033.6000113.3P429 I444 T464P429-P442 WeakPolarHBondContact CG-O 3.36Å; P442-I444 VanDerWaalsContact C-N 3.34Å; P442-T464 WeakPolarHBondContact CB-OG1 3.08Å; P442-T464 HydrophobicContact CG-CG2 4.07Å
443P90.9Very high92.5Very high2 Ų232 Ų321%0.01317%0.173CC..THydrogen-bonded Turncis-88.516.4-336.7-36.6000114.2R350 T354 Y418R350-P443 HydrophobicContact CB-CB 4.44Å; T354-P443 HydrophobicContact CG2-CB 4.38Å; T354-P443 VanDerWaalsContact OG1-CB 3.25Å; T354-P443 WeakPolarHBondContact OG1-CB 3.3Å; Y418-P443 HydrophobicContact CD2-CG 4.29Å
444I91.3Very high92.3Very high7 Ų736.9 Ų36.94%0.03619%0.194CC..THydrogen-bonded Turntrans-81.9-67.9-165.2-53.9-59.9000112.6R350 L392 L396 Y418 L419 L422 F441 P442R350-I444 PolarHBondContact NH1-O 2.92Å; L392-I444 HydrophobicContact CD2-CG2 3.9Å; L392-I444 HydrophobicContact CG-CG2 4.4Å; L396-I444 HydrophobicContact CD1-CG2 3.55Å; Y418-I444 HydrophobicContact CD2-CD1 3.83Å; Y418-I444 HydrophobicContact CE2-CD1 3.75Å; L419-I444 HydrophobicContact CD2-CD1 3.64Å; L422-I444 HydrophobicContact CD1-CD1 3.71Å; L422-I444 HydrophobicContact CD1-CG1 3.58Å; F441-I444 HydrophobicContact CD1-CB 4Å; F441-I444 HydrophobicContact CD1-CG1 4.09Å; F441-I444 HydrophobicContact CD1-CG2 4.43Å; F441-I444 HydrophobicContact CE1-CB 4.2Å; F441-I444 HydrophobicContact CE1-CG1 3.8Å; F441-I444 HydrophobicContact CE2-CG1 4.21Å; F441-I444 HydrophobicContact CG-CB 4.33Å; F441-I444 HydrophobicContact CG-CG1 4.45Å; F441-I444 HydrophobicContact CZ-CG1 3.87Å; F441-I444 WeakPolarHBondContact O-CA 3.36Å; F441-I444 WeakPolarHBondContact O-CB 3Å; F441-I444 PolarHBondContact O-N 2.91Å; P442-I444 VanDerWaalsContact C-N 3.34Å
445T91.8Very high92.2Very high25 Ų2538.5 Ų38.515%0.15320%0.198CC..EExtended strand (participates in β ladder)trans-161.3159.9-167.6-1700000112.7P381 L392 F441P381-T445 HydrophobicContact CB-CG2 4.04Å; L392-T445 HydrophobicContact CD2-CG2 3.96Å; F441-T445 PolarHBondContact N-O 3.44Å; F441-T445 PolarHBondContact O-N 3.01Å; F441-T445 VanDerWaalsContact O-N 3.08Å
446N93.3Very high92.1Very high22 Ų2233.9 Ų33.912%0.11817%0.174CC..EExtended strand (participates in β ladder)trans-89.1164.8165.5-65.312.7000110.2A356 T357 H358 L382A356-N446 WeakPolarHBondContact CB-ND2 3.43Å; A356-N446 WeakPolarHBondContact CB-OD1 3.14Å; T357-N446 PolarHBondContact N-ND2 3Å; T357-N446 PolarHBondContact O-ND2 3.4Å; H358-N446 PolarHBondContact CE1-ND2 3.14Å; L382-N446 HydrophobicContact CD1-CB 4.4Å; L382-N446 PolarHBondContact N-O 3.23Å
447S94.1Very high91.9Very high1 Ų134.8 Ų34.81%0.00717%0.172CC..BIsolated β-bridgetrans-81.1142.2172.6-173.60000112V380 V438 I439 K449 T450V380-S447 CarbonylContact O-C 3.47Å; V380-S447 VanDerWaalsContact O-CA 3.24Å; V380-S447 WeakPolarHBondContact O-CA 3.26Å; V438-S447 VanDerWaalsContact O-CB 3.31Å; V438-S447 WeakPolarHBondContact O-CB 3.32Å; I439-S447 WeakPolarHBondContact O-CB 3.35Å; I439-S447 PolarHBondContact O-N 3.39Å; S447-K449 PolarHBondContact O-N 3.16Å; S447-K449 PolarHBondContact OG-N 3.37Å; S447-T450 PolarHBondContact O-N 3.3Å; S447-T450 PolarHBondContact O-OG1 3.06Å
448E93.2Very high91.7Very high67 Ų6735.7 Ų35.731%0.31317%0.174SC..G310 helixtrans-61.2-25.7170.8-170.872.3-152.300111.6V380 L382 G383 T450 K451V380-E448 HydrophobicContact CG1-CB 4.04Å; V380-E448 PolarHBondContact O-N 2.86Å; L382-E448 VanDerWaalsContact CA-OE2 3.22Å; L382-E448 WeakPolarHBondContact CA-OE2 3.3Å; G383-E448 PolarHBondContact N-OE2 2.68Å; E448-T450 VanDerWaalsContact C-N 3.25Å; E448-T450 PolarHBondContact O-N 3.45Å; E448-K451 VanDerWaalsContact CD-CD 3.48Å; E448-K451 VanDerWaalsContact O-CB 3.31Å; E448-K451 WeakPolarHBondContact O-CB 3.39Å; E448-K451 PolarHBondContact O-N 2.97Å; E448-K451 WeakPolarHBondContact OE1-CD 3.45Å; E448-K451 WeakPolarHBondContact OE1-CE 3.25Å; E448-K451 IonicContact OE1-NZ 2.69Å; E448-K451 PolarHBondContact OE1-NZ 3.19Å; E448-K451 IonicContact OE2-NZ 2.65Å; E448-K451 PolarHBondContact OE2-NZ 2.93Å
449K92Very high91.4Very high88 Ų8835.4 Ų35.438%0.38317%0.173SC..G310 helixtrans-60.6-33.1178.1-65.6-173.3174.3-173.80113.1L362 D437 S447L362-K449 WeakPolarHBondContact CD1-O 3.48Å; D437-K449 HydrophobicContact CB-CD 4.25Å; D437-K449 IonicContact OD1-NZ 3.47Å; D437-K449 PolarHBondContact OD1-NZ 3.42Å; D437-K449 WeakPolarHBondContact OD2-CD 3.38Å; D437-K449 IonicContact OD2-NZ 3.98Å; D437-K449 PolarHBondContact OD2-NZ 3.44Å; S447-K449 PolarHBondContact O-N 3.16Å; S447-K449 PolarHBondContact OG-N 3.37Å
450T93.6Very high91.2Very high2 Ų235.7 Ų35.71%0.01218%0.175CC..G310 helixtrans-109.320.9-17757.10000112.9H358 D359 V363 I439 S447 E448 I452H358-T450 WeakPolarHBondContact CA-O 3.21Å; H358-T450 PolarHBondContact ND1-OG1 2.83Å; D359-T450 PolarHBondContact N-O 3.25Å; V363-T450 HydrophobicContact CG2-CG2 3.69Å; I439-T450 HydrophobicContact CB-CG2 3.82Å; I439-T450 HydrophobicContact CG2-CG2 3.58Å; S447-T450 PolarHBondContact O-N 3.3Å; S447-T450 PolarHBondContact O-OG1 3.06Å; E448-T450 VanDerWaalsContact C-N 3.25Å; E448-T450 PolarHBondContact O-N 3.45Å; T450-I452 PolarHBondContact O-N 3.03Å
451K93.4Very high91Very high81 Ų8135.7 Ų35.735%0.35217%0.174SC..  trans-66.9130.6-172.8179.9176.8-177.4170.70112L382 E448L382-K451 HydrophobicContact CD2-CB 3.97Å; L382-K451 HydrophobicContact CD2-CD 3.83Å; L382-K451 HydrophobicContact CD2-CG 3.88Å; E448-K451 VanDerWaalsContact CD-CD 3.48Å; E448-K451 VanDerWaalsContact O-CB 3.31Å; E448-K451 WeakPolarHBondContact O-CB 3.39Å; E448-K451 PolarHBondContact O-N 2.97Å; E448-K451 WeakPolarHBondContact OE1-CD 3.45Å; E448-K451 WeakPolarHBondContact OE1-CE 3.25Å; E448-K451 IonicContact OE1-NZ 2.69Å; E448-K451 PolarHBondContact OE1-NZ 3.19Å; E448-K451 IonicContact OE2-NZ 2.65Å; E448-K451 PolarHBondContact OE2-NZ 2.93Å
