A0A087YMA3_POEFO Loading...

Leucine rich repeat containing 73

AlphaFold DB , UniProt , Accession A0A087YMA3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 294 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
1M38.7Very low74.7Confident241 Ų24193.5 Ų93.5100%1.18755%0.547SS*.  0112.40-76.2-175.1-86.300106.7A3M1-A3 PolarHBondContact O-N 3.37Å
2L41.6Very low75.5Confident177 Ų17793.6 Ų93.693%0.92755%0.552SS**  trans-57.5126.7-178.2-77.5150.4000108.7A4L2-A4 PolarHBondContact O-N 3.08Å; L2-A4 VanDerWaalsContact O-N 3.13Å
3A53Low76.5Confident62 Ų6287.6 Ų87.651%0.51252%0.516SS..  trans-57.3117.1172.900000108M1 S5 R31M1-A3 PolarHBondContact O-N 3.37Å; A3-S5 PolarHBondContact O-N 3.42Å; A3-S5 VanDerWaalsContact O-N 3.08Å; A3-R31 HydrophobicContact CB-CB 4.26Å; A3-R31 HydrophobicContact CB-CG 4.35Å
4A83.6Confident77.3Confident41 Ų4185.2 Ų85.234%0.33951%0.506SS..EExtended strand (participates in β ladder)trans-71.5114.3-179.600000108.3L2 G29 V30 R31L2-A4 PolarHBondContact O-N 3.08Å; L2-A4 VanDerWaalsContact O-N 3.13Å; A4-G29 WeakPolarHBondContact CB-O 3.44Å; A4-V30 WeakPolarHBondContact O-CA 3.33Å; A4-R31 PolarHBondContact O-N 3.35Å
5S89.1Confident78.1Confident70 Ų7084.2 Ų84.249%0.4951%0.511SS..EExtended strand (participates in β ladder)trans-101.3131.7171.454.80000108.6A3 L32A3-S5 PolarHBondContact O-N 3.42Å; A3-S5 VanDerWaalsContact O-N 3.08Å; S5-L32 CarbonylContact C-O 3.57Å; S5-L32 WeakPolarHBondContact CA-O 3.47Å
6I89.3Confident78.8Confident19 Ų1983.6 Ų83.610%0.09752%0.518CS..EExtended strand (participates in β ladder)trans-108.9122.2169.3-58.4178.5000107V8 I21 R24 V30 L32 L33 S34I6-V8 HydrophobicContact CG2-CG2 4.21Å; I6-I21 HydrophobicContact CD1-CG1 4.17Å; I6-I21 HydrophobicContact CG2-CD1 4.49Å; I6-I21 HydrophobicContact CG2-CG1 4.19Å; I6-R24 HydrophobicContact CD1-CB 4.45Å; I6-V30 HydrophobicContact CD1-CG1 4.32Å; I6-V30 HydrophobicContact CD1-CG2 3.52Å; I6-V30 HydrophobicContact CG1-CG1 4.2Å; I6-V30 HydrophobicContact CG1-CG2 4.06Å; I6-L32 PolarHBondContact N-O 3.19Å; I6-L33 HydrophobicContact CB-CD1 3.9Å; I6-L33 HydrophobicContact CG2-CD1 3.98Å; I6-L33 CarbonylContact O-C 3.56Å; I6-L33 WeakPolarHBondContact O-CA 3.47Å; I6-S34 PolarHBondContact O-N 3.33Å
7Q89.4Confident79.5Confident138 Ų13883.4 Ų83.465%0.64551%0.509SS*.EExtended strand (participates in β ladder)trans-131.1116.1176.9-61.3-176.2800108.9L32 S34Q7-L32 HydrophobicContact CG-CD2 3.77Å; Q7-S34 WeakPolarHBondContact CA-O 3.45Å
8V87.1Confident80.2Confident29 Ų2978.8 Ų78.818%0.17648%0.481CS..EExtended strand (participates in β ladder)trans-126.9135174.8-170.80000107.2I6 L13 S34 V35 R36 C38I6-V8 HydrophobicContact CG2-CG2 4.21Å; V8-L13 HydrophobicContact CB-CD2 4.23Å; V8-L13 HydrophobicContact CG1-CD2 3.84Å; V8-L13 HydrophobicContact CG1-CG 4.4Å; V8-L13 HydrophobicContact CG2-CD2 4.16Å; V8-S34 PolarHBondContact N-O 3.44Å; V8-V35 CarbonylContact O-C 3.55Å; V8-V35 WeakPolarHBondContact O-CA 3.37Å; V8-R36 PolarHBondContact O-N 2.76Å; V8-R36 VanDerWaalsContact O-N 3.13Å; V8-C38 PolarHBondContact O-SG 2.81Å; V8-C38 VanDerWaalsContact O-SG 3.37Å
9S86.8Confident80.9Confident74 Ų7478.8 Ų78.852%0.51748%0.475SS..EExtended strand (participates in β ladder)trans-138.7136-179.5-163.60000113.8E11 R36S9-E11 PolarHBondContact O-N 3.27Å; S9-R36 CarbonylContact C-O 3.57Å; S9-R36 WeakPolarHBondContact CA-O 3.24Å; S9-R36 PolarHBondContact OG-O 3.44Å; S9-R36 VanDerWaalsContact OG-O 3.1Å
10G80.1Confident81.5Confident52 Ų5278.4 Ų78.454%0.53647%0.47SS..SBendtrans72.6-11.9169.200000116.4R36G10-R36 PolarHBondContact N-O 2.86Å
11E82.8Confident82Confident126 Ų12674.8 Ų74.859%0.58945%0.449SS*.SBendtrans-96.7152-176.8-65.9-168.4154.500112.9S9 L13 C38 R39S9-E11 PolarHBondContact O-N 3.27Å; E11-L13 PolarHBondContact O-N 3.24Å; E11-C38 VanDerWaalsContact O-CA 3.32Å; E11-C38 WeakPolarHBondContact O-CA 3.38Å; E11-C38 WeakPolarHBondContact O-CB 3.4Å; E11-R39 PolarHBondContact O-N 3.37Å
12P85.1Confident84.6Confident94 Ų9463.5 Ų63.561%0.6139%0.394SS*.BIsolated β-bridgetrans-68.2124167.629.2-32.1000109.5S14 R39P12-S14 PolarHBondContact O-N 2.97Å; P12-R39 HydrophobicContact CB-CB 4.35Å
13L87.4Confident87Confident16 Ų1657.3 Ų57.38%0.08436%0.361CS..PPolyproline II helixtrans-76.8123.6176.9-79.5161.4000109.7V8 E11 E17 V18 I21 V35 C38 R39 L40V8-L13 HydrophobicContact CB-CD2 4.23Å; V8-L13 HydrophobicContact CG1-CD2 3.84Å; V8-L13 HydrophobicContact CG1-CG 4.4Å; V8-L13 HydrophobicContact CG2-CD2 4.16Å; E11-L13 PolarHBondContact O-N 3.24Å; L13-E17 HydrophobicContact CD2-CB 3.94Å; L13-V18 HydrophobicContact CB-CG2 3.98Å; L13-I21 HydrophobicContact CD2-CD1 4.12Å; L13-V35 HydrophobicContact CD1-CB 4.08Å; L13-V35 HydrophobicContact CD1-CG1 3.79Å; L13-C38 HydrophobicContact CD1-CB 3.63Å; L13-C38 HydrophobicContact CG-CB 4.07Å; L13-R39 PolarHBondContact N-O 3.48Å; L13-L40 HydrophobicContact CB-CD2 3.89Å; L13-L40 HydrophobicContact CD1-CD1 4.08Å; L13-L40 HydrophobicContact CD1-CD2 3.63Å; L13-L40 HydrophobicContact CD1-CG 3.87Å; L13-L40 HydrophobicContact CG-CD2 4.41Å
14S88.7Confident88.9Confident54 Ų5459.3 Ų59.338%0.37836%0.356SS..PPolyproline II helixtrans-69.6157.6173.571.20000111.2P12 A16 E17 V18P12-S14 PolarHBondContact O-N 2.97Å; S14-A16 PolarHBondContact O-N 3.46Å; S14-E17 VanDerWaalsContact CB-OE2 3.25Å; S14-E17 WeakPolarHBondContact CB-OE2 3.44Å; S14-E17 PolarHBondContact N-OE2 3.42Å; S14-E17 PolarHBondContact O-N 3.01Å; S14-E17 VanDerWaalsContact O-N 3.16Å; S14-E17 VanDerWaalsContact OG-CD 3.29Å; S14-E17 VanDerWaalsContact OG-CG 3.3Å; S14-E17 WeakPolarHBondContact OG-CG 3.5Å; S14-E17 PolarHBondContact OG-N 3.36Å; S14-E17 PolarHBondContact OG-OE2 3.49Å; S14-V18 WeakPolarHBondContact O-CG2 3.46Å; S14-V18 PolarHBondContact O-N 2.7Å
15A88.8Confident89.3Confident70 Ų7057.4 Ų57.458%0.57934%0.339SS*.Hα-helixtrans-59.5-30.5177.400000112.9Q19A15-Q19 WeakPolarHBondContact O-CB 3.26Å; A15-Q19 PolarHBondContact O-N 3.18Å; A15-Q19 VanDerWaalsContact O-N 3.07Å
16A89.2Confident89.4Confident75 Ų7559.9 Ų59.962%0.6234%0.338SS*.Hα-helixtrans-70.3-42.7177.100000111.7S14 Q19 D20S14-A16 PolarHBondContact O-N 3.46Å; A16-Q19 PolarHBondContact O-N 3.15Å; A16-D20 PolarHBondContact O-N 3.47Å
17E91.4Very high89.5Confident79 Ų7966.2 Ų66.237%0.36937%0.367SS..Hα-helixtrans-66.4-42.2176.6-69.5162.2133.400111.6L13 S14 Q19 D20 I21L13-E17 HydrophobicContact CD2-CB 3.94Å; S14-E17 VanDerWaalsContact CB-OE2 3.25Å; S14-E17 WeakPolarHBondContact CB-OE2 3.44Å; S14-E17 PolarHBondContact N-OE2 3.42Å; S14-E17 PolarHBondContact O-N 3.01Å; S14-E17 VanDerWaalsContact O-N 3.16Å; S14-E17 VanDerWaalsContact OG-CD 3.29Å; S14-E17 VanDerWaalsContact OG-CG 3.3Å; S14-E17 WeakPolarHBondContact OG-CG 3.5Å; S14-E17 PolarHBondContact OG-N 3.36Å; S14-E17 PolarHBondContact OG-OE2 3.49Å; E17-Q19 VanDerWaalsContact C-N 3.26Å; E17-Q19 PolarHBondContact O-N 3Å; E17-D20 PolarHBondContact O-N 3.49Å; E17-I21 WeakPolarHBondContact O-CB 3.42Å; E17-I21 VanDerWaalsContact O-CG1 3.23Å; E17-I21 WeakPolarHBondContact O-CG1 3.43Å; E17-I21 PolarHBondContact O-N 3.39Å
18V92.6Very high89.4Confident1 Ų161.6 Ų61.61%0.00635%0.347CS..Hα-helixtrans-58.4-42.6173.7173.10000110.5L13 S14 I21 C22 L40 D44 V48L13-V18 HydrophobicContact CB-CG2 3.98Å; S14-V18 WeakPolarHBondContact O-CG2 3.46Å; S14-V18 PolarHBondContact O-N 2.7Å; V18-I21 PolarHBondContact O-N 3.44Å; V18-C22 WeakPolarHBondContact O-CB 3.29Å; V18-C22 PolarHBondContact O-N 3.37Å; V18-C22 PolarHBondContact O-SG 3.5Å; V18-L40 HydrophobicContact CG2-CD2 3.67Å; V18-D44 HydrophobicContact CG1-CB 3.9Å; V18-D44 HydrophobicContact CG2-CB 4.08Å; V18-V48 HydrophobicContact CG1-CG2 4.19Å
19Q92.5Very high89.4Confident80 Ų8061.9 Ų61.937%0.37436%0.356SS..Hα-helixtrans-65.1-47.1179.1-174.86139.500111.5A15 A16 E17 I21 C22 D23A15-Q19 WeakPolarHBondContact O-CB 3.26Å; A15-Q19 PolarHBondContact O-N 3.18Å; A15-Q19 VanDerWaalsContact O-N 3.07Å; A16-Q19 PolarHBondContact O-N 3.15Å; E17-Q19 VanDerWaalsContact C-N 3.26Å; E17-Q19 PolarHBondContact O-N 3Å; Q19-I21 PolarHBondContact O-N 2.93Å; Q19-C22 PolarHBondContact O-N 2.83Å; Q19-C22 VanDerWaalsContact O-N 3.14Å; Q19-D23 PolarHBondContact NE2-OD1 3.16Å; Q19-D23 PolarHBondContact NE2-OD2 3Å; Q19-D23 VanDerWaalsContact O-CG 3.3Å; Q19-D23 PolarHBondContact O-N 3.39Å
20D92.6Very high89.7Confident69 Ų6958.4 Ų58.437%0.36933%0.331SS..Hα-helixtrans-59.6-44.3175.8179.863.9000111.7A16 E17 C22 D23 R24A16-D20 PolarHBondContact O-N 3.47Å; E17-D20 PolarHBondContact O-N 3.49Å; D20-C22 VanDerWaalsContact C-N 3.33Å; D20-C22 PolarHBondContact O-N 2.96Å; D20-D23 PolarHBondContact O-N 3.26Å; D20-R24 VanDerWaalsContact CG-NE 3.34Å; D20-R24 WeakPolarHBondContact O-CB 3.4Å; D20-R24 VanDerWaalsContact O-CG 3.29Å; D20-R24 WeakPolarHBondContact O-CG 3.42Å; D20-R24 PolarHBondContact O-N 3.11Å; D20-R24 IonicContact OD1-CZ 3.39Å; D20-R24 IonicContact OD1-NE 3.19Å; D20-R24 PolarHBondContact OD1-NE 3.02Å; D20-R24 IonicContact OD1-NH2 3.36Å; D20-R24 PolarHBondContact OD1-NH2 3.47Å; D20-R24 IonicContact OD2-CZ 3.6Å; D20-R24 IonicContact OD2-NE 3.15Å; D20-R24 PolarHBondContact OD2-NE 3.43Å; D20-R24 IonicContact OD2-NH2 2.78Å; D20-R24 PolarHBondContact OD2-NH2 2.92Å; D20-R24 VanDerWaalsContact OD2-NH2 3.15Å
21I93Very high90.4Very high4 Ų462.5 Ų62.52%0.02133%0.331CS..Hα-helixtrans-57.1-48.2173.5-70165.5000110.4I6 L13 E17 V18 Q19 D23 R24 L25 L33 V35 V48I6-I21 HydrophobicContact CD1-CG1 4.17Å; I6-I21 HydrophobicContact CG2-CD1 4.49Å; I6-I21 HydrophobicContact CG2-CG1 4.19Å; L13-I21 HydrophobicContact CD2-CD1 4.12Å; E17-I21 WeakPolarHBondContact O-CB 3.42Å; E17-I21 VanDerWaalsContact O-CG1 3.23Å; E17-I21 WeakPolarHBondContact O-CG1 3.43Å; E17-I21 PolarHBondContact O-N 3.39Å; V18-I21 PolarHBondContact O-N 3.44Å; Q19-I21 PolarHBondContact O-N 2.93Å; I21-D23 PolarHBondContact O-N 3.13Å; I21-R24 PolarHBondContact O-N 3.4Å; I21-L25 HydrophobicContact CG2-CD1 3.78Å; I21-L25 HydrophobicContact CG2-CG 4.35Å; I21-L25 WeakPolarHBondContact O-CB 3.5Å; I21-L25 WeakPolarHBondContact O-CG 3.31Å; I21-L25 PolarHBondContact O-N 3.2Å; I21-L33 HydrophobicContact CG2-CD1 3.93Å; I21-L33 HydrophobicContact CG2-CD2 3.98Å; I21-V35 HydrophobicContact CD1-CG1 4.25Å; I21-V48 HydrophobicContact CG2-CG1 4.49Å; I21-V48 HydrophobicContact CG2-CG2 4.42Å
22C92.9Very high91Very high4 Ų458.1 Ų58.13%0.02731%0.311CS..Hα-helixtrans-65.6-37.8-178.6-68.70000112.7V18 Q19 D20 R26 R47V18-C22 WeakPolarHBondContact O-CB 3.29Å; V18-C22 PolarHBondContact O-N 3.37Å; V18-C22 PolarHBondContact O-SG 3.5Å; Q19-C22 PolarHBondContact O-N 2.83Å; Q19-C22 VanDerWaalsContact O-N 3.14Å; D20-C22 VanDerWaalsContact C-N 3.33Å; D20-C22 PolarHBondContact O-N 2.96Å; C22-R26 WeakPolarHBondContact O-CG 3.39Å; C22-R26 PolarHBondContact O-N 3.09Å; C22-R26 PolarHBondContact O-NE 3.27Å; C22-R47 VanDerWaalsContact SG-C 3.56Å
23D92.5Very high91.4Very high46 Ų4653.6 Ų53.625%0.24628%0.282CS..Hα-helixtrans-67.6-48177.9-69.9-30.1000110.2Q19 D20 I21 L25 R26 E27Q19-D23 PolarHBondContact NE2-OD1 3.16Å; Q19-D23 PolarHBondContact NE2-OD2 3Å; Q19-D23 VanDerWaalsContact O-CG 3.3Å; Q19-D23 PolarHBondContact O-N 3.39Å; D20-D23 PolarHBondContact O-N 3.26Å; I21-D23 PolarHBondContact O-N 3.13Å; D23-L25 VanDerWaalsContact C-N 3.34Å; D23-L25 PolarHBondContact O-N 3Å; D23-R26 WeakPolarHBondContact O-CB 3.44Å; D23-R26 PolarHBondContact O-N 3.48Å; D23-R26 VanDerWaalsContact O-N 3.09Å; D23-R26 IonicContact OD1-CZ 3.27Å; D23-R26 IonicContact OD1-NH1 3.72Å; D23-R26 PolarHBondContact OD1-NH1 2.65Å; D23-R26 IonicContact OD1-NH2 2.97Å; D23-R26 PolarHBondContact OD1-NH2 3.01Å; D23-E27 WeakPolarHBondContact O-CG 3.31Å; D23-E27 PolarHBondContact O-N 3.43Å
24R92.7Very high91.8Very high105 Ų10553.5 Ų53.540%0.39628%0.282SS..Hα-helixtrans-66.2-32.6178.1-64.9178.3-175.9-1628.3113.8I6 D20 I21 R26 D28 G29 V30I6-R24 HydrophobicContact CD1-CB 4.45Å; D20-R24 VanDerWaalsContact CG-NE 3.34Å; D20-R24 WeakPolarHBondContact O-CB 3.4Å; D20-R24 VanDerWaalsContact O-CG 3.29Å; D20-R24 WeakPolarHBondContact O-CG 3.42Å; D20-R24 PolarHBondContact O-N 3.11Å; D20-R24 IonicContact OD1-CZ 3.39Å; D20-R24 IonicContact OD1-NE 3.19Å; D20-R24 PolarHBondContact OD1-NE 3.02Å; D20-R24 IonicContact OD1-NH2 3.36Å; D20-R24 PolarHBondContact OD1-NH2 3.47Å; D20-R24 IonicContact OD2-CZ 3.6Å; D20-R24 IonicContact OD2-NE 3.15Å; D20-R24 PolarHBondContact OD2-NE 3.43Å; D20-R24 IonicContact OD2-NH2 2.78Å; D20-R24 PolarHBondContact OD2-NH2 2.92Å; D20-R24 VanDerWaalsContact OD2-NH2 3.15Å; I21-R24 PolarHBondContact O-N 3.4Å; R24-R26 VanDerWaalsContact C-N 3.34Å; R24-D28 PolarHBondContact O-N 2.82Å; R24-G29 PolarHBondContact O-N 3.09Å; R24-V30 HydrophobicContact CB-CG2 3.51Å