452I92.9Very high90.9Very high16 Ų1635.7 Ų35.78%0.08217%0.174CC..  trans-65.1136.8173.164.8173.9000111.4L332 F335 L336 T450 L459L332-I452 HydrophobicContact CD1-CD1 3.69Å; L332-I452 HydrophobicContact CD1-CG1 3.95Å; F335-I452 HydrophobicContact CD1-CD1 3.69Å; F335-I452 HydrophobicContact CE1-CD1 3.53Å; L336-I452 HydrophobicContact CD2-CD1 3.75Å; L336-I452 HydrophobicContact CG-CD1 4.34Å; T450-I452 PolarHBondContact O-N 3.03Å; I452-L459 HydrophobicContact CB-CD2 4.32Å; I452-L459 HydrophobicContact CG2-CD2 3.43Å; I452-L459 VanDerWaalsContact CG2-CD2 3.43Å
453K90.3Very high90.8Very high112 Ų11235.7 Ų35.749%0.48717%0.174SC..  trans-122.8170.3179-65.1175.3-173.61720109.2T455 T456K453-T455 PolarHBondContact O-N 2.89Å; K453-T456 PolarHBondContact N-OG1 3.21Å; K453-T456 WeakPolarHBondContact O-CB 3.44Å; K453-T456 PolarHBondContact O-N 3.26Å; K453-T456 VanDerWaalsContact O-N 3.09Å; K453-T456 PolarHBondContact O-OG1 3.32Å
454K87.5Confident90.8Very high115 Ų11535.6 Ų35.650%0.517%0.173SC..THydrogen-bonded Turntrans-58.3-28.8172.4-70.1-170.7178.6-170.10112L326 K327 L332 T456L326-K454 CarbonylContact C-O 3.49Å; L326-K454 VanDerWaalsContact C-O 3.29Å; L326-K454 WeakPolarHBondContact CB-O 3.32Å; K327-K454 WeakPolarHBondContact CA-O 3.32Å; K327-K454 WeakPolarHBondContact CG-O 3.39Å; K327-K454 PolarHBondContact N-O 3.38Å; K327-K454 VanDerWaalsContact N-O 3.16Å; L332-K454 HydrophobicContact CB-CG 4.41Å; L332-K454 HydrophobicContact CD2-CG 3.95Å; K454-T456 VanDerWaalsContact C-N 3.34Å
455T87.3Confident90.7Very high88 Ų8835.2 Ų35.254%0.5417%0.172SC..THydrogen-bonded Turntrans-81-10.1179.852.80000114.2K453 T457K453-T455 PolarHBondContact O-N 2.89Å; T455-T457 PolarHBondContact O-N 3.41Å
456T89.1Confident90.3Very high0 Ų036.4 Ų36.40%018%0.181CC..  trans-67.6124.7-178.7-55.40000110.1D359 K453 K454 E458 L459D359-T456 HydrophobicContact CB-CG2 3.87Å; D359-T456 VanDerWaalsContact CG-CG2 3.45Å; D359-T456 WeakPolarHBondContact OD2-CB 3.35Å; D359-T456 WeakPolarHBondContact OD2-CG2 3.43Å; D359-T456 PolarHBondContact OD2-OG1 3.03Å; K453-T456 PolarHBondContact N-OG1 3.21Å; K453-T456 WeakPolarHBondContact O-CB 3.44Å; K453-T456 PolarHBondContact O-N 3.26Å; K453-T456 VanDerWaalsContact O-N 3.09Å; K453-T456 PolarHBondContact O-OG1 3.32Å; K454-T456 VanDerWaalsContact C-N 3.34Å; T456-E458 VanDerWaalsContact CG2-O 3.31Å; T456-E458 WeakPolarHBondContact CG2-O 3.31Å; T456-L459 HydrophobicContact CG2-CD2 3.63Å; T456-L459 HydrophobicContact CG2-CG 4.09Å
457T84.5Confident89.8Confident56 Ų5639 Ų3934%0.34420%0.197SC..  trans-113.8-20.2179.452.70000113.1G323 M324 Q361 T455G323-T457 PolarHBondContact N-O 2.79Å; M324-T457 PolarHBondContact N-O 3.06Å; Q361-T457 PolarHBondContact NE2-OG1 3.17Å; T455-T457 PolarHBondContact O-N 3.41Å
458E87.7Confident89.4Confident60 Ų6040.8 Ų40.828%0.2821%0.21SC..EExtended strand (participates in β ladder)trans-123127178.4-58.9-164.217000109.7V321 R322 A360 T456V321-E458 WeakPolarHBondContact O-CA 3.46Å; R322-E458 HydrophobicContact CB-CG 4.38Å; R322-E458 WeakPolarHBondContact CD-OE1 3.46Å; R322-E458 HydrophobicContact CG-CG 3.99Å; R322-E458 IonicContact NE-OE1 3.98Å; R322-E458 IonicContact NE-OE2 2.7Å; A360-E458 HydrophobicContact CB-CB 3.87Å; A360-E458 WeakPolarHBondContact CB-O 3.45Å; A360-E458 PolarHBondContact N-O 2.8Å; T456-E458 VanDerWaalsContact CG2-O 3.31Å; T456-E458 WeakPolarHBondContact CG2-O 3.31Å
459L89.5Confident88.7Confident0 Ų039.6 Ų39.60%021%0.206CC..EExtended strand (participates in β ladder)trans-120122.6-174.3-69.7160.7000109.6V321 M324 F335 H358 I452 T456 I461 M483V321-L459 PolarHBondContact N-O 2.7Å; V321-L459 PolarHBondContact O-N 3.31Å; M324-L459 HydrophobicContact CB-CD1 3.95Å; M324-L459 HydrophobicContact CE-CD1 3.52Å; M324-L459 HydrophobicContact CG-CD1 3.93Å; M324-L459 HydrophobicContact SD-CD1 4.49Å; F335-L459 HydrophobicContact CZ-CD1 4.31Å; H358-L459 WeakPolarHBondContact O-CA 3.28Å; I452-L459 HydrophobicContact CB-CD2 4.32Å; I452-L459 HydrophobicContact CG2-CD2 3.43Å; I452-L459 VanDerWaalsContact CG2-CD2 3.43Å; T456-L459 HydrophobicContact CG2-CD2 3.63Å; T456-L459 HydrophobicContact CG2-CG 4.09Å; L459-I461 HydrophobicContact CB-CG1 4.41Å; L459-M483 HydrophobicContact CB-CE 4.43Å; L459-M483 HydrophobicContact CD1-CE 3.37Å
460L90.3Very high87.9Confident6 Ų640.1 Ų40.13%0.03121%0.21CC..EExtended strand (participates in β ladder)trans-86.1119.2163.1172.269.1000107.5C318 H358 A360 V363 L367C318-L460 HydrophobicContact CB-CD1 4.47Å; H358-L460 HydrophobicContact CB-CB 4.18Å; H358-L460 PolarHBondContact N-O 2.95Å; H358-L460 PolarHBondContact O-N 3.09Å; A360-L460 HydrophobicContact CB-CB 4.3Å; V363-L460 HydrophobicContact CG1-CD2 4.02Å; V363-L460 HydrophobicContact CG2-CD2 4.18Å; L367-L460 HydrophobicContact CD1-CD2 3.66Å
461I90.9Very high87.3Confident0 Ų041.4 Ų41.40%022%0.217CC..EExtended strand (participates in β ladder)trans-109.1130.6178.4-51.7180000107.9C318 C319 V321 T357 L459 M476 L479 M483C318-I461 CarbonylContact C-O 3.23Å; C318-I461 WeakPolarHBondContact CA-O 3.43Å; C319-I461 PolarHBondContact N-O 3.16Å; C319-I461 PolarHBondContact O-N 3.11Å; V321-I461 HydrophobicContact CB-CD1 4.36Å; V321-I461 HydrophobicContact CG2-CD1 3.52Å; V321-I461 HydrophobicContact CG2-CG1 4.25Å; T357-I461 HydrophobicContact CG2-CG1 4.42Å; T357-I461 HydrophobicContact CG2-CG2 4.38Å; L459-I461 HydrophobicContact CB-CG1 4.41Å; I461-M476 HydrophobicContact CB-CE 4.28Å; I461-M476 HydrophobicContact CB-SD 4.11Å; I461-M476 HydrophobicContact CG2-CE 3.88Å; I461-M476 HydrophobicContact CG2-SD 3.57Å; I461-M476 VanDerWaalsContact CG2-SD 3.57Å; I461-L479 HydrophobicContact CD1-CD2 4.12Å; I461-L479 HydrophobicContact CG2-CD2 3.56Å; I461-M483 HydrophobicContact CD1-CE 3.89Å; I461-M483 HydrophobicContact CD1-SD 3.34Å; I461-M483 WeakPolarHBondContact CD1-SD 3.47Å
462E92.6Very high86.7Confident1 Ų137.5 Ų37.51%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-121.6143.3169.159.5159.8-144.600111.1L316 V317 A356 H358 L431 S440L316-E462 HydrophobicContact CD1-CB 4Å; V317-E462 CarbonylContact O-C 3.59Å; V317-E462 WeakPolarHBondContact O-CA 3.04Å; A356-E462 HydrophobicContact CB-CG 3.49Å; A356-E462 VanDerWaalsContact CB-CG 3.49Å; A356-E462 WeakPolarHBondContact CB-OE1 3.24Å; A356-E462 PolarHBondContact N-O 3.26Å; A356-E462 PolarHBondContact O-N 3.46Å; H358-E462 IonicContact NE2-OE1 3.09Å; L431-E462 WeakPolarHBondContact CD2-OE2 3.45Å; S440-E462 WeakPolarHBondContact CB-OE1 3.26Å; S440-E462 PolarHBondContact OG-OE1 3.38Å
463V91.3Very high86.1Confident0 Ų038.4 Ų38.40%020%0.204CC..EExtended strand (participates in β ladder)trans-128.5119170.3-176.10000108.6L316 V317 A353 T354 I355 C472 V475 M476L316-V463 WeakPolarHBondContact CA-O 3.41Å; V317-V463 PolarHBondContact N-O 3.34Å; V317-V463 PolarHBondContact O-N 3.09Å; A353-V463 HydrophobicContact CB-CG1 4.37Å; T354-V463 WeakPolarHBondContact O-CA 3.46Å; I355-V463 HydrophobicContact CG1-CG2 4.38Å; V463-C472 HydrophobicContact CB-CB 4.3Å; V463-C472 HydrophobicContact CG1-CB 3.95Å; V463-C472 PolarHBondContact O-SG 3.08Å; V463-V475 HydrophobicContact CG1-CB 4.02Å; V463-V475 HydrophobicContact CG1-CG1 3.8Å; V463-V475 HydrophobicContact CG2-CG1 4.04Å; V463-M476 HydrophobicContact CB-CE 4.33Å; V463-M476 HydrophobicContact CG2-CB 4.27Å; V463-M476 HydrophobicContact CG2-CE 3.74Å; V463-M476 HydrophobicContact CG2-SD 4.15Å
464T90.4Very high85.6Confident0 Ų036.3 Ų36.30%020%0.198CC..EExtended strand (participates in β ladder)trans-110.2144.2176.660.30000111.9R313 Y315 L316 A353 T354 Y369 P442R313-T464 PolarHBondContact NE-OG1 2.89Å; R313-T464 PolarHBondContact NH2-O 3.09Å; Y315-T464 CarbonylContact O-C 3.55Å; Y315-T464 WeakPolarHBondContact O-CA 3.33Å; L316-T464 HydrophobicContact CB-CG2 4.48Å; L316-T464 HydrophobicContact CD1-CG2 3.42Å; L316-T464 VanDerWaalsContact CD1-CG2 3.42Å; A353-T464 CarbonylContact C-O 3.6Å; A353-T464 VanDerWaalsContact CA-O 3.22Å; A353-T464 WeakPolarHBondContact CA-O 3.33Å; T354-T464 PolarHBondContact N-O 3.32Å; T354-T464 PolarHBondContact O-N 3.09Å; Y369-T464 HydrophobicContact CE2-CG2 4.18Å; Y369-T464 WeakPolarHBondContact OH-CG2 3.42Å; P442-T464 WeakPolarHBondContact CB-OG1 3.08Å; P442-T464 HydrophobicContact CG-CG2 4.07Å
465S88.4Confident85.4Confident0 Ų030.9 Ų30.90%017%0.174CC..EExtended strand (participates in β ladder)trans-140.3148.1175.9-179.30000111.8R313 Y315 I352 T467 S468 C472R313-S465 WeakPolarHBondContact CG-O 3.32Å; Y315-S465 WeakPolarHBondContact CD2-O 3.48Å; Y315-S465 PolarHBondContact N-O 3.43Å; Y315-S465 PolarHBondContact O-N 2.96Å; I352-S465 WeakPolarHBondContact O-CA 3.47Å; I352-S465 WeakPolarHBondContact O-CB 3.39Å; I352-S465 PolarHBondContact O-OG 3.1Å; S465-T467 PolarHBondContact OG-N 2.72Å; S465-T467 PolarHBondContact OG-OG1 3.14Å; S465-S468 PolarHBondContact OG-N 3.12Å; S465-C472 WeakPolarHBondContact CB-SG 3.18Å; S465-C472 PolarHBondContact N-SG 3.1Å; S465-C472 VanDerWaalsContact N-SG 3.44Å
466S84.8Confident85.3Confident49 Ų4927 Ų2734%0.34315%0.15SC..SBendtrans-94-6.6169.548.50000113.3R313R313-S466 PolarHBondContact NH1-OG 2.98Å
467T83.1Confident84.8Confident76 Ų7629 Ų2947%0.46616%0.161SC..SBendtrans-112.9-47-17055.90000113.4I352 S465I352-T467 HydrophobicContact CG2-CG2 4.19Å; I352-T467 VanDerWaalsContact CG2-OG1 3.23Å; I352-T467 WeakPolarHBondContact CG2-OG1 3.41Å; S465-T467 PolarHBondContact OG-N 2.72Å; S465-T467 PolarHBondContact OG-OG1 3.14Å
468S84.1Confident84.7Confident40 Ų4027.5 Ų27.528%0.2815%0.154SC..  trans-159.3140.1-173.4173.50000112.8S465 Q470 T471 C472S465-S468 PolarHBondContact OG-N 3.12Å; S468-Q470 VanDerWaalsContact C-N 3.27Å; S468-Q470 PolarHBondContact O-N 3.09Å; S468-Q470 WeakPolarHBondContact OG-CB 3.47Å; S468-Q470 PolarHBondContact OG-N 3.15Å; S468-T471 PolarHBondContact O-N 3.22Å; S468-C472 PolarHBondContact O-N 3.05Å
469L78.2Confident84.6Confident42 Ų4224.7 Ų24.722%0.2214%0.141CC..Hα-helixtrans-62-36.2167.9-177.663.5000111.8Y315 V317 T471 C472 K473Y315-L469 HydrophobicContact CD1-CB 3.66Å; Y315-L469 HydrophobicContact CD1-CD1 4.48Å; Y315-L469 HydrophobicContact CE1-CB 4.07Å; Y315-L469 HydrophobicContact CG-CB 4.27Å; V317-L469 HydrophobicContact CG2-CD1 3.7Å; L469-T471 VanDerWaalsContact C-N 3.29Å; L469-T471 PolarHBondContact O-N 3.15Å; L469-C472 WeakPolarHBondContact O-CB 3.49Å; L469-C472 PolarHBondContact O-N 3.05Å; L469-C472 VanDerWaalsContact O-N 3.11Å; L469-K473 PolarHBondContact O-N 3.15Å; L469-K473 VanDerWaalsContact O-N 3.07Å