25L92.2Very high92Very high0 Ų050.9 Ų50.90%026%0.264CS..Hα-helixtrans-64.5-39.9172.2-77.5168.5000111.6I21 D23 D28 V30 L33 V48 V52 S55 L58I21-L25 HydrophobicContact CG2-CD1 3.78Å; I21-L25 HydrophobicContact CG2-CG 4.35Å; I21-L25 WeakPolarHBondContact O-CB 3.5Å; I21-L25 WeakPolarHBondContact O-CG 3.31Å; I21-L25 PolarHBondContact O-N 3.2Å; D23-L25 VanDerWaalsContact C-N 3.34Å; D23-L25 PolarHBondContact O-N 3Å; L25-D28 PolarHBondContact O-N 3.09Å; L25-V30 HydrophobicContact CD2-CB 4.25Å; L25-L33 HydrophobicContact CD1-CD2 3.9Å; L25-L33 HydrophobicContact CD2-CD2 4.2Å; L25-L33 HydrophobicContact CG-CD2 4.45Å; L25-V48 HydrophobicContact CD1-CG1 4.35Å; L25-V52 HydrophobicContact CD1-CG2 4.15Å; L25-S55 WeakPolarHBondContact O-CB 3.38Å; L25-S55 PolarHBondContact O-OG 3.36Å; L25-L58 HydrophobicContact CD2-CD1 4.1Å; L25-L58 HydrophobicContact CD2-CD2 4.15Å
26R90.7Very high92.2Very high123 Ų12351.8 Ų51.846%0.46425%0.253SS..Hα-helixtrans-71.8-32.5178.2-80.1-176.7-96.2117.6-1.4113C22 D23 R24 D28 A54C22-R26 WeakPolarHBondContact O-CG 3.39Å; C22-R26 PolarHBondContact O-N 3.09Å; C22-R26 PolarHBondContact O-NE 3.27Å; D23-R26 WeakPolarHBondContact O-CB 3.44Å; D23-R26 PolarHBondContact O-N 3.48Å; D23-R26 VanDerWaalsContact O-N 3.09Å; D23-R26 IonicContact OD1-CZ 3.27Å; D23-R26 IonicContact OD1-NH1 3.72Å; D23-R26 PolarHBondContact OD1-NH1 2.65Å; D23-R26 IonicContact OD1-NH2 2.97Å; D23-R26 PolarHBondContact OD1-NH2 3.01Å; R24-R26 VanDerWaalsContact C-N 3.34Å; R26-D28 PolarHBondContact O-N 3.04Å; R26-A54 HydrophobicContact CG-CB 4.23Å
27E91.1Very high92.2Very high152 Ų15249.1 Ų49.171%0.7123%0.233SC*.THydrogen-bonded Turntrans-83.26.8178.2-68.7176.2-178.700113.4D23 G29D23-E27 WeakPolarHBondContact O-CG 3.31Å; D23-E27 PolarHBondContact O-N 3.43Å; E27-G29 PolarHBondContact O-N 3.07Å
28D88.4Confident92.1Very high41 Ų4145.7 Ų45.722%0.21922%0.217CC..THydrogen-bonded Turntrans54.131.9-174.7-63.9-44.5000112.6R24 L25 R26 R56 C57R24-D28 PolarHBondContact O-N 2.82Å; L25-D28 PolarHBondContact O-N 3.09Å; R26-D28 PolarHBondContact O-N 3.04Å; D28-R56 PolarHBondContact OD1-N 3.22Å; D28-R56 IonicContact OD2-CZ 3.6Å; D28-R56 IonicContact OD2-NE 2.76Å; D28-R56 PolarHBondContact OD2-NE 2.82Å; D28-R56 IonicContact OD2-NH2 3.02Å; D28-R56 PolarHBondContact OD2-NH2 3.23Å; D28-C57 WeakPolarHBondContact CA-SG 3.48Å; D28-C57 HydrophobicContact CB-CB 4.35Å; D28-C57 PolarHBondContact O-SG 2.93Å
29G86.9Confident91.9Very high35 Ų3555.1 Ų55.136%0.36125%0.253SS..  trans-82.6-19.4179.200000113.3A4 R24 E27A4-G29 WeakPolarHBondContact CB-O 3.44Å; R24-G29 PolarHBondContact O-N 3.09Å; E27-G29 PolarHBondContact O-N 3.07Å
30V91.8Very high91.7Very high0 Ų052 Ų520%024%0.239CC..EExtended strand (participates in β ladder)trans-113.5124.5-170.8-1720000111.7A4 I6 R24 L25 L32 L33 C57 L58A4-V30 WeakPolarHBondContact O-CA 3.33Å; I6-V30 HydrophobicContact CD1-CG1 4.32Å; I6-V30 HydrophobicContact CD1-CG2 3.52Å; I6-V30 HydrophobicContact CG1-CG1 4.2Å; I6-V30 HydrophobicContact CG1-CG2 4.06Å; R24-V30 HydrophobicContact CB-CG2 3.51Å; L25-V30 HydrophobicContact CD2-CB 4.25Å; V30-L32 WeakPolarHBondContact CG1-O 3.43Å; V30-L33 HydrophobicContact CG1-CB 4.22Å; V30-C57 PolarHBondContact O-SG 3.22Å; V30-L58 HydrophobicContact CG1-CD1 4.18Å
31R94.3Very high91.7Very high138 Ų13851.2 Ų51.252%0.52124%0.239SC..EExtended strand (participates in β ladder)trans-99.3-28.7172.4-73.2-167.8154.2-131.6-3.4113.5A3 A4 V59 Q60A3-R31 HydrophobicContact CB-CB 4.26Å; A3-R31 HydrophobicContact CB-CG 4.35Å; A4-R31 PolarHBondContact O-N 3.35Å; R31-V59 PolarHBondContact O-N 3.12Å; R31-Q60 PolarHBondContact O-N 2.92Å; R31-Q60 VanDerWaalsContact O-N 3.1Å
32L95.4Very high91.6Very high34 Ų3455.1 Ų55.118%0.17826%0.26CS..EExtended strand (participates in β ladder)trans-131121.9178.2-176.8161.3000108.4S5 I6 Q7 V30 Q60S5-L32 CarbonylContact C-O 3.57Å; S5-L32 WeakPolarHBondContact CA-O 3.47Å; I6-L32 PolarHBondContact N-O 3.19Å; Q7-L32 HydrophobicContact CG-CD2 3.77Å; V30-L32 WeakPolarHBondContact CG1-O 3.43Å; L32-Q60 WeakPolarHBondContact CA-O 3.48Å; L32-Q60 HydrophobicContact CB-CB 4.4Å; L32-Q60 HydrophobicContact CD1-CB 4.43Å; L32-Q60 HydrophobicContact CD1-CG 4.36Å; L32-Q60 HydrophobicContact CG-CB 4.06Å; L32-Q60 HydrophobicContact CG-CG 4.12Å
33L95.1Very high91.6Very high0 Ų063.6 Ų63.60%029%0.291CS..EExtended strand (participates in β ladder)trans-117.7121.9172.6177.761.4000109.5I6 I21 L25 V30 V35 V48 L58 Q60 L61 N62I6-L33 HydrophobicContact CB-CD1 3.9Å; I6-L33 HydrophobicContact CG2-CD1 3.98Å; I6-L33 CarbonylContact O-C 3.56Å; I6-L33 WeakPolarHBondContact O-CA 3.47Å; I21-L33 HydrophobicContact CG2-CD1 3.93Å; I21-L33 HydrophobicContact CG2-CD2 3.98Å; L25-L33 HydrophobicContact CD1-CD2 3.9Å; L25-L33 HydrophobicContact CD2-CD2 4.2Å; L25-L33 HydrophobicContact CG-CD2 4.45Å; V30-L33 HydrophobicContact CG1-CB 4.22Å; L33-V35 HydrophobicContact CD1-CG1 4.06Å; L33-V48 HydrophobicContact CD2-CG1 4.02Å; L33-L58 HydrophobicContact CB-CD1 3.88Å; L33-Q60 PolarHBondContact N-O 3.06Å; L33-L61 HydrophobicContact CB-CD1 4.09Å; L33-L61 HydrophobicContact CD2-CD1 3.9Å; L33-L61 HydrophobicContact CG-CD1 4.06Å; L33-L61 CarbonylContact O-C 3.46Å; L33-L61 WeakPolarHBondContact O-CA 3.39Å; L33-N62 PolarHBondContact O-N 3.43Å
34S95.2Very high91.7Very high13 Ų1362.6 Ų62.69%0.09129%0.286CS..EExtended strand (participates in β ladder)trans-122.9125.8168.4-177.20000109.7I6 Q7 V8 N62I6-S34 PolarHBondContact O-N 3.33Å; Q7-S34 WeakPolarHBondContact CA-O 3.45Å; V8-S34 PolarHBondContact N-O 3.44Å; S34-N62 WeakPolarHBondContact CA-O 3.42Å
35V93.3Very high91.8Very high0 Ų057.7 Ų57.70%027%0.267CS..EExtended strand (participates in β ladder)trans-126.541172.1-68.80000109.8V8 L13 I21 L33 G37 C38 L40 N62 L63 V67V8-V35 CarbonylContact O-C 3.55Å; V8-V35 WeakPolarHBondContact O-CA 3.37Å; L13-V35 HydrophobicContact CD1-CB 4.08Å; L13-V35 HydrophobicContact CD1-CG1 3.79Å; I21-V35 HydrophobicContact CD1-CG1 4.25Å; L33-V35 HydrophobicContact CD1-CG1 4.06Å; V35-G37 PolarHBondContact O-N 2.79Å; V35-C38 HydrophobicContact CB-CB 4.22Å; V35-C38 VanDerWaalsContact O-CB 3.26Å; V35-C38 WeakPolarHBondContact O-CB 3.32Å; V35-C38 PolarHBondContact O-N 2.93Å; V35-C38 VanDerWaalsContact O-N 3.16Å; V35-C38 PolarHBondContact O-SG 3.25Å; V35-C38 VanDerWaalsContact O-SG 3.35Å; V35-L40 HydrophobicContact CG2-CD1 4.38Å; V35-N62 PolarHBondContact N-O 3.44Å; V35-L63 HydrophobicContact CG2-CD2 3.39Å; V35-V67 HydrophobicContact CG2-CG1 4.43Å; V35-V67 VanDerWaalsContact O-CG2 3.22Å; V35-V67 WeakPolarHBondContact O-CG2 3.43Å
36R91.9Very high92Very high88 Ų8858.1 Ų58.133%0.33227%0.271SS..EExtended strand (participates in β ladder)trans-58.6124.9-171.9171.8175.7179.5120.82.3111.7V8 S9 G10 C38 N64 L65V8-R36 PolarHBondContact O-N 2.76Å; V8-R36 VanDerWaalsContact O-N 3.13Å; S9-R36 CarbonylContact C-O 3.57Å; S9-R36 WeakPolarHBondContact CA-O 3.24Å; S9-R36 PolarHBondContact OG-O 3.44Å; S9-R36 VanDerWaalsContact OG-O 3.1Å; G10-R36 PolarHBondContact N-O 2.86Å; R36-C38 PolarHBondContact O-N 3.21Å; R36-C38 VanDerWaalsContact O-N 3.1Å; R36-N64 CarbonylContact C-O 3.47Å; R36-N64 WeakPolarHBondContact CA-O 3.47Å; R36-N64 HydrophobicContact CG-CB 3.96Å; R36-N64 PolarHBondContact NH1-ND2 3.46Å; R36-L65 HydrophobicContact CG-CB 4.46Å; R36-L65 HydrophobicContact CG-CD1 3.88Å; R36-L65 HydrophobicContact CG-CG 4.04Å; R36-L65 VanDerWaalsContact NE-CD1 3.29Å
37G88.8Confident92.2Very high20 Ų2056.5 Ų56.521%0.20627%0.265CS..THydrogen-bonded Turntrans64.711.7177.500000114.2V35 N64 L65V35-G37 PolarHBondContact O-N 2.79Å; G37-N64 PolarHBondContact N-O 3.13Å; G37-L65 WeakPolarHBondContact CA-O 3.4Å
38C90.3Very high92.4Very high6 Ų649.4 Ų49.44%0.04123%0.232CC..  trans-76.5142.9-179.4-65.50000110.6V8 E11 L13 V35 R36 L40V8-C38 PolarHBondContact O-SG 2.81Å; V8-C38 VanDerWaalsContact O-SG 3.37Å; E11-C38 VanDerWaalsContact O-CA 3.32Å; E11-C38 WeakPolarHBondContact O-CA 3.38Å; E11-C38 WeakPolarHBondContact O-CB 3.4Å; L13-C38 HydrophobicContact CD1-CB 3.63Å; L13-C38 HydrophobicContact CG-CB 4.07Å; V35-C38 HydrophobicContact CB-CB 4.22Å; V35-C38 VanDerWaalsContact O-CB 3.26Å; V35-C38 WeakPolarHBondContact O-CB 3.32Å; V35-C38 PolarHBondContact O-N 2.93Å; V35-C38 VanDerWaalsContact O-N 3.16Å; V35-C38 PolarHBondContact O-SG 3.25Å; V35-C38 VanDerWaalsContact O-SG 3.35Å; R36-C38 PolarHBondContact O-N 3.21Å; R36-C38 VanDerWaalsContact O-N 3.1Å; C38-L40 PolarHBondContact O-N 3.12Å
39R87.4Confident92.8Very high200 Ų20047.8 Ų47.876%0.75522%0.224SC*.BIsolated β-bridgetrans-87.6110.1173.3-60-174-161.1-150.43.5109.2E11 P12 L13E11-R39 PolarHBondContact O-N 3.37Å; P12-R39 HydrophobicContact CB-CB 4.35Å; L13-R39 PolarHBondContact N-O 3.48Å
40L89.2Confident93.3Very high14 Ų1455.4 Ų55.47%0.07324%0.242CC..  trans-112.9145.2174.2-73.4157.8000109.4L13 V18 V35 C38 D44 F45 V67 R73L13-L40 HydrophobicContact CB-CD2 3.89Å; L13-L40 HydrophobicContact CD1-CD1 4.08Å; L13-L40 HydrophobicContact CD1-CD2 3.63Å; L13-L40 HydrophobicContact CD1-CG 3.87Å; L13-L40 HydrophobicContact CG-CD2 4.41Å; V18-L40 HydrophobicContact CG2-CD2 3.67Å; V35-L40 HydrophobicContact CG2-CD1 4.38Å; C38-L40 PolarHBondContact O-N 3.12Å; L40-D44 HydrophobicContact CD2-CB 4.09Å; L40-F45 HydrophobicContact CB-CB 4.38Å; L40-F45 HydrophobicContact CD1-CD2 4.27Å; L40-V67 HydrophobicContact CD1-CG1 4.11Å; L40-R73 PolarHBondContact O-NH2 2.97Å
41S91.7Very high93.4Very high53 Ų5355.4 Ų55.437%0.37124%0.242SC..  trans-71.6156.5163.179.60000109.7R43 D44 F45S41-R43 PolarHBondContact O-N 3.3Å; S41-D44 PolarHBondContact O-N 3.47Å; S41-D44 VanDerWaalsContact O-N 3.1Å; S41-D44 WeakPolarHBondContact OG-CB 3.4Å; S41-D44 PolarHBondContact OG-N 2.84Å; S41-D44 VanDerWaalsContact OG-N 3.09Å; S41-D44 PolarHBondContact OG-OD2 2.82Å; S41-F45 WeakPolarHBondContact O-CB 3.46Å; S41-F45 PolarHBondContact O-N 2.78Å
42D91.7Very high93.5Very high86 Ų8649 Ų4946%0.4622%0.218SC..Hα-helixtrans-60.5-32.7177.1-72.4-4.2000112.1G46 R73D42-G46 PolarHBondContact O-N 3.3Å; D42-R73 IonicContact OD1-CZ 3.99Å; D42-R73 VanDerWaalsContact OD1-CZ 3.23Å; D42-R73 IonicContact OD1-NE 3.18Å; D42-R73 PolarHBondContact OD1-NE 3.39Å; D42-R73 IonicContact OD1-NH2 3.48Å; D42-R73 PolarHBondContact OD1-NH2 3.23Å
43R93.3Very high93.6Very high181 Ų18148.7 Ų48.768%0.68322%0.221SC*.Hα-helixtrans-64.5-44.8174.8-175.4-177.2-178.1-173.91.4111.5S41 G46 R47S41-R43 PolarHBondContact O-N 3.3Å; R43-G46 PolarHBondContact O-N 3.24Å; R43-R47 WeakPolarHBondContact O-CG 3.35Å; R43-R47 PolarHBondContact O-N 3.06Å
44D93.8Very high93.6Very high26 Ų2651.1 Ų51.114%0.13924%0.241CC..Hα-helixtrans-73.3-38.3-179-66.2-41000111.5V18 L40 S41 G46 R47 V48V18-D44 HydrophobicContact CG1-CB 3.9Å; V18-D44 HydrophobicContact CG2-CB 4.08Å; L40-D44 HydrophobicContact CD2-CB 4.09Å; S41-D44 PolarHBondContact O-N 3.47Å; S41-D44 VanDerWaalsContact O-N 3.1Å; S41-D44 WeakPolarHBondContact OG-CB 3.4Å; S41-D44 PolarHBondContact OG-N 2.84Å; S41-D44 VanDerWaalsContact OG-N 3.09Å; S41-D44 PolarHBondContact OG-OD2 2.82Å; D44-G46 VanDerWaalsContact C-N 3.32Å; D44-G46 PolarHBondContact O-N 2.99Å; D44-R47 WeakPolarHBondContact O-CB 3.43Å; D44-R47 PolarHBondContact O-N 3.02Å; D44-R47 VanDerWaalsContact O-N 3.09Å; D44-R47 IonicContact OD1-CZ 3.21Å; D44-R47 IonicContact OD1-NH1 3.92Å; D44-R47 PolarHBondContact OD1-NH1 3.13Å; D44-V48 WeakPolarHBondContact O-CG2 3.39Å; D44-V48 PolarHBondContact O-N 2.94Å