470Q76.8Confident84.3Confident99 Ų9926 Ų2646%0.46315%0.148SC..Hα-helixtrans-62.6-40.4-179.9-170.358.842.700110.6S468 C472 K473 D474S468-Q470 VanDerWaalsContact C-N 3.27Å; S468-Q470 PolarHBondContact O-N 3.09Å; S468-Q470 WeakPolarHBondContact OG-CB 3.47Å; S468-Q470 PolarHBondContact OG-N 3.15Å; Q470-C472 VanDerWaalsContact C-N 3.29Å; Q470-C472 PolarHBondContact O-N 2.88Å; Q470-K473 WeakPolarHBondContact O-CB 3.45Å; Q470-K473 PolarHBondContact O-N 3.06Å; Q470-K473 VanDerWaalsContact O-N 3.07Å; Q470-D474 PolarHBondContact NE2-OD1 3.36Å; Q470-D474 PolarHBondContact O-N 3.39Å
471T79.9Confident83.7Confident28 Ų2830.5 Ų30.517%0.17217%0.171CC..Hα-helixtrans-61.2-38.9174.7-520000111.9I352 A353 S468 L469 K473 V475I352-T471 HydrophobicContact CG2-CG2 3.88Å; A353-T471 HydrophobicContact CB-CG2 4.06Å; S468-T471 PolarHBondContact O-N 3.22Å; L469-T471 VanDerWaalsContact C-N 3.29Å; L469-T471 PolarHBondContact O-N 3.15Å; T471-K473 VanDerWaalsContact C-N 3.32Å; T471-K473 PolarHBondContact O-N 3.07Å; T471-V475 HydrophobicContact CG2-CG2 4.3Å; T471-V475 VanDerWaalsContact O-CB 3.32Å; T471-V475 WeakPolarHBondContact O-CB 3.42Å; T471-V475 WeakPolarHBondContact O-CG2 3.11Å; T471-V475 PolarHBondContact O-N 3.28Å
472C80.9Confident83.2Confident0 Ų034.2 Ų34.20%019%0.187CC..Hα-helixtrans-61.6-41.6174.1-67.10000112.1V317 V463 S465 S468 L469 Q470 M476V317-C472 HydrophobicContact CB-CB 4.11Å; V317-C472 HydrophobicContact CG2-CB 3.48Å; V317-C472 VanDerWaalsContact CG2-CB 3.48Å; V463-C472 HydrophobicContact CB-CB 4.3Å; V463-C472 HydrophobicContact CG1-CB 3.95Å; V463-C472 PolarHBondContact O-SG 3.08Å; S465-C472 WeakPolarHBondContact CB-SG 3.18Å; S465-C472 PolarHBondContact N-SG 3.1Å; S465-C472 VanDerWaalsContact N-SG 3.44Å; S468-C472 PolarHBondContact O-N 3.05Å; L469-C472 WeakPolarHBondContact O-CB 3.49Å; L469-C472 PolarHBondContact O-N 3.05Å; L469-C472 VanDerWaalsContact O-N 3.11Å; Q470-C472 VanDerWaalsContact C-N 3.29Å; Q470-C472 PolarHBondContact O-N 2.88Å; C472-M476 VanDerWaalsContact O-CB 3.28Å; C472-M476 WeakPolarHBondContact O-CB 3.27Å; C472-M476 PolarHBondContact O-N 2.88Å
473K80.4Confident82.7Confident34 Ų3434.3 Ų34.315%0.14819%0.188CC..Hα-helixtrans-64.5-51.7178.4-67.1178.1179.3179.90111.4L469 Q470 T471 V475 M476 D477 V549L469-K473 PolarHBondContact O-N 3.15Å; L469-K473 VanDerWaalsContact O-N 3.07Å; Q470-K473 WeakPolarHBondContact O-CB 3.45Å; Q470-K473 PolarHBondContact O-N 3.06Å; Q470-K473 VanDerWaalsContact O-N 3.07Å; T471-K473 VanDerWaalsContact C-N 3.32Å; T471-K473 PolarHBondContact O-N 3.07Å; K473-V475 VanDerWaalsContact C-N 3.26Å; K473-V475 PolarHBondContact O-N 3.25Å; K473-M476 WeakPolarHBondContact O-CA 3.41Å; K473-M476 WeakPolarHBondContact O-CB 3.38Å; K473-M476 PolarHBondContact O-N 2.76Å; K473-D477 VanDerWaalsContact O-CG 3.27Å; K473-D477 PolarHBondContact O-N 3.25Å; K473-V549 PolarHBondContact NZ-O 3.18Å
474D79.1Confident82Confident69 Ų6935.1 Ų35.137%0.36919%0.194SC..Hα-helixtrans-59.1-39.9-179.2-57.7-22.2000111.5L346 Q470 A478L346-D474 HydrophobicContact CD2-CB 4.37Å; Q470-D474 PolarHBondContact NE2-OD1 3.36Å; Q470-D474 PolarHBondContact O-N 3.39Å; D474-A478 VanDerWaalsContact O-CB 3.31Å; D474-A478 WeakPolarHBondContact O-CB 3.41Å; D474-A478 PolarHBondContact O-N 2.9Å
475V85.1Confident81.5Confident0 Ų039.5 Ų39.50%022%0.215CC..Hα-helixtrans-67.6-42.3175.9170.60000111.7L346 A353 I355 V463 T471 K473 L479L346-V475 HydrophobicContact CB-CG2 4.2Å; L346-V475 HydrophobicContact CD2-CB 4.18Å; L346-V475 HydrophobicContact CD2-CG2 3.51Å; L346-V475 HydrophobicContact CG-CG2 3.61Å; A353-V475 HydrophobicContact CB-CG2 4.2Å; I355-V475 HydrophobicContact CD1-CG1 3.57Å; I355-V475 HydrophobicContact CG1-CG1 3.35Å; V463-V475 HydrophobicContact CG1-CB 4.02Å; V463-V475 HydrophobicContact CG1-CG1 3.8Å; V463-V475 HydrophobicContact CG2-CG1 4.04Å; T471-V475 HydrophobicContact CG2-CG2 4.3Å; T471-V475 VanDerWaalsContact O-CB 3.32Å; T471-V475 WeakPolarHBondContact O-CB 3.42Å; T471-V475 WeakPolarHBondContact O-CG2 3.11Å; T471-V475 PolarHBondContact O-N 3.28Å; K473-V475 VanDerWaalsContact C-N 3.26Å; K473-V475 PolarHBondContact O-N 3.25Å; V475-L479 WeakPolarHBondContact O-CB 3.47Å; V475-L479 PolarHBondContact O-N 3.4Å
476M84.9Confident81Confident8 Ų841.2 Ų41.24%0.03922%0.224CC..Hα-helixtrans-61.5-47.2176.5-173.56583.900110.8V317 C319 I461 V463 C472 K473 L479 I480V317-M476 HydrophobicContact CB-CE 4.28Å; V317-M476 HydrophobicContact CG1-CE 3.82Å; V317-M476 HydrophobicContact CG1-CG 4.36Å; V317-M476 VanDerWaalsContact O-CE 3.28Å; V317-M476 WeakPolarHBondContact O-CE 3.44Å; C319-M476 PolarHBondContact SG-SD 2.84Å; I461-M476 HydrophobicContact CB-CE 4.28Å; I461-M476 HydrophobicContact CB-SD 4.11Å; I461-M476 HydrophobicContact CG2-CE 3.88Å; I461-M476 HydrophobicContact CG2-SD 3.57Å; I461-M476 VanDerWaalsContact CG2-SD 3.57Å; V463-M476 HydrophobicContact CB-CE 4.33Å; V463-M476 HydrophobicContact CG2-CB 4.27Å; V463-M476 HydrophobicContact CG2-CE 3.74Å; V463-M476 HydrophobicContact CG2-SD 4.15Å; C472-M476 VanDerWaalsContact O-CB 3.28Å; C472-M476 WeakPolarHBondContact O-CB 3.27Å; C472-M476 PolarHBondContact O-N 2.88Å; K473-M476 WeakPolarHBondContact O-CA 3.41Å; K473-M476 WeakPolarHBondContact O-CB 3.38Å; K473-M476 PolarHBondContact O-N 2.76Å; M476-L479 PolarHBondContact O-N 3.16Å; M476-I480 HydrophobicContact CG-CD1 3.83Å; M476-I480 HydrophobicContact CG-CG1 4.5Å; M476-I480 WeakPolarHBondContact O-CG1 3.46Å; M476-I480 PolarHBondContact O-N 3.14Å; M476-I480 HydrophobicContact SD-CD1 4.29Å