45F95.3Very high93.5Very high2 Ų250.7 Ų50.71%0.00924%0.238CC..Hα-helixtrans-57.5-46.4169.5-176.1-94.5000111.1L40 S41 R47 V48 C49 L63 V67 V68 R73 H76 L77L40-F45 HydrophobicContact CB-CB 4.38Å; L40-F45 HydrophobicContact CD1-CD2 4.27Å; S41-F45 WeakPolarHBondContact O-CB 3.46Å; S41-F45 PolarHBondContact O-N 2.78Å; F45-R47 VanDerWaalsContact C-N 3.27Å; F45-R47 PolarHBondContact O-N 3.32Å; F45-V48 PolarHBondContact O-N 3.01Å; F45-C49 WeakPolarHBondContact CE1-SG 3.27Å; F45-C49 PolarHBondContact O-N 3.26Å; F45-C49 PolarHBondContact O-SG 3.4Å; F45-L63 HydrophobicContact CE2-CD1 4.22Å; F45-L63 HydrophobicContact CZ-CD1 4.33Å; F45-V67 HydrophobicContact CD2-CG1 3.93Å; F45-V67 HydrophobicContact CE2-CG1 3.78Å; F45-V68 HydrophobicContact CE2-CG2 4.29Å; F45-V68 HydrophobicContact CZ-CG2 4.03Å; F45-R73 HydrophobicContact CD1-CB 3.77Å; F45-R73 HydrophobicContact CD1-CG 3.59Å; F45-R73 HydrophobicContact CE1-CB 3.52Å; F45-R73 HydrophobicContact CE1-CG 3.92Å; F45-R73 VanDerWaalsContact CE1-O 3.29Å; F45-R73 WeakPolarHBondContact CE1-O 3.45Å; F45-R73 HydrophobicContact CG-CG 4.05Å; F45-R73 HydrophobicContact CZ-CB 4.09Å; F45-H76 HydrophobicContact CD1-CB 4.17Å; F45-H76 HydrophobicContact CE1-CB 4Å; F45-L77 HydrophobicContact CZ-CB 4.4Å
46G95.6Very high93.5Very high8 Ų860.1 Ų60.18%0.08227%0.273CS..Hα-helixtrans-59.8-33.8174.700000113.6D42 R43 D44 R50D42-G46 PolarHBondContact O-N 3.3Å; R43-G46 PolarHBondContact O-N 3.24Å; D44-G46 VanDerWaalsContact C-N 3.32Å; D44-G46 PolarHBondContact O-N 2.99Å; G46-R50 WeakPolarHBondContact O-CG 3.2Å; G46-R50 PolarHBondContact O-N 2.97Å; G46-R50 VanDerWaalsContact O-N 3.1Å
47R95.7Very high93.6Very high89 Ų8957 Ų5734%0.33627%0.265SS..Hα-helixtrans-68-45.6173.7-72.6168.5167175.8-13.7111.9C22 R43 D44 F45 C49 R50 G51C22-R47 VanDerWaalsContact SG-C 3.56Å; R43-R47 WeakPolarHBondContact O-CG 3.35Å; R43-R47 PolarHBondContact O-N 3.06Å; D44-R47 WeakPolarHBondContact O-CB 3.43Å; D44-R47 PolarHBondContact O-N 3.02Å; D44-R47 VanDerWaalsContact O-N 3.09Å; D44-R47 IonicContact OD1-CZ 3.21Å; D44-R47 IonicContact OD1-NH1 3.92Å; D44-R47 PolarHBondContact OD1-NH1 3.13Å; F45-R47 VanDerWaalsContact C-N 3.27Å; F45-R47 PolarHBondContact O-N 3.32Å; R47-C49 VanDerWaalsContact C-N 3.33Å; R47-C49 PolarHBondContact O-N 3.27Å; R47-R50 WeakPolarHBondContact O-CB 3.44Å; R47-R50 PolarHBondContact O-N 3.24Å; R47-R50 VanDerWaalsContact O-N 3.16Å; R47-G51 PolarHBondContact O-N 2.97Å
48V95.4Very high93.9Very high4 Ų456 Ų562%0.02426%0.255CS..Hα-helixtrans-59.5-45.6175.7175.20000110.1V18 I21 L25 L33 D44 F45 R50 G51 V52V18-V48 HydrophobicContact CG1-CG2 4.19Å; I21-V48 HydrophobicContact CG2-CG1 4.49Å; I21-V48 HydrophobicContact CG2-CG2 4.42Å; L25-V48 HydrophobicContact CD1-CG1 4.35Å; L33-V48 HydrophobicContact CD2-CG1 4.02Å; D44-V48 WeakPolarHBondContact O-CG2 3.39Å; D44-V48 PolarHBondContact O-N 2.94Å; F45-V48 PolarHBondContact O-N 3.01Å; V48-R50 VanDerWaalsContact C-N 3.32Å; V48-R50 PolarHBondContact O-N 3.1Å; V48-G51 CarbonylContact O-C 3.56Å; V48-G51 WeakPolarHBondContact O-CA 3.44Å; V48-G51 PolarHBondContact O-N 3.13Å; V48-V52 HydrophobicContact CG1-CG2 4.4Å; V48-V52 WeakPolarHBondContact O-CG2 3.43Å; V48-V52 PolarHBondContact O-N 2.94Å
49C96.8Very high94.3Very high7 Ų757.5 Ų57.55%0.04726%0.264CS..Hα-helixtrans-57.5-40.5175.2-74.70000112.8F45 R47 G51 V52 A53 H76 A80F45-C49 WeakPolarHBondContact CE1-SG 3.27Å; F45-C49 PolarHBondContact O-N 3.26Å; F45-C49 PolarHBondContact O-SG 3.4Å; R47-C49 VanDerWaalsContact C-N 3.33Å; R47-C49 PolarHBondContact O-N 3.27Å; C49-G51 VanDerWaalsContact C-N 3.33Å; C49-G51 PolarHBondContact O-N 2.96Å; C49-V52 PolarHBondContact O-N 2.91Å; C49-A53 WeakPolarHBondContact O-CB 3.4Å; C49-A53 PolarHBondContact O-N 2.92Å; C49-H76 HydrophobicContact CB-CB 4.21Å; C49-A80 HydrophobicContact CB-CB 3.97Å; C49-A80 WeakPolarHBondContact O-CB 3.42Å
50R96.4Very high94.7Very high194 Ų19450.7 Ų50.773%0.73224%0.24SC*.Hα-helixtrans-64.9-36.6173.5-70.8176.1-169-169.62.3112.5G46 R47 V48 A53 A54G46-R50 WeakPolarHBondContact O-CG 3.2Å; G46-R50 PolarHBondContact O-N 2.97Å; G46-R50 VanDerWaalsContact O-N 3.1Å; R47-R50 WeakPolarHBondContact O-CB 3.44Å; R47-R50 PolarHBondContact O-N 3.24Å; R47-R50 VanDerWaalsContact O-N 3.16Å; V48-R50 VanDerWaalsContact C-N 3.32Å; V48-R50 PolarHBondContact O-N 3.1Å; R50-A53 WeakPolarHBondContact O-CB 3.48Å; R50-A53 PolarHBondContact O-N 2.83Å; R50-A54 PolarHBondContact O-N 3.41Å; R50-A54 VanDerWaalsContact O-N 3.16Å
51G95.6Very high95.1Very high1 Ų150.1 Ų50.11%0.0124%0.237CC..Hα-helixtrans-62.2-46.4171.500000111.8R47 V48 C49 A53 A54 S55R47-G51 PolarHBondContact O-N 2.97Å; V48-G51 CarbonylContact O-C 3.56Å; V48-G51 WeakPolarHBondContact O-CA 3.44Å; V48-G51 PolarHBondContact O-N 3.13Å; C49-G51 VanDerWaalsContact C-N 3.33Å; C49-G51 PolarHBondContact O-N 2.96Å; G51-A53 VanDerWaalsContact C-N 3.33Å; G51-A53 PolarHBondContact O-N 3.02Å; G51-A54 PolarHBondContact O-N 3.24Å; G51-A54 VanDerWaalsContact O-N 3.16Å; G51-S55 PolarHBondContact O-N 3.14Å
52V96.3Very high95.4Very high3 Ų348.6 Ų48.62%0.01823%0.225CC..Hα-helixtrans-59.3-43.8175.8170.80000111L25 V48 C49 A54 S55 L58 L61 A80 N84L25-V52 HydrophobicContact CD1-CG2 4.15Å; V48-V52 HydrophobicContact CG1-CG2 4.4Å; V48-V52 WeakPolarHBondContact O-CG2 3.43Å; V48-V52 PolarHBondContact O-N 2.94Å; C49-V52 PolarHBondContact O-N 2.91Å; V52-A54 VanDerWaalsContact C-N 3.26Å; V52-A54 PolarHBondContact O-N 2.95Å; V52-S55 PolarHBondContact O-N 2.75Å; V52-L58 HydrophobicContact CB-CD2 4.37Å; V52-L58 HydrophobicContact CG1-CD2 3.96Å; V52-L58 HydrophobicContact CG2-CD2 3.95Å; V52-L61 HydrophobicContact CG1-CD2 4.11Å; V52-L61 HydrophobicContact CG2-CD1 4.4Å; V52-L61 HydrophobicContact CG2-CD2 4.15Å; V52-A80 HydrophobicContact CB-CB 4.38Å; V52-A80 HydrophobicContact CG1-CB 4.25Å; V52-N84 PolarHBondContact O-ND2 2.98Å
53A96.6Very high95.6Very high28 Ų2844.6 Ų44.623%0.23120%0.204CC..Hα-helixtrans-59.2-36.9177.200000112.8C49 R50 G51 A80 A83C49-A53 WeakPolarHBondContact O-CB 3.4Å; C49-A53 PolarHBondContact O-N 2.92Å; R50-A53 WeakPolarHBondContact O-CB 3.48Å; R50-A53 PolarHBondContact O-N 2.83Å; G51-A53 VanDerWaalsContact C-N 3.33Å; G51-A53 PolarHBondContact O-N 3.02Å; A53-A80 HydrophobicContact CB-CB 4.17Å; A53-A83 HydrophobicContact CB-CB 4.07Å
54A94.8Very high95.7Very high51 Ų5136.3 Ų36.342%0.42117%0.173SC..Hα-helixtrans-84-22-178.600000113.5R26 R50 G51 V52R26-A54 HydrophobicContact CG-CB 4.23Å; R50-A54 PolarHBondContact O-N 3.41Å; R50-A54 VanDerWaalsContact O-N 3.16Å; G51-A54 PolarHBondContact O-N 3.24Å; G51-A54 VanDerWaalsContact O-N 3.16Å; V52-A54 VanDerWaalsContact C-N 3.26Å; V52-A54 PolarHBondContact O-N 2.95Å
55S94.2Very high95.6Very high4 Ų438.9 Ų38.93%0.02819%0.187CC..  trans-69.8135.1-177.2-172.80000111.8L25 G51 V52 L58 N84L25-S55 WeakPolarHBondContact O-CB 3.38Å; L25-S55 PolarHBondContact O-OG 3.36Å; G51-S55 PolarHBondContact O-N 3.14Å; V52-S55 PolarHBondContact O-N 2.75Å; S55-L58 WeakPolarHBondContact OG-CB 3.39Å; S55-L58 PolarHBondContact OG-N 3.3Å; S55-N84 PolarHBondContact O-ND2 3.01Å
56R92.9Very high95Very high197 Ų19740.1 Ų40.174%0.74320%0.2SC*.SBendtrans-107.7-5.8179.4-60.9176.6-70-178.2-3.3112.9D28 S86D28-R56 PolarHBondContact OD1-N 3.22Å; D28-R56 IonicContact OD2-CZ 3.6Å; D28-R56 IonicContact OD2-NE 2.76Å; D28-R56 PolarHBondContact OD2-NE 2.82Å; D28-R56 IonicContact OD2-NH2 3.02Å; D28-R56 PolarHBondContact OD2-NH2 3.23Å; R56-S86 VanDerWaalsContact C-CB 3.49Å; R56-S86 WeakPolarHBondContact O-CB 3.26Å
57C94.4Very high94.7Very high22 Ų2239.8 Ų39.815%0.14920%0.196CC..SBendtrans-123.4-5.1-178.269.70000114.3D28 V30 V59D28-C57 WeakPolarHBondContact CA-SG 3.48Å; D28-C57 HydrophobicContact CB-CB 4.35Å; D28-C57 PolarHBondContact O-SG 2.93Å; V30-C57 PolarHBondContact O-SG 3.22Å; C57-V59 WeakPolarHBondContact O-CG2 3.49Å; C57-V59 PolarHBondContact O-N 3.49Å; C57-V59 VanDerWaalsContact O-N 3.15Å
58L95.6Very high94.5Very high0 Ų035.6 Ų35.60%018%0.18CC..  trans-64.5116.8177.8-173.171.4000109L25 V30 L33 V52 S55 L61 S86 L87L25-L58 HydrophobicContact CD2-CD1 4.1Å; L25-L58 HydrophobicContact CD2-CD2 4.15Å; V30-L58 HydrophobicContact CG1-CD1 4.18Å; L33-L58 HydrophobicContact CB-CD1 3.88Å; V52-L58 HydrophobicContact CB-CD2 4.37Å; V52-L58 HydrophobicContact CG1-CD2 3.96Å; V52-L58 HydrophobicContact CG2-CD2 3.95Å; S55-L58 WeakPolarHBondContact OG-CB 3.39Å; S55-L58 PolarHBondContact OG-N 3.3Å; L58-L61 HydrophobicContact CD2-CB 4.34Å; L58-S86 PolarHBondContact N-OG 3.31Å; L58-S86 CarbonylContact O-C 3.57Å; L58-S86 WeakPolarHBondContact O-CB 3.42Å; L58-S86 PolarHBondContact O-OG 3Å; L58-L87 HydrophobicContact CD2-CD1 4Å; L58-L87 HydrophobicContact CG-CD1 3.97Å; L58-L87 VanDerWaalsContact O-CA 3.3Å; L58-L87 WeakPolarHBondContact O-CA 3.12Å; L58-L87 PolarHBondContact O-N 2.79Å
59V96.6Very high94.2Very high38 Ų3838.2 Ų38.223%0.2320%0.199CC..  trans-97.7-40.1-179.1179.70000110.3R31 C57 L87 Q88 T89R31-V59 PolarHBondContact O-N 3.12Å; C57-V59 WeakPolarHBondContact O-CG2 3.49Å; C57-V59 PolarHBondContact O-N 3.49Å; C57-V59 VanDerWaalsContact O-N 3.15Å; V59-L87 WeakPolarHBondContact O-CD1 3.26Å; V59-Q88 HydrophobicContact CG1-CB 4.04Å; V59-Q88 HydrophobicContact CG1-CG 4.15Å; V59-Q88 PolarHBondContact O-N 2.9Å; V59-T89 PolarHBondContact O-N 3.23Å
60Q97.6Very high94Very high56 Ų5640 Ų4026%0.26221%0.212SC..EExtended strand (participates in β ladder)trans-130.2131.2-174179.4177.1-34.900111.7R31 L32 L33 T89 F91R31-Q60 PolarHBondContact O-N 2.92Å; R31-Q60 VanDerWaalsContact O-N 3.1Å; L32-Q60 WeakPolarHBondContact CA-O 3.48Å; L32-Q60 HydrophobicContact CB-CB 4.4Å; L32-Q60 HydrophobicContact CD1-CB 4.43Å; L32-Q60 HydrophobicContact CD1-CG 4.36Å; L32-Q60 HydrophobicContact CG-CB 4.06Å; L32-Q60 HydrophobicContact CG-CG 4.12Å; L33-Q60 PolarHBondContact N-O 3.06Å; Q60-T89 WeakPolarHBondContact CA-O 3.4Å; Q60-T89 HydrophobicContact CG-CG2 4.1Å; Q60-F91 HydrophobicContact CG-CD2 4.27Å; Q60-F91 HydrophobicContact CG-CE2 3.89Å
61L97.4Very high93.8Very high2 Ų234.6 Ų34.61%0.0120%0.196CC..EExtended strand (participates in β ladder)trans-126.4118.1176.4-179.759.1000109.5L33 V52 L58 L63 L77 L87 T89 L90 F91L33-L61 HydrophobicContact CB-CD1 4.09Å; L33-L61 HydrophobicContact CD2-CD1 3.9Å; L33-L61 HydrophobicContact CG-CD1 4.06Å; L33-L61 CarbonylContact O-C 3.46Å; L33-L61 WeakPolarHBondContact O-CA 3.39Å; V52-L61 HydrophobicContact CG1-CD2 4.11Å; V52-L61 HydrophobicContact CG2-CD1 4.4Å; V52-L61 HydrophobicContact CG2-CD2 4.15Å; L58-L61 HydrophobicContact CD2-CB 4.34Å; L61-L63 HydrophobicContact CD1-CD2 3.87Å; L61-L63 HydrophobicContact CD1-CG 4.12Å; L61-L63 HydrophobicContact CD2-CD1 4.03Å; L61-L63 HydrophobicContact CD2-CG 4.34Å; L61-L63 HydrophobicContact CG-CD1 4.18Å; L61-L63 HydrophobicContact CG-CD2 4.26Å; L61-L63 HydrophobicContact CG-CG 3.94Å; L61-L77 HydrophobicContact CD2-CD1 4.09Å; L61-L87 HydrophobicContact CB-CD1 3.63Å; L61-L87 HydrophobicContact CB-CD2 4.16Å; L61-L87 HydrophobicContact CD2-CD2 4.5Å; L61-T89 PolarHBondContact N-O 3.43Å; L61-L90 HydrophobicContact CB-CD1 4.15Å; L61-L90 HydrophobicContact CD2-CD1 4.04Å; L61-L90 HydrophobicContact CG-CD1 4.11Å; L61-L90 WeakPolarHBondContact O-CA 3.21Å; L61-F91 PolarHBondContact O-N 2.97Å
62N97.2Very high93.8Very high21 Ų2135.9 Ų35.911%0.11221%0.21CC..EExtended strand (participates in β ladder)trans-114.8111.9178-176.5-26.1000110.3L33 S34 V35 N64 F91L33-N62 PolarHBondContact O-N 3.43Å; S34-N62 WeakPolarHBondContact CA-O 3.42Å; V35-N62 PolarHBondContact N-O 3.44Å; N62-N64 WeakPolarHBondContact OD1-CB 3.46Å; N62-N64 PolarHBondContact OD1-N 3.1Å; N62-N64 PolarHBondContact OD1-OD1 2.96Å; N62-F91 HydrophobicContact CB-CB 4.24Å; N62-F91 HydrophobicContact CB-CD2 3.96Å
63L96.1Very high93.8Very high3 Ų336.8 Ų36.82%0.01621%0.213CC..  trans-118.427.5179.4-54.9175.9000111.1V35 F45 L61 V67 V68 L77 F91 L92V35-L63 HydrophobicContact CG2-CD2 3.39Å; F45-L63 HydrophobicContact CE2-CD1 4.22Å; F45-L63 HydrophobicContact CZ-CD1 4.33Å; L61-L63 HydrophobicContact CD1-CD2 3.87Å; L61-L63 HydrophobicContact CD1-CG 4.12Å; L61-L63 HydrophobicContact CD2-CD1 4.03Å; L61-L63 HydrophobicContact CD2-CG 4.34Å; L61-L63 HydrophobicContact CG-CD1 4.18Å; L61-L63 HydrophobicContact CG-CD2 4.26Å; L61-L63 HydrophobicContact CG-CG 3.94Å; L63-V67 HydrophobicContact CB-CB 4.12Å; L63-V67 HydrophobicContact CB-CG1 4.31Å; L63-V67 HydrophobicContact CD2-CG1 4.16Å; L63-V67 WeakPolarHBondContact O-CB 3.36Å; L63-V67 WeakPolarHBondContact O-CG2 3.45Å; L63-V68 HydrophobicContact CB-CG2 4.11Å; L63-V68 HydrophobicContact CD1-CG2 3.89Å; L63-L77 HydrophobicContact CD1-CD1 4.03Å; L63-L77 HydrophobicContact CD1-CD2 4.03Å; L63-F91 PolarHBondContact N-O 3.34Å; L63-L92 HydrophobicContact CB-CD2 3.97Å; L63-L92 HydrophobicContact CD1-CD2 4.08Å; L63-L92 HydrophobicContact CG-CD2 4.49Å
64N94.9Very high93.8Very high7 Ų735.5 Ų35.54%0.03720%0.202CC..THydrogen-bonded Turntrans-60.4159.4-177.4-69.64000112.1R36 G37 N62 V67 F91 L92 H93R36-N64 CarbonylContact C-O 3.47Å; R36-N64 WeakPolarHBondContact CA-O 3.47Å; R36-N64 HydrophobicContact CG-CB 3.96Å; R36-N64 PolarHBondContact NH1-ND2 3.46Å; G37-N64 PolarHBondContact N-O 3.13Å; N62-N64 WeakPolarHBondContact OD1-CB 3.46Å; N62-N64 PolarHBondContact OD1-N 3.1Å; N62-N64 PolarHBondContact OD1-OD1 2.96Å; N64-V67 WeakPolarHBondContact O-CG2 3.46Å; N64-F91 WeakPolarHBondContact OD1-CB 3.38Å; N64-F91 PolarHBondContact OD1-O 3.44Å; N64-F91 VanDerWaalsContact OD1-O 3.13Å; N64-L92 PolarHBondContact OD1-N 3.39Å; N64-H93 CarbonylContact C-O 3.52Å; N64-H93 WeakPolarHBondContact CA-O 3.46Å; N64-H93 HydrophobicContact CB-CB 4.3Å; N64-H93 WeakPolarHBondContact CB-O 3.48Å; N64-H93 WeakPolarHBondContact ND2-CB 3.39Å; N64-H93 PolarHBondContact OD1-N 3.01Å
65L91.4Very high93.9Very high80 Ų8040.3 Ų40.342%0.41921%0.209SC..THydrogen-bonded Turntrans64.370.4174.6-52.3-178000113.3R36 G37 V67 H93R36-L65 HydrophobicContact CG-CB 4.46Å; R36-L65 HydrophobicContact CG-CD1 3.88Å; R36-L65 HydrophobicContact CG-CG 4.04Å; R36-L65 VanDerWaalsContact NE-CD1 3.29Å; G37-L65 WeakPolarHBondContact CA-O 3.4Å; L65-V67 PolarHBondContact O-N 3.17Å; L65-V67 VanDerWaalsContact O-N 3.15Å; L65-H93 PolarHBondContact N-O 3.44Å
66G84.2Confident94Very high28 Ų2843.5 Ų43.529%0.28922%0.224SC..THydrogen-bonded Turntrans71.310.8165.400000116V68 S69 G94G66-V68 VanDerWaalsContact C-N 3.34Å; G66-S69 VanDerWaalsContact O-CB 3.24Å; G66-S69 WeakPolarHBondContact O-CB 3.49Å; G66-S69 PolarHBondContact O-OG 3.13Å; G66-S69 VanDerWaalsContact O-OG 3.1Å; G66-G94 PolarHBondContact N-O 3.42Å
67V88.9Confident94.2Very high0 Ų034.2 Ų34.20%019%0.189CC..THydrogen-bonded Turntrans-67.2-40.6174.9-175.50000109.8V35 L40 F45 L63 N64 L65 S69 R73V35-V67 HydrophobicContact CG2-CG1 4.43Å; V35-V67 VanDerWaalsContact O-CG2 3.22Å; V35-V67 WeakPolarHBondContact O-CG2 3.43Å; L40-V67 HydrophobicContact CD1-CG1 4.11Å; F45-V67 HydrophobicContact CD2-CG1 3.93Å; F45-V67 HydrophobicContact CE2-CG1 3.78Å; L63-V67 HydrophobicContact CB-CB 4.12Å; L63-V67 HydrophobicContact CB-CG1 4.31Å; L63-V67 HydrophobicContact CD2-CG1 4.16Å; L63-V67 WeakPolarHBondContact O-CB 3.36Å; L63-V67 WeakPolarHBondContact O-CG2 3.45Å; N64-V67 WeakPolarHBondContact O-CG2 3.46Å; L65-V67 PolarHBondContact O-N 3.17Å; L65-V67 VanDerWaalsContact O-N 3.15Å; V67-S69 PolarHBondContact O-N 2.88Å; V67-R73 WeakPolarHBondContact O-CD 3.15Å; V67-R73 PolarHBondContact O-NH1 2.81Å
68V91.8Very high94.4Very high1 Ų133.6 Ų33.61%0.00619%0.186CC..SBendtrans-96.469.7174-166.50000109.8F45 L63 G66 R73 A74 L77 L92 L97F45-V68 HydrophobicContact CE2-CG2 4.29Å; F45-V68 HydrophobicContact CZ-CG2 4.03Å; L63-V68 HydrophobicContact CB-CG2 4.11Å; L63-V68 HydrophobicContact CD1-CG2 3.89Å; G66-V68 VanDerWaalsContact C-N 3.34Å; V68-R73 HydrophobicContact CG1-CB 4.05Å; V68-A74 HydrophobicContact CG1-CB 4.23Å; V68-L77 HydrophobicContact CG2-CD2 4.22Å; V68-L92 HydrophobicContact CG2-CD2 3.84Å; V68-L97 HydrophobicContact CB-CD2 4.16Å; V68-L97 HydrophobicContact CG1-CD2 3.63Å
69S87.8Confident94.4Very high60 Ų6039 Ų3942%0.4221%0.214SC..  trans-96.32.5-173.446.10000115.4G66 V67G66-S69 VanDerWaalsContact O-CB 3.24Å; G66-S69 WeakPolarHBondContact O-CB 3.49Å; G66-S69 PolarHBondContact O-OG 3.13Å; G66-S69 VanDerWaalsContact O-OG 3.1Å; V67-S69 PolarHBondContact O-N 2.88Å
70S92.9Very high94.5Very high44 Ų4437.2 Ų37.231%0.30820%0.204SC..SBendtrans-143.6156.7179.480.30000112G72 R73 A74S70-G72 PolarHBondContact O-N 3.37Å; S70-G72 PolarHBondContact OG-N 3.47Å; S70-R73 PolarHBondContact O-N 3.08Å; S70-R73 PolarHBondContact OG-N 2.73Å; S70-A74 PolarHBondContact O-N 2.91Å
71I93.8Very high94.4Very high80 Ų8034.6 Ų34.641%0.4119%0.192SC..Hα-helixtrans-62.5-28.8176.6-150.1162.3000112.1A74 R75 A100I71-A74 PolarHBondContact O-N 2.73Å; I71-R75 WeakPolarHBondContact O-CG 3.2Å; I71-R75 PolarHBondContact O-N 2.99Å; I71-A100 HydrophobicContact CD1-CB 3.79Å
72G94.7Very high94.4Very high29 Ų2936.9 Ų36.930%0.29921%0.211SC..Hα-helixtrans-64.3-41.517400000111.8S70 R75 H76S70-G72 PolarHBondContact O-N 3.37Å; S70-G72 PolarHBondContact OG-N 3.47Å; G72-R75 PolarHBondContact O-N 3.05Å; G72-H76 PolarHBondContact O-CD2 2.82Å; G72-H76 VanDerWaalsContact O-CD2 3.28Å; G72-H76 PolarHBondContact O-N 2.96Å
73R95.6Very high94.3Very high21 Ų2138.5 Ų38.58%0.07923%0.227CC..Hα-helixtrans-68.9-41.4173.9-66.6-171.8-172.4-163.8-1.5112.1L40 D42 F45 V67 V68 S70 R75 H76 L77L40-R73 PolarHBondContact O-NH2 2.97Å; D42-R73 IonicContact OD1-CZ 3.99Å; D42-R73 VanDerWaalsContact OD1-CZ 3.23Å; D42-R73 IonicContact OD1-NE 3.18Å; D42-R73 PolarHBondContact OD1-NE 3.39Å; D42-R73 IonicContact OD1-NH2 3.48Å; D42-R73 PolarHBondContact OD1-NH2 3.23Å; F45-R73 HydrophobicContact CD1-CB 3.77Å; F45-R73 HydrophobicContact CD1-CG 3.59Å; F45-R73 HydrophobicContact CE1-CB 3.52Å; F45-R73 HydrophobicContact CE1-CG 3.92Å; F45-R73 VanDerWaalsContact CE1-O 3.29Å; F45-R73 WeakPolarHBondContact CE1-O 3.45Å; F45-R73 HydrophobicContact CG-CG 4.05Å; F45-R73 HydrophobicContact CZ-CB 4.09Å; V67-R73 WeakPolarHBondContact O-CD 3.15Å; V67-R73 PolarHBondContact O-NH1 2.81Å; V68-R73 HydrophobicContact CG1-CB 4.05Å; S70-R73 PolarHBondContact O-N 3.08Å; S70-R73 PolarHBondContact OG-N 2.73Å; R73-R75 VanDerWaalsContact C-N 3.26Å; R73-R75 PolarHBondContact O-N 3Å; R73-H76 PolarHBondContact O-N 2.53Å; R73-L77 WeakPolarHBondContact O-CB 3.44Å; R73-L77 PolarHBondContact O-N 2.83Å
74A96.6Very high94.3Very high1 Ų138.4 Ų38.41%0.00823%0.227CC..Hα-helixtrans-56.9-42.3173.900000111.3V68 S70 I71 L77 A78 A104 L105V68-A74 HydrophobicContact CG1-CB 4.23Å; S70-A74 PolarHBondContact O-N 2.91Å; I71-A74 PolarHBondContact O-N 2.73Å; A74-L77 PolarHBondContact O-N 3.42Å; A74-A78 WeakPolarHBondContact O-CB 3.39Å; A74-A78 PolarHBondContact O-N 2.98Å; A74-A104 HydrophobicContact CB-CB 4.46Å; A74-L105 HydrophobicContact CB-CD1 4.44Å; A74-L105 HydrophobicContact CB-CG 4.25Å; A74-L105 WeakPolarHBondContact O-CD2 3.42Å
75R96.4Very high94.3Very high152 Ų15245.5 Ų45.557%0.57425%0.253SS*.Hα-helixtrans-64.6-45.7174.4-73175.4-178.9175.30.7113.1I71 G72 R73 L77 A78 D79 A104I71-R75 WeakPolarHBondContact O-CG 3.2Å; I71-R75 PolarHBondContact O-N 2.99Å; G72-R75 PolarHBondContact O-N 3.05Å; R73-R75 VanDerWaalsContact C-N 3.26Å; R73-R75 PolarHBondContact O-N 3Å; R75-L77 VanDerWaalsContact C-N 3.26Å; R75-L77 PolarHBondContact O-N 2.9Å; R75-A78 WeakPolarHBondContact O-CB 3.23Å; R75-A78 PolarHBondContact O-N 3.44Å; R75-A78 VanDerWaalsContact O-N 3.14Å; R75-D79 PolarHBondContact O-N 2.87Å; R75-A104 HydrophobicContact CG-CB 4.18Å
76H96.9Very high94.5Very high72 Ų7242.6 Ų42.633%0.33324%0.239SC..Hα-helixtrans-59.3-38.8175.6-78.1-45.5000112.7F45 C49 G72 R73 A80F45-H76 HydrophobicContact CD1-CB 4.17Å; F45-H76 HydrophobicContact CE1-CB 4Å; C49-H76 HydrophobicContact CB-CB 4.21Å; G72-H76 PolarHBondContact O-CD2 2.82Å; G72-H76 VanDerWaalsContact O-CD2 3.28Å; G72-H76 PolarHBondContact O-N 2.96Å; R73-H76 PolarHBondContact O-N 2.53Å; H76-A80 WeakPolarHBondContact O-CB 2.95Å; H76-A80 PolarHBondContact O-N 3.15Å; H76-A80 VanDerWaalsContact O-N 3.15Å
77L97.8Very high95.1Very high1 Ų141.2 Ų41.21%0.00523%0.226CC..Hα-helixtrans-68.8-42.1174.6179.362.3000111.3F45 L61 L63 V68 R73 A74 R75 D79 A80 L81 L92 L105F45-L77 HydrophobicContact CZ-CB 4.4Å; L61-L77 HydrophobicContact CD2-CD1 4.09Å; L63-L77 HydrophobicContact CD1-CD1 4.03Å; L63-L77 HydrophobicContact CD1-CD2 4.03Å; V68-L77 HydrophobicContact CG2-CD2 4.22Å; R73-L77 WeakPolarHBondContact O-CB 3.44Å; R73-L77 PolarHBondContact O-N 2.83Å; A74-L77 PolarHBondContact O-N 3.42Å; R75-L77 VanDerWaalsContact C-N 3.26Å; R75-L77 PolarHBondContact O-N 2.9Å; L77-D79 PolarHBondContact O-N 2.99Å; L77-A80 WeakPolarHBondContact O-CB 3.36Å; L77-A80 PolarHBondContact O-N 2.8Å; L77-A80 VanDerWaalsContact O-N 3.17Å; L77-L81 HydrophobicContact CD1-CD1 4.07Å; L77-L81 HydrophobicContact CD1-CD2 4.44Å; L77-L81 HydrophobicContact CD1-CG 3.99Å; L77-L81 HydrophobicContact CD2-CD1 4.44Å; L77-L81 HydrophobicContact CG-CD1 3.83Å; L77-L81 HydrophobicContact CG-CG 4.22Å; L77-L81 WeakPolarHBondContact O-CB 3.38Å; L77-L81 VanDerWaalsContact O-CG 3.27Å; L77-L81 WeakPolarHBondContact O-CG 3.26Å; L77-L81 PolarHBondContact O-N 2.96Å; L77-L92 HydrophobicContact CD2-CD1 4.14Å; L77-L92 HydrophobicContact CD2-CD2 3.75Å; L77-L105 HydrophobicContact CB-CD2 3.91Å; L77-L105 HydrophobicContact CD2-CD2 3.82Å; L77-L105 HydrophobicContact CG-CD2 3.8Å
78A97.5Very high95.5Very high10 Ų1045.4 Ų45.48%0.08325%0.245CC..Hα-helixtrans-57.5-47.617600000111.7A74 R75 A80 L81 A82 A104 L105 A108A74-A78 WeakPolarHBondContact O-CB 3.39Å; A74-A78 PolarHBondContact O-N 2.98Å; R75-A78 WeakPolarHBondContact O-CB 3.23Å; R75-A78 PolarHBondContact O-N 3.44Å; R75-A78 VanDerWaalsContact O-N 3.14Å; A78-A80 VanDerWaalsContact C-N 3.28Å; A78-A80 PolarHBondContact O-N 3.1Å; A78-L81 PolarHBondContact O-N 2.9Å; A78-A82 WeakPolarHBondContact O-CB 3.42Å; A78-A82 PolarHBondContact O-N 3.36Å; A78-A104 VanDerWaalsContact CB-O 3.3Å; A78-A104 WeakPolarHBondContact CB-O 3.43Å; A78-L105 HydrophobicContact CB-CD2 4.09Å; A78-A108 HydrophobicContact CB-CB 4.36Å; A78-A108 VanDerWaalsContact O-CB 3.28Å; A78-A108 WeakPolarHBondContact O-CB 3.37Å
79D97.2Very high95.8Very high112 Ų11246.5 Ų46.560%0.59925%0.252SS*.Hα-helixtrans-59.6-41176.8-68.1-23.2000111.4R75 L77 A83R75-D79 PolarHBondContact O-N 2.87Å; L77-D79 PolarHBondContact O-N 2.99Å; D79-A83 PolarHBondContact O-N 3.38Å
80A97.2Very high96.3Very high2 Ų243.7 Ų43.72%0.01723%0.232CC..Hα-helixtrans-66.7-45.2178.500000112.4C49 V52 A53 H76 L77 A78 A82 A83 N84C49-A80 HydrophobicContact CB-CB 3.97Å; C49-A80 WeakPolarHBondContact O-CB 3.42Å; V52-A80 HydrophobicContact CB-CB 4.38Å; V52-A80 HydrophobicContact CG1-CB 4.25Å; A53-A80 HydrophobicContact CB-CB 4.17Å; H76-A80 WeakPolarHBondContact O-CB 2.95Å; H76-A80 PolarHBondContact O-N 3.15Å; H76-A80 VanDerWaalsContact O-N 3.15Å; L77-A80 WeakPolarHBondContact O-CB 3.36Å; L77-A80 PolarHBondContact O-N 2.8Å; L77-A80 VanDerWaalsContact O-N 3.17Å; A78-A80 VanDerWaalsContact C-N 3.28Å; A78-A80 PolarHBondContact O-N 3.1Å; A80-A82 VanDerWaalsContact C-N 3.34Å; A80-A83 PolarHBondContact O-N 3.21Å; A80-N84 VanDerWaalsContact O-CB 3.29Å; A80-N84 WeakPolarHBondContact O-CB 3.35Å; A80-N84 PolarHBondContact O-N 3.01Å
81L96.9Very high96.5Very high1 Ų143.7 Ų43.71%0.00523%0.227CC..Hα-helixtrans-66.7-35.6178.2-68173000111.9L77 A78 A83 N84 L87 L90 L105 A108 L109 H112L77-L81 HydrophobicContact CD1-CD1 4.07Å; L77-L81 HydrophobicContact CD1-CD2 4.44Å; L77-L81 HydrophobicContact CD1-CG 3.99Å; L77-L81 HydrophobicContact CD2-CD1 4.44Å; L77-L81 HydrophobicContact CG-CD1 3.83Å; L77-L81 HydrophobicContact CG-CG 4.22Å; L77-L81 WeakPolarHBondContact O-CB 3.38Å; L77-L81 VanDerWaalsContact O-CG 3.27Å; L77-L81 WeakPolarHBondContact O-CG 3.26Å; L77-L81 PolarHBondContact O-N 2.96Å; A78-L81 PolarHBondContact O-N 2.9Å; L81-A83 VanDerWaalsContact C-N 3.27Å; L81-A83 PolarHBondContact O-N 2.63Å; L81-N84 PolarHBondContact O-N 2.96Å; L81-L87 HydrophobicContact CD2-CD2 3.4Å; L81-L90 HydrophobicContact CD1-CD2 3.83Å; L81-L90 HydrophobicContact CD2-CD2 4.42Å; L81-L105 HydrophobicContact CD1-CD2 4.43Å; L81-A108 HydrophobicContact CB-CB 3.89Å; L81-L109 HydrophobicContact CD1-CD2 3.78Å; L81-L109 HydrophobicContact CD1-CG 4.43Å; L81-H112 PolarHBondContact O-CD2 3.48Å; L81-H112 VanDerWaalsContact O-CD2 3.25Å
82A96.1Very high96.7Very high49 Ų4939.9 Ų39.941%0.40521%0.207SC..Hα-helixtrans-62.7-35.3177.700000112.5A78 A80 R85 A108A78-A82 WeakPolarHBondContact O-CB 3.42Å; A78-A82 PolarHBondContact O-N 3.36Å; A80-A82 VanDerWaalsContact C-N 3.34Å; A82-R85 PolarHBondContact O-NH1 2.62Å; A82-R85 PolarHBondContact O-NH2 2.81Å; A82-A108 HydrophobicContact CB-CB 4.19Å