477D78.7Confident80.6Confident40 Ų4039.2 Ų39.221%0.21421%0.209CC..Hα-helixtrans-61.7-47.3179.3-66.9-25.2000111.3K473 L479 I480 I481 V546K473-D477 VanDerWaalsContact O-CG 3.27Å; K473-D477 PolarHBondContact O-N 3.25Å; D477-L479 VanDerWaalsContact C-N 3.27Å; D477-L479 PolarHBondContact O-N 3.06Å; D477-I480 PolarHBondContact O-N 2.95Å; D477-I481 WeakPolarHBondContact O-CB 3.37Å; D477-I481 VanDerWaalsContact O-CG1 3.25Å; D477-I481 WeakPolarHBondContact O-CG1 3.32Å; D477-I481 PolarHBondContact O-N 3.12Å; D477-V546 WeakPolarHBondContact OD1-CG1 3.49Å; D477-V546 WeakPolarHBondContact OD1-CG2 3.39Å
478A81.4Confident80.2Confident26 Ų2640.4 Ų40.422%0.21521%0.208CC..Hα-helixtrans-59.5-38.9176.700000112.1L342 L346 D474 K482L342-A478 HydrophobicContact CD2-CB 3.89Å; L346-A478 HydrophobicContact CD2-CB 4.23Å; D474-A478 VanDerWaalsContact O-CB 3.31Å; D474-A478 WeakPolarHBondContact O-CB 3.41Å; D474-A478 PolarHBondContact O-N 2.9Å; A478-K482 WeakPolarHBondContact O-CG 3.22Å; A478-K482 PolarHBondContact O-N 3.44Å; A478-K482 VanDerWaalsContact O-N 3.14Å
479L86.6Confident79.5Confident0 Ų041.1 Ų41.10%021%0.206CC..Hα-helixtrans-69.6-44.8177.3-176.267.2000111.9F335 L342 I355 T357 I461 V475 M476 D477 I481 K482 M483F335-L479 HydrophobicContact CE2-CD1 4.37Å; L342-L479 HydrophobicContact CD1-CB 3.9Å; L342-L479 HydrophobicContact CD1-CD1 3.74Å; L342-L479 HydrophobicContact CD1-CG 4.43Å; I355-L479 HydrophobicContact CG2-CD2 3.56Å; T357-L479 HydrophobicContact CG2-CD2 4.42Å; I461-L479 HydrophobicContact CD1-CD2 4.12Å; I461-L479 HydrophobicContact CG2-CD2 3.56Å; V475-L479 WeakPolarHBondContact O-CB 3.47Å; V475-L479 PolarHBondContact O-N 3.4Å; M476-L479 PolarHBondContact O-N 3.16Å; D477-L479 VanDerWaalsContact C-N 3.27Å; D477-L479 PolarHBondContact O-N 3.06Å; L479-I481 VanDerWaalsContact C-N 3.34Å; L479-I481 PolarHBondContact O-N 3.1Å; L479-K482 WeakPolarHBondContact O-CB 3.39Å; L479-K482 PolarHBondContact O-N 3.49Å; L479-K482 VanDerWaalsContact O-N 3.17Å; L479-M483 HydrophobicContact CG-SD 4.19Å; L479-M483 VanDerWaalsContact O-CG 3.3Å; L479-M483 WeakPolarHBondContact O-CG 3.43Å; L479-M483 PolarHBondContact O-N 3.31Å
480I82.4Confident79Confident29 Ų2939.9 Ų39.915%0.14920%0.2CC..Hα-helixtrans-61.8-43.7178.7-69.2168000110.5M476 D477 K482 M483 A484 V521M476-I480 HydrophobicContact CG-CD1 3.83Å; M476-I480 HydrophobicContact CG-CG1 4.5Å; M476-I480 WeakPolarHBondContact O-CG1 3.46Å; M476-I480 PolarHBondContact O-N 3.14Å; M476-I480 HydrophobicContact SD-CD1 4.29Å; D477-I480 PolarHBondContact O-N 2.95Å; I480-K482 VanDerWaalsContact C-N 3.3Å; I480-K482 PolarHBondContact O-N 3.05Å; I480-M483 WeakPolarHBondContact O-CB 3.27Å; I480-M483 PolarHBondContact O-N 2.93Å; I480-M483 VanDerWaalsContact O-N 3.12Å; I480-A484 PolarHBondContact O-N 3.12Å; I480-V521 HydrophobicContact CD1-CG1 4.17Å; I480-V521 HydrophobicContact CG2-CG2 4.14Å
481I77.4Confident78.5Confident99 Ų9936.8 Ų36.851%0.50819%0.192SC..Hα-helixtrans-58.5-45.1175.3-68.7165.7000110.2D477 L479 M483 A484 E485D477-I481 WeakPolarHBondContact O-CB 3.37Å; D477-I481 VanDerWaalsContact O-CG1 3.25Å; D477-I481 WeakPolarHBondContact O-CG1 3.32Å; D477-I481 PolarHBondContact O-N 3.12Å; L479-I481 VanDerWaalsContact C-N 3.34Å; L479-I481 PolarHBondContact O-N 3.1Å; I481-M483 VanDerWaalsContact C-N 3.31Å; I481-M483 PolarHBondContact O-N 3.15Å; I481-A484 PolarHBondContact O-N 3.42Å; I481-E485 WeakPolarHBondContact O-CG 3.34Å; I481-E485 PolarHBondContact O-N 3.13Å
482K81.3Confident77.6Confident79 Ų7940.6 Ų40.634%0.34321%0.208SC..Hα-helixtrans-64-36176.8-71.4-74.2161.6-123.10112.5A478 L479 I480 E485 L486A478-K482 WeakPolarHBondContact O-CG 3.22Å; A478-K482 PolarHBondContact O-N 3.44Å; A478-K482 VanDerWaalsContact O-N 3.14Å; L479-K482 WeakPolarHBondContact O-CB 3.39Å; L479-K482 PolarHBondContact O-N 3.49Å; L479-K482 VanDerWaalsContact O-N 3.17Å; I480-K482 VanDerWaalsContact C-N 3.3Å; I480-K482 PolarHBondContact O-N 3.05Å; K482-E485 IonicContact NZ-OE1 2.74Å; K482-E485 PolarHBondContact NZ-OE1 3.14Å; K482-E485 IonicContact NZ-OE2 3.98Å; K482-E485 PolarHBondContact NZ-OE2 3.11Å; K482-L486 WeakPolarHBondContact O-CB 3.33Å; K482-L486 WeakPolarHBondContact O-CG 3.5Å; K482-L486 PolarHBondContact O-N 3.28Å
483M82.4Confident76.6Confident3 Ų345 Ų452%0.01523%0.228CC..Hα-helixtrans-65.6-41174-70.2173.57500111.9V321 M324 F335 L459 I461 L479 I480 I481 L486 N487V321-M483 HydrophobicContact CB-CE 4.03Å; V321-M483 HydrophobicContact CG1-CE 3.75Å; V321-M483 HydrophobicContact CG2-CE 4.31Å; M324-M483 HydrophobicContact CE-CE 4.39Å; M324-M483 HydrophobicContact CG-CE 4.01Å; F335-M483 HydrophobicContact CD2-CG 4.02Å; F335-M483 HydrophobicContact CE2-CE 4.02Å; F335-M483 HydrophobicContact CE2-CG 3.51Å; F335-M483 HydrophobicContact CE2-SD 3.77Å; F335-M483 HydrophobicContact CZ-CE 4.34Å; F335-M483 HydrophobicContact CZ-SD 4.35Å; L459-M483 HydrophobicContact CB-CE 4.43Å; L459-M483 HydrophobicContact CD1-CE 3.37Å; I461-M483 HydrophobicContact CD1-CE 3.89Å; I461-M483 HydrophobicContact CD1-SD 3.34Å; I461-M483 WeakPolarHBondContact CD1-SD 3.47Å; L479-M483 HydrophobicContact CG-SD 4.19Å; L479-M483 VanDerWaalsContact O-CG 3.3Å; L479-M483 WeakPolarHBondContact O-CG 3.43Å; L479-M483 PolarHBondContact O-N 3.31Å; I480-M483 WeakPolarHBondContact O-CB 3.27Å; I480-M483 PolarHBondContact O-N 2.93Å; I480-M483 VanDerWaalsContact O-N 3.12Å; I481-M483 VanDerWaalsContact C-N 3.31Å; I481-M483 PolarHBondContact O-N 3.15Å; M483-L486 PolarHBondContact O-N 2.9Å; M483-N487 WeakPolarHBondContact O-CB 3.48Å; M483-N487 PolarHBondContact O-N 3.46Å