83A95.8Very high96.8Very high56 Ų5640.5 Ų40.546%0.46320%0.202SC..Hα-helixtrans-84.8-33.9176.800000113A53 D79 A80 L81A53-A83 HydrophobicContact CB-CB 4.07Å; D79-A83 PolarHBondContact O-N 3.38Å; A80-A83 PolarHBondContact O-N 3.21Å; L81-A83 VanDerWaalsContact C-N 3.27Å; L81-A83 PolarHBondContact O-N 2.63Å
84N96.4Very high96.7Very high1 Ų140.1 Ų40.11%0.00520%0.204CC..  trans-66148.3-179.8-168.1-79.4000111.3V52 S55 A80 L81 S86 L87 H112V52-N84 PolarHBondContact O-ND2 2.98Å; S55-N84 PolarHBondContact O-ND2 3.01Å; A80-N84 VanDerWaalsContact O-CB 3.29Å; A80-N84 WeakPolarHBondContact O-CB 3.35Å; A80-N84 PolarHBondContact O-N 3.01Å; L81-N84 PolarHBondContact O-N 2.96Å; N84-S86 PolarHBondContact OD1-N 2.8Å; N84-S86 PolarHBondContact OD1-OG 2.77Å; N84-L87 WeakPolarHBondContact OD1-CB 3.14Å; N84-L87 PolarHBondContact OD1-N 3.19Å; N84-H112 PolarHBondContact O-NE2 3.24Å
85R94.3Very high96.6Very high155 Ų15540 Ų4059%0.58520%0.204SC*.SBendtrans-132-6.1-179.5-60.2-67.3179.4-121.14.4113.3A82 P113A82-R85 PolarHBondContact O-NH1 2.62Å; A82-R85 PolarHBondContact O-NH2 2.81Å; R85-P113 HydrophobicContact CB-CG 4.5Å
86S95.4Very high96.4Very high19 Ų1935.2 Ų35.213%0.13319%0.192CC..SBendtrans-105.9-22.3-172.465.70000113.9R56 L58 N84 Q88R56-S86 VanDerWaalsContact C-CB 3.49Å; R56-S86 WeakPolarHBondContact O-CB 3.26Å; L58-S86 PolarHBondContact N-OG 3.31Å; L58-S86 CarbonylContact O-C 3.57Å; L58-S86 WeakPolarHBondContact O-CB 3.42Å; L58-S86 PolarHBondContact O-OG 3Å; N84-S86 PolarHBondContact OD1-N 2.8Å; N84-S86 PolarHBondContact OD1-OG 2.77Å; S86-Q88 PolarHBondContact O-N 2.83Å
87L96.9Very high96.4Very high0 Ų032.2 Ų32.20%018%0.179CC..  trans-67.9128.1-172.8-166.675.1000111L58 V59 L61 L81 N84 L90 H112 A114L58-L87 HydrophobicContact CD2-CD1 4Å; L58-L87 HydrophobicContact CG-CD1 3.97Å; L58-L87 VanDerWaalsContact O-CA 3.3Å; L58-L87 WeakPolarHBondContact O-CA 3.12Å; L58-L87 PolarHBondContact O-N 2.79Å; V59-L87 WeakPolarHBondContact O-CD1 3.26Å; L61-L87 HydrophobicContact CB-CD1 3.63Å; L61-L87 HydrophobicContact CB-CD2 4.16Å; L61-L87 HydrophobicContact CD2-CD2 4.5Å; L81-L87 HydrophobicContact CD2-CD2 3.4Å; N84-L87 WeakPolarHBondContact OD1-CB 3.14Å; N84-L87 PolarHBondContact OD1-N 3.19Å; L87-L90 HydrophobicContact CD2-CB 4.25Å; L87-L90 HydrophobicContact CD2-CD1 4.42Å; L87-H112 PolarHBondContact O-CE1 3.41Å; L87-H112 PolarHBondContact O-ND1 3.42Å; L87-A114 CarbonylContact O-C 3.25Å
88Q97.2Very high96.3Very high88 Ų8836 Ų3641%0.41120%0.198SC..  trans-112.5-30.6-179.6-59.7-177.58.100112.1V59 S86 A114 V116 C117V59-Q88 HydrophobicContact CG1-CB 4.04Å; V59-Q88 HydrophobicContact CG1-CG 4.15Å; V59-Q88 PolarHBondContact O-N 2.9Å; S86-Q88 PolarHBondContact O-N 2.83Å; Q88-A114 WeakPolarHBondContact CA-O 3.49Å; Q88-V116 PolarHBondContact O-N 3.45Å; Q88-C117 PolarHBondContact O-N 3.01Å
89T98.1Very high96.3Very high24 Ų2437.1 Ų37.115%0.14720%0.203CC..EExtended strand (participates in β ladder)trans-129.4124.7-175.3-55.30000110.6V59 Q60 L61 F91 C117V59-T89 PolarHBondContact O-N 3.23Å; Q60-T89 WeakPolarHBondContact CA-O 3.4Å; Q60-T89 HydrophobicContact CG-CG2 4.1Å; L61-T89 PolarHBondContact N-O 3.43Å; T89-F91 HydrophobicContact CG2-CD2 3.87Å; T89-F91 HydrophobicContact CG2-CE1 4.1Å; T89-F91 HydrophobicContact CG2-CE2 3.2Å; T89-F91 HydrophobicContact CG2-CZ 3.33Å; T89-C117 WeakPolarHBondContact CA-O 3.5Å; T89-C117 HydrophobicContact CG2-CB 3.9Å
90L98.3Very high96.2Very high0 Ų034 Ų340%019%0.192CC..EExtended strand (participates in β ladder)trans-125.9120.2177178.462.3000110.4L61 L81 L87 L92 L109 L115 C117 L118 D119L61-L90 HydrophobicContact CB-CD1 4.15Å; L61-L90 HydrophobicContact CD2-CD1 4.04Å; L61-L90 HydrophobicContact CG-CD1 4.11Å; L61-L90 WeakPolarHBondContact O-CA 3.21Å; L81-L90 HydrophobicContact CD1-CD2 3.83Å; L81-L90 HydrophobicContact CD2-CD2 4.42Å; L87-L90 HydrophobicContact CD2-CB 4.25Å; L87-L90 HydrophobicContact CD2-CD1 4.42Å; L90-L92 HydrophobicContact CD1-CD2 4.05Å; L90-L92 HydrophobicContact CD1-CG 4.3Å; L90-L92 HydrophobicContact CD2-CD1 4.09Å; L90-L92 HydrophobicContact CD2-CG 4.28Å; L90-L92 HydrophobicContact CG-CD1 4.4Å; L90-L92 HydrophobicContact CG-CD2 4.35Å; L90-L92 HydrophobicContact CG-CG 4.04Å; L90-L109 HydrophobicContact CD2-CD2 3.75Å; L90-L115 HydrophobicContact CB-CD1 4.05Å; L90-C117 PolarHBondContact N-O 3.35Å; L90-L118 HydrophobicContact CB-CD1 4.23Å; L90-L118 HydrophobicContact CD2-CD1 4.06Å; L90-L118 HydrophobicContact CG-CD1 4.28Å; L90-D119 PolarHBondContact O-N 3.1Å
91F98.2Very high96.2Very high45 Ų4534 Ų3420%0.19719%0.193CC..EExtended strand (participates in β ladder)trans-108.3121.9173.6-54.5-81.4000110.9Q60 L61 N62 L63 N64 T89 D119Q60-F91 HydrophobicContact CG-CD2 4.27Å; Q60-F91 HydrophobicContact CG-CE2 3.89Å; L61-F91 PolarHBondContact O-N 2.97Å; N62-F91 HydrophobicContact CB-CB 4.24Å; N62-F91 HydrophobicContact CB-CD2 3.96Å; L63-F91 PolarHBondContact N-O 3.34Å; N64-F91 WeakPolarHBondContact OD1-CB 3.38Å; N64-F91 PolarHBondContact OD1-O 3.44Å; N64-F91 VanDerWaalsContact OD1-O 3.13Å; T89-F91 HydrophobicContact CG2-CD2 3.87Å; T89-F91 HydrophobicContact CG2-CE1 4.1Å; T89-F91 HydrophobicContact CG2-CE2 3.2Å; T89-F91 HydrophobicContact CG2-CZ 3.33Å; F91-D119 HydrophobicContact CB-CB 4.43Å; F91-D119 HydrophobicContact CD1-CB 3.55Å; F91-D119 HydrophobicContact CE1-CB 4.29Å; F91-D119 HydrophobicContact CG-CB 4.43Å
92L97.5Very high96.1Very high0 Ų034 Ų340%019%0.193CC..  trans-121.29.4176.5-61.2-179.6000113.1L63 N64 V68 L77 L90 G94 S95 L97 L105 D119 L120 C123L63-L92 HydrophobicContact CB-CD2 3.97Å; L63-L92 HydrophobicContact CD1-CD2 4.08Å; L63-L92 HydrophobicContact CG-CD2 4.49Å; N64-L92 PolarHBondContact OD1-N 3.39Å; V68-L92 HydrophobicContact CG2-CD2 3.84Å; L77-L92 HydrophobicContact CD2-CD1 4.14Å; L77-L92 HydrophobicContact CD2-CD2 3.75Å; L90-L92 HydrophobicContact CD1-CD2 4.05Å; L90-L92 HydrophobicContact CD1-CG 4.3Å; L90-L92 HydrophobicContact CD2-CD1 4.09Å; L90-L92 HydrophobicContact CD2-CG 4.28Å; L90-L92 HydrophobicContact CG-CD1 4.4Å; L90-L92 HydrophobicContact CG-CD2 4.35Å; L90-L92 HydrophobicContact CG-CG 4.04Å; L92-G94 PolarHBondContact O-N 3.09Å; L92-S95 WeakPolarHBondContact O-CB 3.32Å; L92-S95 PolarHBondContact O-N 3.23Å; L92-S95 VanDerWaalsContact O-N 3.09Å; L92-S95 PolarHBondContact O-OG 2.85Å; L92-L97 HydrophobicContact CB-CD1 4.46Å; L92-L97 HydrophobicContact CD1-CD1 3.95Å; L92-L105 HydrophobicContact CD1-CD1 3.96Å; L92-D119 WeakPolarHBondContact CB-O 3.47Å; L92-D119 PolarHBondContact N-O 3.37Å; L92-L120 HydrophobicContact CB-CD2 4.27Å; L92-L120 HydrophobicContact CD1-CD2 3.89Å; L92-C123 PolarHBondContact O-SG 3.38Å
93H96.4Very high96.2Very high41 Ų4138 Ų3819%0.1920%0.203CC..THydrogen-bonded Turntrans-48.7135.6-173.3-167.5101.8000113.4N64 L65 S95 D119 G121N64-H93 CarbonylContact C-O 3.52Å; N64-H93 WeakPolarHBondContact CA-O 3.46Å; N64-H93 HydrophobicContact CB-CB 4.3Å; N64-H93 WeakPolarHBondContact CB-O 3.48Å; N64-H93 WeakPolarHBondContact ND2-CB 3.39Å; N64-H93 PolarHBondContact OD1-N 3.01Å; L65-H93 PolarHBondContact N-O 3.44Å; H93-S95 PolarHBondContact O-N 3.19Å; H93-D119 WeakPolarHBondContact CB-OD2 3.47Å; H93-D119 IonicContact CG-OD1 3.23Å; H93-D119 IonicContact ND1-OD1 2.78Å; H93-D119 PolarHBondContact ND1-OD1 2.77Å; H93-D119 IonicContact ND1-OD2 3.97Å; H93-G121 CarbonylContact C-O 3.57Å; H93-G121 WeakPolarHBondContact CA-O 3.44Å; H93-G121 WeakPolarHBondContact ND1-CA 3.43Å
94G94.2Very high96.2Very high13 Ų1336.6 Ų36.613%0.13419%0.192CC..THydrogen-bonded Turntrans68.224.6179.700000113.2G66 L92 G121 D122G66-G94 PolarHBondContact N-O 3.42Å; L92-G94 PolarHBondContact O-N 3.09Å; G94-G121 PolarHBondContact N-O 3.19Å; G94-D122 VanDerWaalsContact CA-O 3.24Å; G94-D122 WeakPolarHBondContact CA-O 3.45Å; G94-D122 PolarHBondContact N-O 2.73Å
95S93.9Very high96.2Very high0 Ų036.6 Ų36.60%019%0.192CC..  trans-104.6119.4171.3-61.90000108.9L92 H93 L97 C123L92-S95 WeakPolarHBondContact O-CB 3.32Å; L92-S95 PolarHBondContact O-N 3.23Å; L92-S95 VanDerWaalsContact O-N 3.09Å; L92-S95 PolarHBondContact O-OG 2.85Å; H93-S95 PolarHBondContact O-N 3.19Å; S95-L97 PolarHBondContact O-N 3.1Å; S95-C123 WeakPolarHBondContact O-CA 3.2Å; S95-C123 WeakPolarHBondContact O-CB 3.49Å; S95-C123 PolarHBondContact O-SG 3.39Å; S95-C123 VanDerWaalsContact O-SG 3.34Å
96P93.1Very high96.3Very high50 Ų5030.5 Ų30.533%0.32517%0.171SC..  trans-74.671.1-174.832.5-37.1000111.2L98 L124P96-L98 VanDerWaalsContact C-N 3.33Å; P96-L98 WeakPolarHBondContact O-CD1 3.27Å; P96-L124 HydrophobicContact CB-CD1 3.9Å
97L95.2Very high96.2Very high9 Ų933.8 Ų33.85%0.04719%0.192CC..  trans-67.3-38-179-66175.9000110.9V68 L92 S95 G101 L105 L120 C123 L125V68-L97 HydrophobicContact CB-CD2 4.16Å; V68-L97 HydrophobicContact CG1-CD2 3.63Å; L92-L97 HydrophobicContact CB-CD1 4.46Å; L92-L97 HydrophobicContact CD1-CD1 3.95Å; S95-L97 PolarHBondContact O-N 3.1Å; L97-G101 WeakPolarHBondContact O-CA 3.49Å; L97-G101 PolarHBondContact O-N 3.01Å; L97-L105 HydrophobicContact CD1-CD1 4.05Å; L97-L105 HydrophobicContact CD2-CD1 3.95Å; L97-L120 HydrophobicContact CD1-CD2 3.69Å; L97-C123 HydrophobicContact CB-CB 4.42Å; L97-C123 HydrophobicContact CD1-CB 4.25Å; L97-C123 HydrophobicContact CG-CB 4.43Å; L97-C123 PolarHBondContact N-O 3.4Å; L97-L125 HydrophobicContact CB-CD2 4.29Å
98L96.1Very high96.2Very high80 Ų8034.2 Ų34.242%0.41920%0.196SC..Hα-helixtrans54.1-172.7-167.3-48.3116.1000111.4P96 A100 L102 C123P96-L98 VanDerWaalsContact C-N 3.33Å; P96-L98 WeakPolarHBondContact O-CD1 3.27Å; L98-A100 VanDerWaalsContact C-N 3.35Å; L98-A100 PolarHBondContact O-N 3.25Å; L98-L102 PolarHBondContact O-N 3.38Å; L98-C123 PolarHBondContact N-O 3.27Å; L98-C123 VanDerWaalsContact N-O 3.09Å
99D97.1Very high96.1Very high35 Ų3530.2 Ų30.219%0.18718%0.177CC..Hα-helixtrans-62.2-43177.6-61.1-58.6000112G101 L102 E103 G126 A128 A129 R156D99-G101 PolarHBondContact O-N 3.47Å; D99-L102 PolarHBondContact O-N 2.77Å; D99-E103 WeakPolarHBondContact O-CB 3.39Å; D99-E103 PolarHBondContact O-N 2.8Å; D99-G126 WeakPolarHBondContact OD1-CA 3.44Å; D99-G126 PolarHBondContact OD1-N 2.98Å; D99-A128 HydrophobicContact CB-CB 4.12Å; D99-A129 VanDerWaalsContact OD1-CB 3.25Å; D99-A129 WeakPolarHBondContact OD1-CB 3.04Å; D99-A129 PolarHBondContact OD1-N 2.89Å; D99-R156 IonicContact OD2-CZ 2.8Å; D99-R156 IonicContact OD2-NH1 2.74Å; D99-R156 PolarHBondContact OD2-NH1 3.46Å; D99-R156 IonicContact OD2-NH2 2.67Å; D99-R156 PolarHBondContact OD2-NH2 3.5Å
100A96.3Very high95.8Very high45 Ų4530.9 Ų30.937%0.37219%0.185SC..Hα-helixtrans-68.6-34.1-17600000113.5I71 L98 A104I71-A100 HydrophobicContact CD1-CB 3.79Å; L98-A100 VanDerWaalsContact C-N 3.35Å; L98-A100 PolarHBondContact O-N 3.25Å; A100-A104 PolarHBondContact O-N 3.37Å
101G96.1Very high95.4Very high3 Ų334.3 Ų34.33%0.03121%0.213CC..Hα-helixtrans-69.9-41.6175.800000111.6L97 D99 A104 L105L97-G101 WeakPolarHBondContact O-CA 3.49Å; L97-G101 PolarHBondContact O-N 3.01Å; D99-G101 PolarHBondContact O-N 3.47Å; G101-A104 PolarHBondContact O-N 3.39Å; G101-L105 WeakPolarHBondContact O-CG 3.44Å; G101-L105 PolarHBondContact O-N 3.15Å
102L96.6Very high95.2Very high1 Ų132.7 Ų32.71%0.00521%0.206CC..Hα-helixtrans-69.9-36.5175.9-168.265.5000111.9L98 D99 A104 L105 N106 L109 L120 L125 A129 I133L98-L102 PolarHBondContact O-N 3.38Å; D99-L102 PolarHBondContact O-N 2.77Å; L102-A104 PolarHBondContact O-N 3.35Å; L102-L105 PolarHBondContact O-N 3.02Å; L102-N106 VanDerWaalsContact O-CB 3.29Å; L102-N106 WeakPolarHBondContact O-CB 3.43Å; L102-N106 PolarHBondContact O-N 2.93Å; L102-L109 HydrophobicContact CD1-CD1 4.07Å; L102-L120 HydrophobicContact CD1-CD1 3.85Å; L102-L120 HydrophobicContact CD1-CD2 4.11Å; L102-L120 HydrophobicContact CD2-CD1 4.35Å; L102-L125 HydrophobicContact CB-CD2 4.13Å; L102-L125 HydrophobicContact CD2-CD1 4.16Å; L102-L125 HydrophobicContact CD2-CD2 4.17Å; L102-A129 HydrophobicContact CB-CB 4.13Å; L102-A129 HydrophobicContact CD2-CB 3.48Å; L102-A129 VanDerWaalsContact CD2-CB 3.48Å; L102-A129 HydrophobicContact CG-CB 4.41Å; L102-I133 HydrophobicContact CD2-CD1 3.67Å; L102-I133 HydrophobicContact CD2-CG1 3.76Å