484A76.6Confident75.2Confident17 Ų1748.9 Ų48.914%0.1425%0.247CC..Hα-helixtrans-63.3-45.8175.600000112.4I480 I481 L486 N487 K488 L519I480-A484 PolarHBondContact O-N 3.12Å; I481-A484 PolarHBondContact O-N 3.42Å; A484-L486 VanDerWaalsContact C-N 3.32Å; A484-L486 PolarHBondContact O-N 3.36Å; A484-N487 PolarHBondContact O-N 3.28Å; A484-K488 WeakPolarHBondContact O-CB 3.25Å; A484-K488 PolarHBondContact O-N 2.92Å; A484-L519 VanDerWaalsContact CA-CD1 3.43Å; A484-L519 HydrophobicContact CB-CD1 3.92Å
485E78.3Confident73.4Confident92 Ų9254.8 Ų54.843%0.4327%0.272SS..Hα-helixtrans-57.8-44.2174-71.4173-162.200111.8I481 K482 F489I481-E485 WeakPolarHBondContact O-CG 3.34Å; I481-E485 PolarHBondContact O-N 3.13Å; K482-E485 IonicContact NZ-OE1 2.74Å; K482-E485 PolarHBondContact NZ-OE1 3.14Å; K482-E485 IonicContact NZ-OE2 3.98Å; K482-E485 PolarHBondContact NZ-OE2 3.11Å; E485-F489 WeakPolarHBondContact O-CB 3.28Å; E485-F489 PolarHBondContact O-N 3.28Å
486L79Confident71.1Confident35 Ų3563.7 Ų63.718%0.18331%0.314CS..Hα-helixtrans-66.6-42.2179.5-74.3170.5000112.1R334 F335 A338 K482 M483 A484 F489 T490R334-L486 HydrophobicContact CB-CD2 3.79Å; F335-L486 HydrophobicContact CB-CD1 4.1Å; F335-L486 HydrophobicContact CD2-CD1 4.23Å; A338-L486 HydrophobicContact CB-CD1 4.49Å; K482-L486 WeakPolarHBondContact O-CB 3.33Å; K482-L486 WeakPolarHBondContact O-CG 3.5Å; K482-L486 PolarHBondContact O-N 3.28Å; M483-L486 PolarHBondContact O-N 2.9Å; A484-L486 VanDerWaalsContact C-N 3.32Å; A484-L486 PolarHBondContact O-N 3.36Å; L486-F489 PolarHBondContact O-N 3.39Å; L486-T490 PolarHBondContact O-N 2.98Å; L486-T490 PolarHBondContact O-OG1 3.01Å
487N76.6Confident68.7Low8 Ų867.7 Ų67.74%0.04335%0.348CS..Hα-helixtrans-68.9-38.5-178.5-151.535.4000111.6G323 S325 M483 A484 T490 A491 L519G323-N487 PolarHBondContact O-ND2 3.02Å; S325-N487 WeakPolarHBondContact CB-OD1 3.46Å; S325-N487 PolarHBondContact N-OD1 3.3Å; M483-N487 WeakPolarHBondContact O-CB 3.48Å; M483-N487 PolarHBondContact O-N 3.46Å; A484-N487 PolarHBondContact O-N 3.28Å; N487-T490 VanDerWaalsContact C-OG1 3.32Å; N487-T490 VanDerWaalsContact CA-OG1 3.28Å; N487-T490 WeakPolarHBondContact CA-OG1 3.28Å; N487-T490 PolarHBondContact O-N 3.09Å; N487-T490 PolarHBondContact O-OG1 3.08Å; N487-A491 PolarHBondContact O-N 3.09Å; N487-L519 HydrophobicContact CB-CD1 3.73Å; N487-L519 HydrophobicContact CB-CG 4.43Å; N487-L519 WeakPolarHBondContact ND2-CG 3.48Å
488K73.3Confident66.4Low100 Ų10069.4 Ų69.444%0.43538%0.375SS..Hα-helixtrans-61-48.3171.8179.8171176.5168.70111M287 A484 T490 A491 E492M287-K488 HydrophobicContact CE-CD 4.23Å; A484-K488 WeakPolarHBondContact O-CB 3.25Å; A484-K488 PolarHBondContact O-N 2.92Å; K488-T490 VanDerWaalsContact C-N 3.27Å; K488-T490 PolarHBondContact O-N 2.98Å; K488-A491 PolarHBondContact O-N 2.92Å; K488-A491 VanDerWaalsContact O-N 3.11Å; K488-E492 WeakPolarHBondContact CE-OE1 3.38Å; K488-E492 HydrophobicContact CG-CG 4.31Å; K488-E492 IonicContact NZ-OE1 3.71Å; K488-E492 WeakPolarHBondContact O-CG 3.44Å; K488-E492 PolarHBondContact O-N 3.33Å
489F70.8Confident64.2Low56 Ų5673.2 Ų73.225%0.24640%0.4CS..Hα-helixtrans-57.8-39.6176.7-177.1-81.2000112.3E485 L486 H493E485-F489 WeakPolarHBondContact O-CB 3.28Å; E485-F489 PolarHBondContact O-N 3.28Å; L486-F489 PolarHBondContact O-N 3.39Å; F489-H493 AromaticContact CE1-CD2 3.4Å; F489-H493 VanDerWaalsContact CE1-CD2 3.4Å; F489-H493 WeakPolarHBondContact CE1-CD2 3.45Å; F489-H493 AromaticContact CE2-CD2 3.54Å; F489-H493 AromaticContact CE2-NE2 3.4Å; F489-H493 WeakPolarHBondContact CE2-NE2 3.41Å; F489-H493 AromaticContact CZ-CD2 3.14Å; F489-H493 WeakPolarHBondContact CZ-CD2 3.33Å; F489-H493 AromaticContact CZ-NE2 3.47Å; F489-H493 WeakPolarHBondContact CZ-NE2 2.99Å; F489-H493 PolarHBondContact O-N 2.74Å
490T68.2Low61.5Low15 Ų1581.3 Ų81.39%0.09244%0.443CS..Hα-helixtrans-70.2-34.717745.20000113.1A331 L486 N487 K488 Q494A331-T490 HydrophobicContact CB-CG2 3.71Å; L486-T490 PolarHBondContact O-N 2.98Å; L486-T490 PolarHBondContact O-OG1 3.01Å; N487-T490 VanDerWaalsContact C-OG1 3.32Å; N487-T490 VanDerWaalsContact CA-OG1 3.28Å; N487-T490 WeakPolarHBondContact CA-OG1 3.28Å; N487-T490 PolarHBondContact O-N 3.09Å; N487-T490 PolarHBondContact O-OG1 3.08Å; K488-T490 VanDerWaalsContact C-N 3.27Å; K488-T490 PolarHBondContact O-N 2.98Å; T490-Q494 WeakPolarHBondContact O-CG 3.34Å; T490-Q494 PolarHBondContact O-N 3.38Å
491A65.1Low59Low35 Ų3583.5 Ų83.529%0.28947%0.473SS..Hα-helixtrans-70.4-42.1177.400000111.7N487 K488 H493N487-A491 PolarHBondContact O-N 3.09Å; K488-A491 PolarHBondContact O-N 2.92Å; K488-A491 VanDerWaalsContact O-N 3.11Å; A491-H493 PolarHBondContact O-N 2.82Å
492E61.6Low56.7Low107 Ų10788.2 Ų88.250%0.549%0.493SS..Hα-helixtrans-70-14.9-179.9-70.3176.6164.500114.1K488K488-E492 WeakPolarHBondContact CE-OE1 3.38Å; K488-E492 HydrophobicContact CG-CG 4.31Å; K488-E492 IonicContact NZ-OE1 3.71Å; K488-E492 WeakPolarHBondContact O-CG 3.44Å; K488-E492 PolarHBondContact O-N 3.33Å
493H60.6Low54.3Low93 Ų9394 Ų9443%0.43152%0.521SS..THydrogen-bonded Turntrans-120.515.1-177.7-65.5-12.9000113.1F489 A491 E495F489-H493 AromaticContact CE1-CD2 3.4Å; F489-H493 VanDerWaalsContact CE1-CD2 3.4Å; F489-H493 WeakPolarHBondContact CE1-CD2 3.45Å; F489-H493 AromaticContact CE2-CD2 3.54Å; F489-H493 AromaticContact CE2-NE2 3.4Å; F489-H493 WeakPolarHBondContact CE2-NE2 3.41Å; F489-H493 AromaticContact CZ-CD2 3.14Å; F489-H493 WeakPolarHBondContact CZ-CD2 3.33Å; F489-H493 AromaticContact CZ-NE2 3.47Å; F489-H493 WeakPolarHBondContact CZ-NE2 2.99Å; F489-H493 PolarHBondContact O-N 2.74Å; A491-H493 PolarHBondContact O-N 2.82Å; H493-E495 VanDerWaalsContact C-N 3.27Å
494Q49.7Very low51.7Low115 Ų115101.9 Ų101.954%0.53756%0.563SS.*THydrogen-bonded Turntrans-76.1-10.1173.8-103.9180-28.900113.7P328 T490P328-Q494 HydrophobicContact CG-CG 4.24Å; T490-Q494 WeakPolarHBondContact O-CG 3.34Å; T490-Q494 PolarHBondContact O-N 3.38Å
495E40.6Very low49.4Very low194 Ų194104.2 Ų104.291%0.90759%0.59SS**THydrogen-bonded Turntrans-80.5-12177.6-71-171.9159.900114.6H493H493-E495 VanDerWaalsContact C-N 3.27Å
496E36.9Very low47Very low186 Ų186104.7 Ų104.787%0.86961%0.609SS**SBendtrans-104.9-0-177.7-73.2-171.8168.300115
497A35.9Very low44.5Very low93 Ų93115.1 Ų115.177%0.76965%0.646SS**  trans-109.271.8-177.200000111.9
498G29.7Very low42Very low75 Ų75123.4 Ų123.477%0.77369%0.685SS**  trans-147.667.9177.100000113
499S35.2Very low39.9Very low106 Ų106124.6 Ų124.674%0.74170%0.702SS**  trans-161.595.3152.4175.80000107.7
500D30.6Very low37.8Very low170 Ų170126.9 Ų126.991%0.90973%0.731SS**SBendtrans175.6104.1141.6-85.7-15.3000108.2
501G29.7Very low35.7Very low75 Ų75130.5 Ų130.577%0.77376%0.763SS**SBendtrans136.288.7164.300000116.2
502E29.4Very low34Very low198 Ų198137 Ų13793%0.92579%0.793SS**  trans47.3104.1145.5-64.1177.4168.700119.4
503E30.5Very low32.2Very low202 Ų202135.6 Ų135.694%0.94480%0.8SS**  trans-69.5122.8161.2-73.3-175.8146.300110.7
504D27.4Very low30.6Very low167 Ų167140.7 Ų140.789%0.89382%0.824SS**  trans-140.2129.2145.6-158.76.3000110
505G27.7Very low29.6Very low67 Ų67141.7 Ų141.769%0.69184%0.837SS**SBendtrans89.696.5156.500000120.5
506A27.7Very low29.1Very low102 Ų102135.9 Ų135.984%0.84382%0.819SS**  trans69104.7141.300000120.4Q508A506-Q508 PolarHBondContact O-N 3Å
507R27.1Very low29.3Very low254 Ų254131.1 Ų131.196%0.95881%0.805SS**  trans-66.7122.8160.6-77177.8175.7171.5-0.6110.9
508Q25.6Very low29.9Very low182 Ų182130.9 Ų130.985%0.8579%0.789SS**  trans-112.9150.8155.1-82.8-177.8-7.300109.8A506A506-Q508 PolarHBondContact O-N 3Å
509P27.8Very low30.4Very low125 Ų125128.1 Ų128.181%0.81276%0.756SS**PPolyproline II helixtrans-72.6141.8-165.257.7000112.2A511P509-A511 PolarHBondContact O-N 3.29Å
510A26.5Very low31.2Very low103 Ų103125.4 Ų125.485%0.85173%0.733SS**PPolyproline II helixtrans-59117.5176.400000111
511A24.6Very low32.3Very low91 Ų91117.6 Ų117.675%0.75269%0.691SS**PPolyproline II helixtrans-84.9128.1157.600000107.9P509 A513P509-A511 PolarHBondContact O-N 3.29Å; A511-A513 PolarHBondContact O-N 3.44Å; A511-A513 VanDerWaalsContact O-N 3.1Å
512D28.9Very low33.3Very low173 Ų173115.4 Ų115.493%0.92566%0.661SS**  trans-50111173.1-66.9-50.4000111
513A24.5Very low34.3Very low77 Ų77107.6 Ų107.664%0.63662%0.624SS**  trans-140101.3165.400000108.2A511 T515A511-A513 PolarHBondContact O-N 3.44Å; A511-A513 VanDerWaalsContact O-N 3.1Å; A513-T515 VanDerWaalsContact C-N 3.33Å; A513-T515 PolarHBondContact O-N 3.49Å
514E27.6Very low35.1Very low200 Ų20099.3 Ų99.394%0.93559%0.586SS**  trans-51.796.6163-73.4179.4144.500109.1S516E514-S516 VanDerWaalsContact C-N 3.28Å; E514-S516 PolarHBondContact O-N 3.48Å
515T27.1Very low35.5Very low135 Ų13596.2 Ų96.283%0.82857%0.573SS**  trans-82.679.1173.732.40000108.3A513 S517A513-T515 VanDerWaalsContact C-N 3.33Å; A513-T515 PolarHBondContact O-N 3.49Å; T515-S517 PolarHBondContact O-N 2.93Å
516S31.7Very low35.7Very low73 Ų73100.7 Ų100.751%0.5157%0.573SS.*  trans-63.9120.4170.180.80000109E514 Q518E514-S516 VanDerWaalsContact C-N 3.28Å; E514-S516 PolarHBondContact O-N 3.48Å; S516-Q518 PolarHBondContact O-N 3.36Å; S516-Q518 VanDerWaalsContact OG-CG 3.26Å; S516-Q518 WeakPolarHBondContact OG-CG 3.43Å; S516-Q518 PolarHBondContact OG-NE2 2.88Å
517S40.8Very low36Very low85 Ų85100.8 Ų100.859%0.59457%0.565SS**  trans-7365.7176.138.30000111.3T515T515-S517 PolarHBondContact O-N 2.93Å
518Q47.7Very low35.9Very low89 Ų8997.7 Ų97.742%0.41656%0.562SS.*  trans-84.8130.9-178.2-75.8175.81300112.1S516S516-Q518 PolarHBondContact O-N 3.36Å; S516-Q518 VanDerWaalsContact OG-CG 3.26Å; S516-Q518 WeakPolarHBondContact OG-CG 3.43Å; S516-Q518 PolarHBondContact OG-NE2 2.88Å
519L39.7Very low35.9Very low17 Ų1797.2 Ų97.29%0.08956%0.564CS.*  trans-90.2123.4167.9-88.4155000109.7V321 M324 A484 N487V321-L519 HydrophobicContact CG1-CD2 3.53Å; M324-L519 HydrophobicContact CB-CD2 4.42Å; M324-L519 HydrophobicContact CG-CD2 4.5Å; A484-L519 VanDerWaalsContact CA-CD1 3.43Å; A484-L519 HydrophobicContact CB-CD1 3.92Å; N487-L519 HydrophobicContact CB-CD1 3.73Å; N487-L519 HydrophobicContact CB-CG 4.43Å; N487-L519 WeakPolarHBondContact ND2-CG 3.48Å
520I52.6Low36Very low49 Ų4996.9 Ų96.925%0.25156%0.559SS.*EExtended strand (participates in β ladder)trans-106.7123.9177.4-58.4172.7000108L292 R322L292-I520 HydrophobicContact CD1-CG2 3.86Å; L292-I520 HydrophobicContact CG-CG2 4.44Å; R322-I520 HydrophobicContact CB-CB 4.41Å; R322-I520 PolarHBondContact N-O 3.42Å; R322-I520 PolarHBondContact O-N 3.02Å; R322-I520 VanDerWaalsContact O-N 3.12Å