103E96.9Very high95Very high132 Ų13236.7 Ų36.762%0.61723%0.232SC*.Hα-helixtrans-56.5-39.4172.9-173.1179.4-175.300112D99 P107 L132D99-E103 WeakPolarHBondContact O-CB 3.39Å; D99-E103 PolarHBondContact O-N 2.8Å; E103-P107 WeakPolarHBondContact O-CD 3.45Å; E103-L132 HydrophobicContact CB-CD1 4.11Å; E103-L132 HydrophobicContact CG-CD1 4.47Å
104A96.9Very high94.8Very high28 Ų2836.1 Ų36.123%0.23123%0.234CC..Hα-helixtrans-68.4-34.7175.100000113.2A74 R75 A78 A100 G101 L102A74-A104 HydrophobicContact CB-CB 4.46Å; R75-A104 HydrophobicContact CG-CB 4.18Å; A78-A104 VanDerWaalsContact CB-O 3.3Å; A78-A104 WeakPolarHBondContact CB-O 3.43Å; A100-A104 PolarHBondContact O-N 3.37Å; G101-A104 PolarHBondContact O-N 3.39Å; L102-A104 PolarHBondContact O-N 3.35Å
105L96.3Very high94.9Very high0 Ų035.8 Ų35.80%023%0.229CC..Hα-helixtrans-82.5-31.6-178.4-70.9167.7000113.3A74 L77 A78 L81 L92 L97 G101 L102 A108 L109A74-L105 HydrophobicContact CB-CD1 4.44Å; A74-L105 HydrophobicContact CB-CG 4.25Å; A74-L105 WeakPolarHBondContact O-CD2 3.42Å; L77-L105 HydrophobicContact CB-CD2 3.91Å; L77-L105 HydrophobicContact CD2-CD2 3.82Å; L77-L105 HydrophobicContact CG-CD2 3.8Å; A78-L105 HydrophobicContact CB-CD2 4.09Å; L81-L105 HydrophobicContact CD1-CD2 4.43Å; L92-L105 HydrophobicContact CD1-CD1 3.96Å; L97-L105 HydrophobicContact CD1-CD1 4.05Å; L97-L105 HydrophobicContact CD2-CD1 3.95Å; G101-L105 WeakPolarHBondContact O-CG 3.44Å; G101-L105 PolarHBondContact O-N 3.15Å; L102-L105 PolarHBondContact O-N 3.02Å; L105-A108 PolarHBondContact O-N 2.97Å; L105-L109 HydrophobicContact CB-CD1 3.81Å; L105-L109 HydrophobicContact CB-CG 4.27Å; L105-L109 PolarHBondContact O-N 2.86Å
106N95.3Very high95Very high27 Ų2737.6 Ų37.614%0.14424%0.24CC..Hα-helixtrans-55.4-43.1-168.1-17868000114.4L102 A108 L109 A110 L132L102-N106 VanDerWaalsContact O-CB 3.29Å; L102-N106 WeakPolarHBondContact O-CB 3.43Å; L102-N106 PolarHBondContact O-N 2.93Å; N106-A108 PolarHBondContact O-N 2.85Å; N106-L109 PolarHBondContact O-N 2.79Å; N106-A110 VanDerWaalsContact O-CB 3.24Å; N106-A110 WeakPolarHBondContact O-CB 3.47Å; N106-A110 PolarHBondContact O-N 2.82Å; N106-L132 HydrophobicContact CB-CB 4.29Å; N106-L132 HydrophobicContact CB-CD1 4Å
107P94.6Very high95.3Very high89 Ų8935.6 Ų35.658%0.57823%0.228SC*.Hα-helixtrans-58-37.8177.6-25.235000113.1E103 A111E103-P107 WeakPolarHBondContact O-CD 3.45Å; P107-A111 VanDerWaalsContact O-CB 3.3Å; P107-A111 WeakPolarHBondContact O-CB 3.47Å; P107-A111 PolarHBondContact O-N 2.93Å
108A95.2Very high95.4Very high9 Ų935.2 Ų35.27%0.07423%0.226CC..Hα-helixtrans-76.6-41.1178.500000111.8A78 L81 A82 L105 N106 H112A78-A108 HydrophobicContact CB-CB 4.36Å; A78-A108 VanDerWaalsContact O-CB 3.28Å; A78-A108 WeakPolarHBondContact O-CB 3.37Å; L81-A108 HydrophobicContact CB-CB 3.89Å; A82-A108 HydrophobicContact CB-CB 4.19Å; L105-A108 PolarHBondContact O-N 2.97Å; N106-A108 PolarHBondContact O-N 2.85Å; A108-H112 WeakPolarHBondContact O-CB 3.34Å; A108-H112 PolarHBondContact O-N 3.04Å; A108-H112 VanDerWaalsContact O-N 3.1Å
109L94.9Very high95.5Very high4 Ų432.1 Ų32.12%0.02121%0.209CC..Hα-helixtrans-66-48.8178.7-68.5173.5000112.2L81 L90 L102 L105 N106 A111 H112 L115 L118 M136L81-L109 HydrophobicContact CD1-CD2 3.78Å; L81-L109 HydrophobicContact CD1-CG 4.43Å; L90-L109 HydrophobicContact CD2-CD2 3.75Å; L102-L109 HydrophobicContact CD1-CD1 4.07Å; L105-L109 HydrophobicContact CB-CD1 3.81Å; L105-L109 HydrophobicContact CB-CG 4.27Å; L105-L109 PolarHBondContact O-N 2.86Å; N106-L109 PolarHBondContact O-N 2.79Å; L109-A111 VanDerWaalsContact C-N 3.29Å; L109-A111 PolarHBondContact O-N 3.23Å; L109-H112 WeakPolarHBondContact O-CB 3.4Å; L109-H112 PolarHBondContact O-N 3.41Å; L109-L115 HydrophobicContact CD2-CD2 3.83Å; L109-L118 HydrophobicContact CD1-CD2 4.27Å; L109-L118 HydrophobicContact CD2-CD1 4.29Å; L109-M136 HydrophobicContact CB-CE 3.76Å; L109-M136 HydrophobicContact CB-SD 4.01Å
110A92.1Very high95.5Very high37 Ų3730.4 Ų30.431%0.30620%0.2SC..Hα-helixtrans-64.9-32.6-178.400000112.6N106 M136N106-A110 VanDerWaalsContact O-CB 3.24Å; N106-A110 WeakPolarHBondContact O-CB 3.47Å; N106-A110 PolarHBondContact O-N 2.82Å; A110-M136 HydrophobicContact CB-CG 3.93Å
111A91.3Very high95.6Very high72 Ų7228.3 Ų28.360%0.59518%0.183SC*.THydrogen-bonded Turntrans-91.6-2178.100000113.8P107 L109P107-A111 VanDerWaalsContact O-CB 3.3Å; P107-A111 WeakPolarHBondContact O-CB 3.47Å; P107-A111 PolarHBondContact O-N 2.93Å; L109-A111 VanDerWaalsContact C-N 3.29Å; L109-A111 PolarHBondContact O-N 3.23Å
112H94.1Very high95.6Very high11 Ų1131.5 Ų31.55%0.05120%0.199CC..  trans-67124.4-174-160.6-84.6000110.5L81 N84 L87 A108 L109 A114 L115L81-H112 PolarHBondContact O-CD2 3.48Å; L81-H112 VanDerWaalsContact O-CD2 3.25Å; N84-H112 PolarHBondContact O-NE2 3.24Å; L87-H112 PolarHBondContact O-CE1 3.41Å; L87-H112 PolarHBondContact O-ND1 3.42Å; A108-H112 WeakPolarHBondContact O-CB 3.34Å; A108-H112 PolarHBondContact O-N 3.04Å; A108-H112 VanDerWaalsContact O-N 3.1Å; L109-H112 WeakPolarHBondContact O-CB 3.4Å; L109-H112 PolarHBondContact O-N 3.41Å; H112-A114 VanDerWaalsContact C-N 3.3Å; H112-A114 PolarHBondContact ND1-N 3.1Å; H112-A114 PolarHBondContact O-N 2.89Å; H112-L115 HydrophobicContact CB-CB 3.9Å; H112-L115 PolarHBondContact ND1-N 2.91Å
113P91.4Very high95.6Very high85 Ų8531.5 Ų31.555%0.55220%0.199SC*.SBendtrans-75.7-17.6-16828.2-35.3000114.4R85R85-P113 HydrophobicContact CB-CG 4.5Å
114A93.8Very high95.6Very high28 Ų2828.3 Ų28.323%0.23119%0.186CC..SBendtrans-128.93.1-170.600000114L87 Q88 H112 V116L87-A114 CarbonylContact O-C 3.25Å; Q88-A114 WeakPolarHBondContact CA-O 3.49Å; H112-A114 VanDerWaalsContact C-N 3.3Å; H112-A114 PolarHBondContact ND1-N 3.1Å; H112-A114 PolarHBondContact O-N 2.89Å; A114-V116 PolarHBondContact O-N 3.4Å
115L95.8Very high95.6Very high6 Ų627 Ų273%0.03118%0.175CC..  trans-72.3125.6-176.3-169.772.1000109.9L90 L109 H112 L118 G145L90-L115 HydrophobicContact CB-CD1 4.05Å; L109-L115 HydrophobicContact CD2-CD2 3.83Å; H112-L115 HydrophobicContact CB-CB 3.9Å; H112-L115 PolarHBondContact ND1-N 2.91Å; L115-L118 HydrophobicContact CD2-CB 4.43Å; L115-G145 CarbonylContact O-C 3.39Å; L115-G145 VanDerWaalsContact O-C 3.25Å
116V96.3Very high95.7Very high38 Ų3827 Ų2723%0.2318%0.176CC..  trans-117.6-37.2-176.3177.30000111.3Q88 A114 L146 R147 E148Q88-V116 PolarHBondContact O-N 3.45Å; A114-V116 PolarHBondContact O-N 3.4Å; V116-L146 WeakPolarHBondContact O-CD1 3.38Å; V116-R147 HydrophobicContact CG1-CB 3.84Å; V116-R147 HydrophobicContact CG1-CG 3.93Å; V116-R147 PolarHBondContact O-N 3.12Å; V116-E148 PolarHBondContact O-N 3.24Å
117C98Very high95.8Very high8 Ų828.5 Ų28.55%0.05418%0.183CC..EExtended strand (participates in β ladder)trans-126.9127.2-176.8179.10000110.7Q88 T89 L90 E148Q88-C117 PolarHBondContact O-N 3.01Å; T89-C117 WeakPolarHBondContact CA-O 3.5Å; T89-C117 HydrophobicContact CG2-CB 3.9Å; L90-C117 PolarHBondContact N-O 3.35Å; C117-E148 WeakPolarHBondContact CA-O 3.42Å; C117-E148 HydrophobicContact CB-CB 3.94Å; C117-E148 HydrophobicContact CB-CG 4.49Å; C117-E148 PolarHBondContact SG-OE2 2.86Å
118L98.2Very high96Very high1 Ų127.1 Ų27.11%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-133.3121.7-179.6179.159.9000110.3L90 L109 L115 L120 M136 L146 E148 L149 T150L90-L118 HydrophobicContact CB-CD1 4.23Å; L90-L118 HydrophobicContact CD2-CD1 4.06Å; L90-L118 HydrophobicContact CG-CD1 4.28Å; L109-L118 HydrophobicContact CD1-CD2 4.27Å; L109-L118 HydrophobicContact CD2-CD1 4.29Å; L115-L118 HydrophobicContact CD2-CB 4.43Å; L118-L120 HydrophobicContact CD1-CD1 4.5Å; L118-L120 HydrophobicContact CD1-CD2 4.32Å; L118-L120 HydrophobicContact CD1-CG 4.1Å; L118-L120 HydrophobicContact CD2-CD1 3.83Å; L118-L120 HydrophobicContact CD2-CG 4.28Å; L118-L120 HydrophobicContact CG-CD1 4.05Å; L118-L120 HydrophobicContact CG-CG 3.96Å; L118-M136 HydrophobicContact CD2-CE 3.89Å; L118-L146 HydrophobicContact CB-CD1 3.61Å; L118-E148 PolarHBondContact N-O 3.05Å; L118-L149 HydrophobicContact CB-CD1 4.49Å; L118-L149 WeakPolarHBondContact O-CA 3.2Å; L118-T150 PolarHBondContact O-N 3.1Å
119D98.4Very high96.1Very high15 Ų1526.7 Ų26.78%0.0818%0.176CC..EExtended strand (participates in β ladder)trans-112.8116.1175175.44.8000110.6L90 F91 L92 H93 G121 T150L90-D119 PolarHBondContact O-N 3.1Å; F91-D119 HydrophobicContact CB-CB 4.43Å; F91-D119 HydrophobicContact CD1-CB 3.55Å; F91-D119 HydrophobicContact CE1-CB 4.29Å; F91-D119 HydrophobicContact CG-CB 4.43Å; L92-D119 WeakPolarHBondContact CB-O 3.47Å; L92-D119 PolarHBondContact N-O 3.37Å; H93-D119 WeakPolarHBondContact CB-OD2 3.47Å; H93-D119 IonicContact CG-OD1 3.23Å; H93-D119 IonicContact ND1-OD1 2.78Å; H93-D119 PolarHBondContact ND1-OD1 2.77Å; H93-D119 IonicContact ND1-OD2 3.97Å; D119-G121 PolarHBondContact OD1-N 3.17Å; D119-T150 WeakPolarHBondContact OD1-CG2 3.48Å
120L97.8Very high96.2Very high0 Ų026.6 Ų26.60%018%0.175CC..  trans-123.729.1177.8-64.8169.8000110.7L92 L97 L102 L118 C123 L125 I133 T150 L151 N154L92-L120 HydrophobicContact CB-CD2 4.27Å; L92-L120 HydrophobicContact CD1-CD2 3.89Å; L97-L120 HydrophobicContact CD1-CD2 3.69Å; L102-L120 HydrophobicContact CD1-CD1 3.85Å; L102-L120 HydrophobicContact CD1-CD2 4.11Å; L102-L120 HydrophobicContact CD2-CD1 4.35Å; L118-L120 HydrophobicContact CD1-CD1 4.5Å; L118-L120 HydrophobicContact CD1-CD2 4.32Å; L118-L120 HydrophobicContact CD1-CG 4.1Å; L118-L120 HydrophobicContact CD2-CD1 3.83Å; L118-L120 HydrophobicContact CD2-CG 4.28Å; L118-L120 HydrophobicContact CG-CD1 4.05Å; L118-L120 HydrophobicContact CG-CG 3.96Å; L120-C123 VanDerWaalsContact C-SG 3.52Å; L120-C123 WeakPolarHBondContact O-CB 3.43Å; L120-C123 PolarHBondContact O-SG 3.49Å; L120-L125 HydrophobicContact CB-CD1 3.99Å; L120-L125 HydrophobicContact CD1-CD1 4.34Å; L120-I133 HydrophobicContact CD1-CD1 4.03Å; L120-I133 HydrophobicContact CD1-CG1 4.31Å; L120-T150 CarbonylContact C-O 3.6Å; L120-T150 PolarHBondContact N-O 3.34Å; L120-L151 HydrophobicContact CB-CD2 4.03Å; L120-L151 HydrophobicContact CD1-CD2 4.36Å; L120-N154 PolarHBondContact O-ND2 3.11Å
121G97.1Very high96.4Very high0 Ų027.8 Ų27.80%019%0.186CC..THydrogen-bonded Turntrans-66.5148.7175.100000112.2H93 G94 D119 C123 S152H93-G121 CarbonylContact C-O 3.57Å; H93-G121 WeakPolarHBondContact CA-O 3.44Å; H93-G121 WeakPolarHBondContact ND1-CA 3.43Å; G94-G121 PolarHBondContact N-O 3.19Å; D119-G121 PolarHBondContact OD1-N 3.17Å; G121-C123 PolarHBondContact O-N 3.47Å; G121-C123 VanDerWaalsContact O-N 3.08Å; G121-C123 PolarHBondContact O-SG 2.87Å; G121-S152 CarbonylContact C-O 3.41Å; G121-S152 WeakPolarHBondContact CA-O 3.47Å
122D96.8Very high96.6Very high71 Ų7126.8 Ų26.838%0.3817%0.17SC..THydrogen-bonded Turntrans47.641.2-179.8-17032.3000113.1G94 S152 A153G94-D122 VanDerWaalsContact CA-O 3.24Å; G94-D122 WeakPolarHBondContact CA-O 3.45Å; G94-D122 PolarHBondContact N-O 2.73Å; D122-S152 PolarHBondContact N-O 3.23Å; D122-A153 WeakPolarHBondContact CA-O 3.39Å; D122-A153 HydrophobicContact CB-CB 4.25Å
123C97.1Very high96.7Very high0 Ų026.3 Ų26.30%017%0.168CC..SBendtrans-100.16.2-177.8-74.60000113.3L92 S95 L97 L98 L120 G121 L125 N154L92-C123 PolarHBondContact O-SG 3.38Å; S95-C123 WeakPolarHBondContact O-CA 3.2Å; S95-C123 WeakPolarHBondContact O-CB 3.49Å; S95-C123 PolarHBondContact O-SG 3.39Å; S95-C123 VanDerWaalsContact O-SG 3.34Å; L97-C123 HydrophobicContact CB-CB 4.42Å; L97-C123 HydrophobicContact CD1-CB 4.25Å; L97-C123 HydrophobicContact CG-CB 4.43Å; L97-C123 PolarHBondContact N-O 3.4Å; L98-C123 PolarHBondContact N-O 3.27Å; L98-C123 VanDerWaalsContact N-O 3.09Å; L120-C123 VanDerWaalsContact C-SG 3.52Å; L120-C123 WeakPolarHBondContact O-CB 3.43Å; L120-C123 PolarHBondContact O-SG 3.49Å; G121-C123 PolarHBondContact O-N 3.47Å; G121-C123 VanDerWaalsContact O-N 3.08Å; G121-C123 PolarHBondContact O-SG 2.87Å; C123-L125 HydrophobicContact CB-CD1 4.36Å; C123-L125 HydrophobicContact CB-CD2 3.92Å; C123-L125 HydrophobicContact CB-CG 3.79Å; C123-L125 PolarHBondContact O-N 3.32Å; C123-N154 PolarHBondContact N-OD1 3.43Å
124L96.2Very high96.8Very high66 Ų6623.5 Ų23.535%0.34615%0.15SC..  trans53.136.2-175-57.6174.9000112.6P96 N154 R156P96-L124 HydrophobicContact CB-CD1 3.9Å; L124-N154 PolarHBondContact N-OD1 2.93Å; L124-R156 PolarHBondContact O-NH1 2.83Å
125L97.6Very high96.7Very high0 Ų025 Ų250%017%0.168CC..  trans-69146.4-179.9-58.5-176.6000111.2L97 L102 L120 C123 A129 I133 L151 N154 R156 I157L97-L125 HydrophobicContact CB-CD2 4.29Å; L102-L125 HydrophobicContact CB-CD2 4.13Å; L102-L125 HydrophobicContact CD2-CD1 4.16Å; L102-L125 HydrophobicContact CD2-CD2 4.17Å; L120-L125 HydrophobicContact CB-CD1 3.99Å; L120-L125 HydrophobicContact CD1-CD1 4.34Å; C123-L125 HydrophobicContact CB-CD1 4.36Å; C123-L125 HydrophobicContact CB-CD2 3.92Å; C123-L125 HydrophobicContact CB-CG 3.79Å; C123-L125 PolarHBondContact O-N 3.32Å; L125-A129 HydrophobicContact CB-CB 3.84Å; L125-A129 HydrophobicContact CD1-CB 4.42Å; L125-A129 HydrophobicContact CD2-CB 3.84Å; L125-A129 HydrophobicContact CG-CB 4.23Å; L125-I133 HydrophobicContact CD1-CD1 3.91Å; L125-L151 HydrophobicContact CD1-CD2 4.28Å; L125-N154 HydrophobicContact CB-CB 4.36Å; L125-N154 WeakPolarHBondContact CB-OD1 3.42Å; L125-N154 WeakPolarHBondContact CG-OD1 3.2Å; L125-N154 PolarHBondContact N-OD1 2.89Å; L125-R156 WeakPolarHBondContact O-CB 3.39Å; L125-I157 HydrophobicContact CB-CD1 4.35Å; L125-I157 VanDerWaalsContact O-CG1 3.31Å; L125-I157 WeakPolarHBondContact O-CG1 3.3Å
126G97.9Very high96.5Very high1 Ų124.9 Ų24.91%0.0117%0.167CC..  trans-116.9-166.8172.700000112.3D99 A128 A129 L130D99-G126 WeakPolarHBondContact OD1-CA 3.44Å; D99-G126 PolarHBondContact OD1-N 2.98Å; G126-A128 VanDerWaalsContact C-N 3.27Å; G126-A128 PolarHBondContact O-N 2.92Å; G126-A129 PolarHBondContact O-N 3Å; G126-L130 PolarHBondContact O-N 2.88Å
127D98.1Very high96.2Very high57 Ų5723.3 Ų23.331%0.30516%0.158SC..Hα-helixtrans-59.1-35.4-175.2-70.59.3000113.7L130 A131 T158 A161D127-L130 PolarHBondContact O-N 2.91Å; D127-A131 PolarHBondContact O-N 3.2Å; D127-T158 VanDerWaalsContact CG-OG1 3.28Å; D127-T158 WeakPolarHBondContact OD1-CG2 3.47Å; D127-T158 PolarHBondContact OD1-N 2.98Å; D127-T158 PolarHBondContact OD1-OG1 3Å; D127-T158 WeakPolarHBondContact OD2-CG2 3.33Å; D127-T158 PolarHBondContact OD2-OG1 3.36Å; D127-A161 HydrophobicContact CB-CB 3.92Å; D127-A161 VanDerWaalsContact CG-CB 3.48Å; D127-A161 VanDerWaalsContact OD1-CB 3.3Å; D127-A161 WeakPolarHBondContact OD1-CB 3.41Å
128A97.3Very high95.3Very high60 Ų6024.2 Ų24.250%0.49616%0.163SC..Hα-helixtrans-70.3-44.2-179.300000111.1D99 G126 L130 A131 L132D99-A128 HydrophobicContact CB-CB 4.12Å; G126-A128 VanDerWaalsContact C-N 3.27Å; G126-A128 PolarHBondContact O-N 2.92Å; A128-L130 PolarHBondContact O-N 2.9Å; A128-A131 PolarHBondContact O-N 3.16Å; A128-L132 WeakPolarHBondContact O-CG 3.21Å; A128-L132 PolarHBondContact O-N 2.8Å
129A97.4Very high94.2Very high0 Ų027.5 Ų27.50%018%0.184CC..Hα-helixtrans-57.8-46.8171.700000112.1D99 L102 L125 G126 A131 L132 I133D99-A129 VanDerWaalsContact OD1-CB 3.25Å; D99-A129 WeakPolarHBondContact OD1-CB 3.04Å; D99-A129 PolarHBondContact OD1-N 2.89Å; L102-A129 HydrophobicContact CB-CB 4.13Å; L102-A129 HydrophobicContact CD2-CB 3.48Å; L102-A129 VanDerWaalsContact CD2-CB 3.48Å; L102-A129 HydrophobicContact CG-CB 4.41Å; L125-A129 HydrophobicContact CB-CB 3.84Å; L125-A129 HydrophobicContact CD1-CB 4.42Å; L125-A129 HydrophobicContact CD2-CB 3.84Å; L125-A129 HydrophobicContact CG-CB 4.23Å; G126-A129 PolarHBondContact O-N 3Å; A129-A131 VanDerWaalsContact C-N 3.29Å; A129-A131 PolarHBondContact O-N 3.1Å; A129-L132 WeakPolarHBondContact O-CB 3.4Å; A129-L132 PolarHBondContact O-N 2.74Å; A129-L132 VanDerWaalsContact O-N 3.1Å; A129-I133 PolarHBondContact O-N 3.43Å; A129-I133 VanDerWaalsContact O-N 3.1Å
130L97.6Very high92.6Very high2 Ų233.9 Ų33.91%0.0122%0.219CC..Hα-helixtrans-63.3-37-179.6-167.570.6000112.2G126 D127 A128 L132 I133 C134 L151 I157 A161 W162 F165G126-L130 PolarHBondContact O-N 2.88Å; D127-L130 PolarHBondContact O-N 2.91Å; A128-L130 PolarHBondContact O-N 2.9Å; L130-L132 VanDerWaalsContact C-N 3.25Å; L130-L132 PolarHBondContact O-N 2.86Å; L130-I133 HydrophobicContact CD1-CD1 4.32Å; L130-I133 PolarHBondContact O-N 3.03Å; L130-I133 VanDerWaalsContact O-N 3.15Å; L130-C134 PolarHBondContact O-N 3.45Å; L130-C134 PolarHBondContact O-SG 3.29Å; L130-L151 HydrophobicContact CD1-CD1 3.64Å; L130-I157 HydrophobicContact CB-CD1 4.31Å; L130-I157 HydrophobicContact CD1-CD1 4.17Å; L130-I157 HydrophobicContact CD2-CD1 4.46Å; L130-I157 HydrophobicContact CD2-CG2 3.62Å; L130-A161 HydrophobicContact CD2-CB 3.77Å; L130-A161 WeakPolarHBondContact CD2-O 3.5Å; L130-W162 HydrophobicContact CD1-CE3 4.47Å; L130-W162 HydrophobicContact CD1-CH2 4.32Å; L130-W162 HydrophobicContact CD1-CZ3 3.93Å; L130-W162 HydrophobicContact CD2-CD2 4.23Å; L130-W162 HydrophobicContact CD2-CE3 3.9Å; L130-W162 HydrophobicContact CD2-CZ3 4.18Å; L130-F165 HydrophobicContact CD1-CB 4.3Å; L130-F165 HydrophobicContact CD1-CD2 3.66Å; L130-F165 HydrophobicContact CD1-CE2 4.18Å; L130-F165 HydrophobicContact CD1-CG 4Å; L130-F165 HydrophobicContact CD2-CB 3.64Å; L130-F165 HydrophobicContact CD2-CG 4.23Å; L130-F165 HydrophobicContact CG-CB 4.06Å; L130-F165 HydrophobicContact CG-CD2 4.11Å; L130-F165 HydrophobicContact CG-CG 4.29Å
131A96.6Very high90.8Very high63 Ų6335.9 Ų35.952%0.52124%0.239SC..Hα-helixtrans-60.8-35.2175.300000112.6D127 A128 A129 C134 G135D127-A131 PolarHBondContact O-N 3.2Å; A128-A131 PolarHBondContact O-N 3.16Å; A129-A131 VanDerWaalsContact C-N 3.29Å; A129-A131 PolarHBondContact O-N 3.1Å; A131-C134 WeakPolarHBondContact O-CB 3.15Å; A131-G135 PolarHBondContact O-N 2.74Å
132L96.1Very high89Confident51 Ų5139.8 Ų39.827%0.26727%0.271SS..Hα-helixtrans-68.1-42.5173.9-62.4174000111.4E103 N106 A128 A129 L130 C134 G135 M136E103-L132 HydrophobicContact CB-CD1 4.11Å; E103-L132 HydrophobicContact CG-CD1 4.47Å; N106-L132 HydrophobicContact CB-CB 4.29Å; N106-L132 HydrophobicContact CB-CD1 4Å; A128-L132 WeakPolarHBondContact O-CG 3.21Å; A128-L132 PolarHBondContact O-N 2.8Å; A129-L132 WeakPolarHBondContact O-CB 3.4Å; A129-L132 PolarHBondContact O-N 2.74Å; A129-L132 VanDerWaalsContact O-N 3.1Å; L130-L132 VanDerWaalsContact C-N 3.25Å; L130-L132 PolarHBondContact O-N 2.86Å; L132-C134 VanDerWaalsContact C-N 3.32Å; L132-C134 PolarHBondContact O-N 2.75Å; L132-G135 WeakPolarHBondContact O-CA 3.47Å; L132-G135 PolarHBondContact O-N 3.41Å; L132-M136 PolarHBondContact O-N 3.22Å
133I95.6Very high87.7Confident1 Ų145.1 Ų45.11%0.00529%0.291CS..Hα-helixtrans-61.7-39.7176.1-64.5157.9000111L102 L120 L125 A129 L130 G135 M136 L149 L151 F165L102-I133 HydrophobicContact CD2-CD1 3.67Å; L102-I133 HydrophobicContact CD2-CG1 3.76Å; L120-I133 HydrophobicContact CD1-CD1 4.03Å; L120-I133 HydrophobicContact CD1-CG1 4.31Å; L125-I133 HydrophobicContact CD1-CD1 3.91Å; A129-I133 PolarHBondContact O-N 3.43Å; A129-I133 VanDerWaalsContact O-N 3.1Å; L130-I133 HydrophobicContact CD1-CD1 4.32Å; L130-I133 PolarHBondContact O-N 3.03Å; L130-I133 VanDerWaalsContact O-N 3.15Å; I133-G135 PolarHBondContact O-N 3.41Å; I133-M136 WeakPolarHBondContact O-CA 3.15Å; I133-M136 WeakPolarHBondContact O-CB 3.1Å; I133-M136 PolarHBondContact O-N 2.83Å; I133-L149 HydrophobicContact CG2-CD1 4.4Å; I133-L149 HydrophobicContact CG2-CD2 3.65Å; I133-L151 HydrophobicContact CD1-CD1 4.43Å; I133-L151 HydrophobicContact CD1-CD2 3.57Å; I133-L151 HydrophobicContact CG2-CD1 4.38Å; I133-F165 HydrophobicContact CG2-CE2 4.05Å
134C94.1Very high86.2Confident26 Ų2645.9 Ų45.918%0.17630%0.297CS..Hα-helixtrans-56.3-38.1172.3-65.70000111.9L130 A131 L132 M136 L137 A168L130-C134 PolarHBondContact O-N 3.45Å; L130-C134 PolarHBondContact O-SG 3.29Å; A131-C134 WeakPolarHBondContact O-CB 3.15Å; L132-C134 VanDerWaalsContact C-N 3.32Å; L132-C134 PolarHBondContact O-N 2.75Å; C134-M136 PolarHBondContact O-N 3.43Å; C134-L137 PolarHBondContact O-N 3.28Å; C134-L137 VanDerWaalsContact O-N 3.1Å; C134-A168 HydrophobicContact CB-CB 3.84Å
135G91.2Very high85.5Confident59 Ų5944.1 Ų44.161%0.60829%0.294SS*.Hα-helixtrans-66.2-21.6175.300000113.9A131 L132 I133 L137A131-G135 PolarHBondContact O-N 2.74Å; L132-G135 WeakPolarHBondContact O-CA 3.47Å; L132-G135 PolarHBondContact O-N 3.41Å; I133-G135 PolarHBondContact O-N 3.41Å; G135-L137 VanDerWaalsContact C-N 3.28Å
136M90.9Very high85.3Confident3 Ų344.2 Ų44.22%0.01530%0.295CS..THydrogen-bonded Turntrans-84.71.5173.5-61179.255.400113.4L109 A110 L118 L132 I133 C134 P138 S144L109-M136 HydrophobicContact CB-CE 3.76Å; L109-M136 HydrophobicContact CB-SD 4.01Å; A110-M136 HydrophobicContact CB-CG 3.93Å; L118-M136 HydrophobicContact CD2-CE 3.89Å; L132-M136 PolarHBondContact O-N 3.22Å; I133-M136 WeakPolarHBondContact O-CA 3.15Å; I133-M136 WeakPolarHBondContact O-CB 3.1Å; I133-M136 PolarHBondContact O-N 2.83Å; C134-M136 PolarHBondContact O-N 3.43Å; M136-P138 VanDerWaalsContact O-CD 3.27Å; M136-P138 WeakPolarHBondContact O-CD 3.45Å; M136-S144 WeakPolarHBondContact O-CB 3.42Å; M136-S144 PolarHBondContact O-OG 3.31Å
137L89.9Confident85.2Confident6 Ų649.7 Ų49.73%0.03132%0.315CS..SBendtrans-116.462.9175.8-59.3177.9000110.2C134 G135 L146 L149 F165 V169 L175C134-L137 PolarHBondContact O-N 3.28Å; C134-L137 VanDerWaalsContact O-N 3.1Å; G135-L137 VanDerWaalsContact C-N 3.28Å; L137-L146 HydrophobicContact CD2-CD2 4.29Å; L137-L149 HydrophobicContact CD1-CD2 4.38Å; L137-F165 HydrophobicContact CD1-CE2 3.76Å; L137-F165 HydrophobicContact CD1-CZ 4.24Å; L137-V169 HydrophobicContact CD1-CG2 4.35Å; L137-L175 HydrophobicContact CD2-CD1 4.35Å; L137-L175 HydrophobicContact CD2-CD2 4.44Å
138P80.3Confident85.2Confident27 Ų2750.9 Ų50.918%0.17532%0.319CS..  trans-69.2147-173.229.4-35000112.1M136M136-P138 VanDerWaalsContact O-CD 3.27Å; M136-P138 WeakPolarHBondContact O-CD 3.45Å
139P73.3Confident85.2Confident69 Ų6948 Ų4845%0.44830%0.295SS..G310 helixtrans-63149.8166.327.1-32.1000110.8G141 H171P139-G141 PolarHBondContact O-N 2.82Å; P139-H171 WeakPolarHBondContact CA-O 3.38Å; P139-H171 HydrophobicContact CB-CB 4.31Å
140D65.2Low85.3Confident149 Ų14949 Ų4980%0.79730%0.301SS*.G310 helixtrans59.741.1164.3-54.3-35.1000117.2A142D140-A142 PolarHBondContact O-N 3.24Å
141G60.3Low85.3Confident42 Ų4248.9 Ų48.943%0.43330%0.3SS..G310 helixtrans6312.3168.800000115.3P139 K143 S173P139-G141 PolarHBondContact O-N 2.82Å; G141-K143 PolarHBondContact O-N 3.32Å; G141-S173 PolarHBondContact N-OG 3.44Å; G141-S173 VanDerWaalsContact N-OG 3.1Å
142A59.2Low85.3Confident82 Ų8246 Ų4668%0.67828%0.277SS*.SBendtrans-7225.1-176.800000114.6D140D140-A142 PolarHBondContact O-N 3.24Å
143K69.1Low85.4Confident184 Ų18444.9 Ų44.980%0.827%0.274SS*.SBendtrans7695.2175.1-68.9-169.8178.1-177.10119G141G141-K143 PolarHBondContact O-N 3.32Å
144S66.1Low85.5Confident16 Ų1644.8 Ų44.811%0.11227%0.274CS..  -136.3135.1127.7163.50000105.6M136 L146 Q174M136-S144 WeakPolarHBondContact O-CB 3.42Å; M136-S144 PolarHBondContact O-OG 3.31Å; S144-L146 PolarHBondContact O-N 3.41Å; S144-L146 WeakPolarHBondContact OG-CB 3.49Å; S144-L146 PolarHBondContact OG-N 2.85Å; S144-Q174 PolarHBondContact O-NE2 2.98Å; S144-Q174 PolarHBondContact O-OE1 3.45Å
145G82.6Confident85.5Confident28 Ų2847.4 Ų47.429%0.28929%0.291SS..  trans-83.28-179.200000114L115 R147L115-G145 CarbonylContact O-C 3.39Å; L115-G145 VanDerWaalsContact O-C 3.25Å; G145-R147 PolarHBondContact O-N 3Å
146L92.8Very high85.8Confident2 Ų250.1 Ų50.11%0.0128%0.283CS..  trans-69.5121.3-169.9-164.173.4000111V116 L118 L137 S144 L149V116-L146 WeakPolarHBondContact O-CD1 3.38Å; L118-L146 HydrophobicContact CB-CD1 3.61Å; L137-L146 HydrophobicContact CD2-CD2 4.29Å; S144-L146 PolarHBondContact O-N 3.41Å; S144-L146 WeakPolarHBondContact OG-CB 3.49Å; S144-L146 PolarHBondContact OG-N 2.85Å; L146-L149 HydrophobicContact CD2-CB 4.1Å; L146-L149 HydrophobicContact CD2-CD1 4.2Å; L146-L149 HydrophobicContact CD2-CD2 4.46Å; L146-L149 HydrophobicContact CD2-CG 4.48Å
147R95.4Very high86.1Confident116 Ų11650.3 Ų50.344%0.43828%0.283SS..  trans-112-24.8177.9-60.4-177-177.2-177.2-1.5112.2V116 G145 R176 V177V116-R147 HydrophobicContact CG1-CB 3.84Å; V116-R147 HydrophobicContact CG1-CG 3.93Å; V116-R147 PolarHBondContact O-N 3.12Å; G145-R147 PolarHBondContact O-N 3Å; R147-R176 HydrophobicContact CB-CG 4.47Å; R147-R176 WeakPolarHBondContact O-CA 3.46Å; R147-R176 PolarHBondContact O-N 2.91Å; R147-V177 PolarHBondContact O-N 3.28Å