521V53.1Low35.8Very low6 Ų6101.9 Ų101.94%0.03656%0.562CS.*EExtended strand (participates in β ladder)trans-110.3121.9175.6-175.90000108.2V289 R290 L292 C319 L320 V321 I480V289-V521 HydrophobicContact CG1-CG2 3.95Å; R290-V521 PolarHBondContact O-N 3.03Å; L292-V521 PolarHBondContact N-O 3.22Å; C319-V521 HydrophobicContact CB-CG1 4.17Å; L320-V521 WeakPolarHBondContact O-CA 3.49Å; V321-V521 HydrophobicContact CG2-CG2 4.38Å; I480-V521 HydrophobicContact CD1-CG1 4.17Å; I480-V521 HydrophobicContact CG2-CG2 4.14Å
522Q52.2Low35.9Very low28 Ų28105.9 Ų105.913%0.13157%0.565CS.*EExtended strand (participates in β ladder)trans-113.8128.9176.2-173.7167.67.200109.7L320L320-Q522 HydrophobicContact CB-CB 4.44Å; L320-Q522 PolarHBondContact N-O 2.91Å; L320-Q522 PolarHBondContact O-N 3.49Å
523Q49.3Very low36.2Very low34 Ų34102.3 Ų102.316%0.15955%0.551CS.*EExtended strand (participates in β ladder)trans-97.2139.3174.6-171.9179.28.700109.5V294 V549V294-Q523 WeakPolarHBondContact CG2-O 3.17Å; Q523-V549 VanDerWaalsContact NE2-CG2 3.3Å
524E47.2Very low36.2Very low29 Ų29107.2 Ų107.214%0.13657%0.566CS.*  trans-108.8104.4-177-66.3-74.1-172.800110.7T299 L301T299-E524 VanDerWaalsContact CB-CD 3.41Å; T299-E524 WeakPolarHBondContact CB-OE1 3.43Å; T299-E524 WeakPolarHBondContact CB-OE2 3.32Å; T299-E524 WeakPolarHBondContact CG2-OE1 3.25Å; T299-E524 PolarHBondContact OG1-OE2 3.32Å; L301-E524 WeakPolarHBondContact O-CG 3.48Å
525T35.4Very low36Very low102 Ų102100.5 Ų100.563%0.62655%0.55SS**  trans-167.6135.2161.939.30000114
526K32.8Very low35.8Very low160 Ų160106.9 Ų106.970%0.69656%0.559SS**  trans177.3168.8152.2-111.7-167.6175.4-178.40112.2
527P33.3Very low35.5Very low105 Ų105111.3 Ų111.368%0.68257%0.572SS**  -131137.6-58.431.6-12.2000112.8
528E25.5Very low34.8Very low189 Ų189113.9 Ų113.988%0.88358%0.579SS**SBendtrans-160.7130.5148.2-113.9168.2-153.700110
529L26.8Very low33.7Very low172 Ų172116.3 Ų116.390%0.90160%0.599SS**  trans84.682.3176.5-58.6153.6000117.5
530V28.4Very low32.9Very low117 Ų117122.8 Ų122.871%0.70963%0.634SS**  trans-136.9139.5160.7179.60000110.3
531K22.9Very low31.6Very low209 Ų209124.1 Ų124.191%0.90966%0.659SS**  trans-133.1106.9154.5-87.2-170.1173.9-177.10110.3
532E27.5Very low30.3Very low174 Ų174127.6 Ų127.681%0.81370%0.696SS**  trans29168.1138.6-67.7-162161.900124.5
533P34.6Very low29Very low98 Ų98135.8 Ų135.864%0.63673%0.727SS**  -137.2-176.8-63.639.8-19.4000113
534L24Very low27.7Very low181 Ų181141.6 Ų141.695%0.94877%0.765SS**  trans133.8126.2164.3-74.2159.5000108.5
535G23.7Very low26.7Very low58 Ų58147.8 Ų147.860%0.59879%0.794SS**  cis133.8122.818.100000106
536W23.6Very low26.4Very low270 Ų270146.6 Ų146.6100%1.02379%0.787SS**  trans167.5127.8145.3-82.4110.2000111.1
537Q24.6Very low26.3Very low166 Ų166141 Ų14178%0.77676%0.764SS**  trans-98.3155.7179.6-99.5170-47.200111.1
538D25.3Very low25.9Very low138 Ų138145.3 Ų145.374%0.73877%0.772SS**  trans66.2107.5148.8-58-20000121.2
539V24.5Very low26.1Very low140 Ų140139.3 Ų139.385%0.84875%0.748SS**SBend-155.2130.4119.6-170.50000109.7
540L23.4Very low26.2Very low154 Ų154138.4 Ų138.481%0.80674%0.739SS**  trans111.295.8168.3-60.9174.5000114.7
541G24.6Very low26.1Very low76 Ų76138.9 Ų138.978%0.78474%0.742SS**  trans-67.8150.4-178.500000114.8
542G27.3Very low26.3Very low80 Ų80139.1 Ų139.183%0.82574%0.739SS**SBendtrans101.95.3152.700000118.1
543Y24.2Very low26.2Very low199 Ų199139.8 Ų139.878%0.7874%0.742SS**  trans-113118.5169.7-69.4-84.9000109.1H545Y543-H545 PolarHBondContact O-N 3.27Å; Y543-H545 PolarHBondContact O-ND1 2.9Å
544T23Very low25.9Very low156 Ų156137.8 Ų137.896%0.95774%0.74SS**  trans-65.4104.2171.2-20000108.1
545H26.3Very low25.9Very low159 Ų159144.2 Ų144.274%0.73675%0.752SS**  trans-69.6148.9-173.6-79.133.5000112.7Y543 L547Y543-H545 PolarHBondContact O-N 3.27Å; Y543-H545 PolarHBondContact O-ND1 2.9Å; H545-L547 PolarHBondContact O-N 2.98Å
546V28.3Very low26.1Very low78 Ų78148.6 Ų148.647%0.47376%0.759SS.*  trans-63.4122.1168.1170.80000110.7D477D477-V546 WeakPolarHBondContact OD1-CG1 3.49Å; D477-V546 WeakPolarHBondContact OD1-CG2 3.39Å
547L29.7Very low26.2Very low41 Ų41142.2 Ų142.222%0.21575%0.745CS.*  trans22.7112141.9-64162.5000118.1V291 H293 H545 V549V291-L547 HydrophobicContact CG1-CD1 3.71Å; V291-L547 HydrophobicContact CG1-CD2 3.35Å; V291-L547 HydrophobicContact CG1-CG 3.84Å; H293-L547 WeakPolarHBondContact CE1-CD2 3.31Å; H293-L547 WeakPolarHBondContact NE2-CD2 3.47Å; H545-L547 PolarHBondContact O-N 2.98Å; L547-V549 PolarHBondContact O-N 3.46Å
548K26.1Very low26.3Very low196 Ų196140.8 Ų140.885%0.85274%0.744SS**  trans-55.7125.8169.5-122.3179-178.9177.10111.6
549V29.4Very low26.3Very low63 Ų63141 Ų14138%0.38274%0.744SS.*  trans-145.3118.1155.4-175.80000109K473 Q523 L547K473-V549 PolarHBondContact NZ-O 3.18Å; Q523-V549 VanDerWaalsContact NE2-CG2 3.3Å; L547-V549 PolarHBondContact O-N 3.46Å
550Q28.7Very low26.4Very low153 Ų153141.1 Ų141.172%0.71574%0.738SS**  trans-65.7147.7-174.6-88.3173.4-41.700113.9
551T27.5Very low26.7Very low127 Ų127140.2 Ų140.278%0.77973%0.733SS**  trans-84.1149.5173.936.50000112.2
552Y26.1Very low26.8Very low214 Ų214144.8 Ų144.884%0.83973%0.729SS**  trans-106.9112.2158.9-164-94.2000107.2
553Q26.2Very low26.8Very low188 Ų188149.8 Ų149.888%0.87972%0.722SS**  trans-128122.4161.8-83.1-169.9-20.500106.6
554G27.8Very low27Very low57 Ų57145.7 Ų145.759%0.58872%0.717SS**  trans-76.5157.2-158.800000116.7
555R24.6Very low27.3Very low316 Ų316144.7 Ų144.7100%1.19270%0.695SS**  -129.9097.1-89.3-173.1-176.3179.92109.7

Retrieved 555 of 555 residues in 102.8 ms (Link to these results)

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