148E98Very high86.4Confident83 Ų8353 Ų5339%0.38830%0.3SS..EExtended strand (participates in β ladder)trans-130124-177.1-54.3178.1-169.600109.3V116 C117 L118 V177V116-E148 PolarHBondContact O-N 3.24Å; C117-E148 WeakPolarHBondContact CA-O 3.42Å; C117-E148 HydrophobicContact CB-CB 3.94Å; C117-E148 HydrophobicContact CB-CG 4.49Å; C117-E148 PolarHBondContact SG-OE2 2.86Å; L118-E148 PolarHBondContact N-O 3.05Å; E148-V177 WeakPolarHBondContact CA-O 3.24Å; E148-V177 HydrophobicContact CB-CB 4.18Å; E148-V177 HydrophobicContact CG-CB 3.94Å; E148-V177 HydrophobicContact CG-CG2 3.98Å
149L98.2Very high87.1Confident0 Ų054.9 Ų54.90%031%0.311CS..EExtended strand (participates in β ladder)trans-133.3124.8-179.4177.360.1000109.9L118 I133 L137 L146 L151 F165 L175 V177 L178 N179L118-L149 HydrophobicContact CB-CD1 4.49Å; L118-L149 WeakPolarHBondContact O-CA 3.2Å; I133-L149 HydrophobicContact CG2-CD1 4.4Å; I133-L149 HydrophobicContact CG2-CD2 3.65Å; L137-L149 HydrophobicContact CD1-CD2 4.38Å; L146-L149 HydrophobicContact CD2-CB 4.1Å; L146-L149 HydrophobicContact CD2-CD1 4.2Å; L146-L149 HydrophobicContact CD2-CD2 4.46Å; L146-L149 HydrophobicContact CD2-CG 4.48Å; L149-L151 HydrophobicContact CD1-CD2 4.01Å; L149-L151 HydrophobicContact CD1-CG 4.12Å; L149-L151 HydrophobicContact CD2-CD1 4.08Å; L149-L151 HydrophobicContact CD2-CG 4.28Å; L149-L151 HydrophobicContact CG-CD1 4.36Å; L149-L151 HydrophobicContact CG-CD2 4.45Å; L149-L151 HydrophobicContact CG-CG 4.01Å; L149-F165 HydrophobicContact CD2-CE2 4.08Å; L149-F165 HydrophobicContact CD2-CZ 3.95Å; L149-L175 HydrophobicContact CB-CD1 3.79Å; L149-V177 PolarHBondContact N-O 3.04Å; L149-L178 HydrophobicContact CB-CD1 4.38Å; L149-L178 HydrophobicContact CD2-CD1 4.35Å; L149-L178 HydrophobicContact CG-CD1 4.4Å; L149-L178 WeakPolarHBondContact O-CA 3.46Å; L149-N179 PolarHBondContact O-N 3.43Å
150T98.5Very high88.2Confident19 Ų1958.3 Ų58.312%0.11732%0.319CS..EExtended strand (participates in β ladder)trans-113.6121.6174.1-60.20000109.5L118 D119 L120 S152 N179L118-T150 PolarHBondContact O-N 3.1Å; D119-T150 WeakPolarHBondContact OD1-CG2 3.48Å; L120-T150 CarbonylContact C-O 3.6Å; L120-T150 PolarHBondContact N-O 3.34Å; T150-S152 WeakPolarHBondContact CG2-OG 3.42Å; T150-N179 HydrophobicContact CG2-CB 4.03Å; T150-N179 PolarHBondContact OG1-ND2 3.33Å
151L98.2Very high89.7Confident0 Ų051.5 Ų51.50%028%0.283CS..  trans-124.722.6177.3-62177.1000112.1L120 L125 L130 I133 L149 N154 W162 F165 N179 L180 N183L120-L151 HydrophobicContact CB-CD2 4.03Å; L120-L151 HydrophobicContact CD1-CD2 4.36Å; L125-L151 HydrophobicContact CD1-CD2 4.28Å; L130-L151 HydrophobicContact CD1-CD1 3.64Å; I133-L151 HydrophobicContact CD1-CD1 4.43Å; I133-L151 HydrophobicContact CD1-CD2 3.57Å; I133-L151 HydrophobicContact CG2-CD1 4.38Å; L149-L151 HydrophobicContact CD1-CD2 4.01Å; L149-L151 HydrophobicContact CD1-CG 4.12Å; L149-L151 HydrophobicContact CD2-CD1 4.08Å; L149-L151 HydrophobicContact CD2-CG 4.28Å; L149-L151 HydrophobicContact CG-CD1 4.36Å; L149-L151 HydrophobicContact CG-CD2 4.45Å; L149-L151 HydrophobicContact CG-CG 4.01Å; L151-N154 PolarHBondContact O-ND2 3.13Å; L151-W162 HydrophobicContact CB-CH2 4.15Å; L151-W162 HydrophobicContact CD1-CH2 4.17Å; L151-W162 HydrophobicContact CD1-CZ3 4.13Å; L151-F165 HydrophobicContact CD1-CE1 4.35Å; L151-F165 HydrophobicContact CD1-CE2 3.89Å; L151-F165 HydrophobicContact CD1-CZ 3.76Å; L151-N179 PolarHBondContact N-O 2.84Å; L151-L180 HydrophobicContact CB-CD2 3.98Å; L151-L180 HydrophobicContact CD1-CD2 4.25Å; L151-N183 PolarHBondContact O-ND2 3.07Å
152S97.3Very high91.5Very high4 Ų449.5 Ų49.53%0.02826%0.263CS..THydrogen-bonded Turntrans-50.8146.9-178.1-41.50000112.9G121 D122 T150 N154 D181G121-S152 CarbonylContact C-O 3.41Å; G121-S152 WeakPolarHBondContact CA-O 3.47Å; D122-S152 PolarHBondContact N-O 3.23Å; T150-S152 WeakPolarHBondContact CG2-OG 3.42Å; S152-N154 PolarHBondContact O-N 2.99Å; S152-N154 PolarHBondContact O-ND2 3.37Å; S152-D181 CarbonylContact C-O 3.4Å; S152-D181 WeakPolarHBondContact CA-O 3.42Å; S152-D181 VanDerWaalsContact CB-CG 3.49Å; S152-D181 VanDerWaalsContact CB-OD1 3.26Å; S152-D181 WeakPolarHBondContact CB-OD1 3.48Å; S152-D181 WeakPolarHBondContact CB-OD2 3.29Å; S152-D181 PolarHBondContact OG-OD1 3.01Å; S152-D181 PolarHBondContact OG-OD2 3.11Å
153A97Very high93.3Very high26 Ų2646.8 Ų46.822%0.21524%0.241CC..THydrogen-bonded Turntrans51.447.8171.300000115.3D122 P155 D181D122-A153 WeakPolarHBondContact CA-O 3.39Å; D122-A153 HydrophobicContact CB-CB 4.25Å; A153-P155 WeakPolarHBondContact O-CD 3.16Å; A153-D181 PolarHBondContact N-O 3.35Å
154N97.5Very high94.5Very high0 Ų044.4 Ų44.40%023%0.227CC..  trans-11171.1171.7-75.7-69.7000111.4L120 C123 L124 L125 L151 S152 R156 I157 N183L120-N154 PolarHBondContact O-ND2 3.11Å; C123-N154 PolarHBondContact N-OD1 3.43Å; L124-N154 PolarHBondContact N-OD1 2.93Å; L125-N154 HydrophobicContact CB-CB 4.36Å; L125-N154 WeakPolarHBondContact CB-OD1 3.42Å; L125-N154 WeakPolarHBondContact CG-OD1 3.2Å; L125-N154 PolarHBondContact N-OD1 2.89Å; L151-N154 PolarHBondContact O-ND2 3.13Å; S152-N154 PolarHBondContact O-N 2.99Å; S152-N154 PolarHBondContact O-ND2 3.37Å; N154-R156 PolarHBondContact O-N 3.1Å; N154-R156 VanDerWaalsContact O-N 3.1Å; N154-I157 HydrophobicContact CB-CD1 3.69Å; N154-I157 HydrophobicContact CB-CG1 4.17Å; N154-I157 PolarHBondContact O-N 2.99Å; N154-N183 VanDerWaalsContact C-OD1 3.31Å; N154-N183 WeakPolarHBondContact CA-OD1 3.39Å; N154-N183 PolarHBondContact N-OD1 3.1Å; N154-N183 PolarHBondContact O-OD1 3.37Å
155P95.1Very high96Very high80 Ų8043.7 Ų43.752%0.51922%0.221SC..THydrogen-bonded Turntrans-70.6-10.4-169.630-38.3000114.9A153 I157A153-P155 WeakPolarHBondContact O-CD 3.16Å; P155-I157 PolarHBondContact O-N 3.01Å
156R96.3Very high96.7Very high117 Ų11742.5 Ų42.544%0.44221%0.208SC..THydrogen-bonded Turntrans-76.6-12.5176.7-68.4178.164.4-122.8-8.2112.7D99 L124 L125 N154D99-R156 IonicContact OD2-CZ 2.8Å; D99-R156 IonicContact OD2-NH1 2.74Å; D99-R156 PolarHBondContact OD2-NH1 3.46Å; D99-R156 IonicContact OD2-NH2 2.67Å; D99-R156 PolarHBondContact OD2-NH2 3.5Å; L124-R156 PolarHBondContact O-NH1 2.83Å; L125-R156 WeakPolarHBondContact O-CB 3.39Å; N154-R156 PolarHBondContact O-N 3.1Å; N154-R156 VanDerWaalsContact O-N 3.1Å
157I97.6Very high96.7Very high6 Ų646.4 Ų46.43%0.03123%0.232CC..SBendtrans-76.1126.6178.4-60.7177.6000109.6L125 L130 N154 P155 A161 W162L125-I157 HydrophobicContact CB-CD1 4.35Å; L125-I157 VanDerWaalsContact O-CG1 3.31Å; L125-I157 WeakPolarHBondContact O-CG1 3.3Å; L130-I157 HydrophobicContact CB-CD1 4.31Å; L130-I157 HydrophobicContact CD1-CD1 4.17Å; L130-I157 HydrophobicContact CD2-CD1 4.46Å; L130-I157 HydrophobicContact CD2-CG2 3.62Å; N154-I157 HydrophobicContact CB-CD1 3.69Å; N154-I157 HydrophobicContact CB-CG1 4.17Å; N154-I157 PolarHBondContact O-N 2.99Å; P155-I157 PolarHBondContact O-N 3.01Å; I157-A161 HydrophobicContact CG2-CB 3.77Å; I157-W162 HydrophobicContact CB-CZ2 3.98Å; I157-W162 HydrophobicContact CD1-CH2 3.83Å; I157-W162 HydrophobicContact CD1-CZ2 3.54Å; I157-W162 HydrophobicContact CG1-CZ2 4.32Å; I157-W162 HydrophobicContact CG2-CD2 3.78Å; I157-W162 VanDerWaalsContact CG2-CE2 3.4Å; I157-W162 HydrophobicContact CG2-CG 3.91Å; I157-W162 HydrophobicContact CG2-CZ2 3.91Å; I157-W162 VanDerWaalsContact CG2-NE1 3.3Å
158T96.9Very high96.6Very high62 Ų6241.6 Ų41.638%0.3822%0.218SC..  trans-80.1156179.473.50000112.2D127 K160 A161 W162D127-T158 VanDerWaalsContact CG-OG1 3.28Å; D127-T158 WeakPolarHBondContact OD1-CG2 3.47Å; D127-T158 PolarHBondContact OD1-N 2.98Å; D127-T158 PolarHBondContact OD1-OG1 3Å; D127-T158 WeakPolarHBondContact OD2-CG2 3.33Å; D127-T158 PolarHBondContact OD2-OG1 3.36Å; T158-K160 PolarHBondContact O-N 2.94Å; T158-K160 VanDerWaalsContact O-N 3.11Å; T158-K160 PolarHBondContact OG1-N 3.09Å; T158-A161 WeakPolarHBondContact O-CB 3.27Å; T158-A161 PolarHBondContact O-N 3.13Å; T158-A161 PolarHBondContact OG1-N 2.8Å; T158-W162 PolarHBondContact O-N 2.93Å
159T94.9Very high96.4Very high67 Ų6737.8 Ų37.841%0.41120%0.2SC..Hα-helixtrans-48.5-37.9169.1-46.30000111.9A161 W162 A163 I189T159-A161 VanDerWaalsContact C-N 3.33Å; T159-A161 PolarHBondContact O-N 3.16Å; T159-W162 PolarHBondContact O-N 3.48Å; T159-A163 WeakPolarHBondContact O-CB 3.33Å; T159-A163 PolarHBondContact O-N 2.78Å; T159-I189 HydrophobicContact CG2-CD1 3.42Å; T159-I189 VanDerWaalsContact CG2-CD1 3.42Å; T159-I189 HydrophobicContact CG2-CG1 3.73Å; T159-I189 WeakPolarHBondContact O-CD1 3.07Å
160K96.1Very high96.1Very high141 Ų14138.8 Ų38.861%0.61321%0.208SC*.Hα-helixtrans-67-34.5179.1-162-165.3-177.91770112.4T158 R164T158-K160 PolarHBondContact O-N 2.94Å; T158-K160 VanDerWaalsContact O-N 3.11Å; T158-K160 PolarHBondContact OG1-N 3.09Å; K160-R164 PolarHBondContact O-NH1 3.37Å
161A97.3Very high95.6Very high6 Ų643.3 Ų43.35%0.0523%0.228CC..Hα-helixtrans-73.4-44.6174.800000110.6D127 L130 I157 T158 T159 A163 R164 F165D127-A161 HydrophobicContact CB-CB 3.92Å; D127-A161 VanDerWaalsContact CG-CB 3.48Å; D127-A161 VanDerWaalsContact OD1-CB 3.3Å; D127-A161 WeakPolarHBondContact OD1-CB 3.41Å; L130-A161 HydrophobicContact CD2-CB 3.77Å; L130-A161 WeakPolarHBondContact CD2-O 3.5Å; I157-A161 HydrophobicContact CG2-CB 3.77Å; T158-A161 WeakPolarHBondContact O-CB 3.27Å; T158-A161 PolarHBondContact O-N 3.13Å; T158-A161 PolarHBondContact OG1-N 2.8Å; T159-A161 VanDerWaalsContact C-N 3.33Å; T159-A161 PolarHBondContact O-N 3.16Å; A161-A163 VanDerWaalsContact C-N 3.29Å; A161-A163 PolarHBondContact O-N 2.94Å; A161-R164 WeakPolarHBondContact O-CB 2.92Å; A161-R164 PolarHBondContact O-N 3.48Å; A161-F165 PolarHBondContact O-N 2.89Å
162W97.9Very high95Very high1 Ų143.7 Ų43.70%0.00423%0.23CC..Hα-helixtrans-58.9-37.2174.8-73.8126.1000113.8L130 L151 I157 T158 T159 R164 F165 S166 L180 N183 L185 I189L130-W162 HydrophobicContact CD1-CE3 4.47Å; L130-W162 HydrophobicContact CD1-CH2 4.32Å; L130-W162 HydrophobicContact CD1-CZ3 3.93Å; L130-W162 HydrophobicContact CD2-CD2 4.23Å; L130-W162 HydrophobicContact CD2-CE3 3.9Å; L130-W162 HydrophobicContact CD2-CZ3 4.18Å; L151-W162 HydrophobicContact CB-CH2 4.15Å; L151-W162 HydrophobicContact CD1-CH2 4.17Å; L151-W162 HydrophobicContact CD1-CZ3 4.13Å; I157-W162 HydrophobicContact CB-CZ2 3.98Å; I157-W162 HydrophobicContact CD1-CH2 3.83Å; I157-W162 HydrophobicContact CD1-CZ2 3.54Å; I157-W162 HydrophobicContact CG1-CZ2 4.32Å; I157-W162 HydrophobicContact CG2-CD2 3.78Å; I157-W162 VanDerWaalsContact CG2-CE2 3.4Å; I157-W162 HydrophobicContact CG2-CG 3.91Å; I157-W162 HydrophobicContact CG2-CZ2 3.91Å; I157-W162 VanDerWaalsContact CG2-NE1 3.3Å; T158-W162 PolarHBondContact O-N 2.93Å; T159-W162 PolarHBondContact O-N 3.48Å; W162-R164 VanDerWaalsContact C-N 3.32Å; W162-R164 PolarHBondContact O-N 3.31Å; W162-F165 HydrophobicContact CE3-CB 4.17Å; W162-F165 AromaticContact CE3-CD1 3.78Å; W162-F165 HydrophobicContact CE3-CD1 3.78Å; W162-F165 HydrophobicContact CE3-CG 4.16Å; W162-F165 AromaticContact CZ3-CD1 3.76Å; W162-F165 HydrophobicContact CZ3-CD1 3.76Å; W162-F165 HydrophobicContact CZ3-CE1 4.1Å; W162-F165 HydrophobicContact CZ3-CG 4.2Å; W162-F165 PolarHBondContact O-N 3.13Å; W162-S166 PolarHBondContact O-N 2.93Å; W162-S166 PolarHBondContact O-OG 3.43Å; W162-L180 HydrophobicContact CH2-CD2 3.86Å; W162-L180 HydrophobicContact CZ3-CD2 3.67Å; W162-N183 HydrophobicContact CZ2-CB 4.02Å; W162-L185 HydrophobicContact CB-CD2 4.49Å; W162-L185 HydrophobicContact CD2-CD2 3.61Å; W162-L185 HydrophobicContact CE3-CD2 4.25Å; W162-L185 HydrophobicContact CG-CD2 3.7Å; W162-L185 HydrophobicContact CZ2-CD2 4.17Å; W162-I189 HydrophobicContact CB-CD1 3.95Å; W162-I189 HydrophobicContact CB-CG1 4.06Å; W162-I189 HydrophobicContact CB-CG2 3.85Å
163A96.4Very high94.4Very high25 Ų2545.6 Ų45.621%0.20724%0.244CC..Hα-helixtrans-59-43.5173.400000111.8T159 A161 S166 V167 I189 M192T159-A163 WeakPolarHBondContact O-CB 3.33Å; T159-A163 PolarHBondContact O-N 2.78Å; A161-A163 VanDerWaalsContact C-N 3.29Å; A161-A163 PolarHBondContact O-N 2.94Å; A163-S166 WeakPolarHBondContact O-CB 3.48Å; A163-S166 PolarHBondContact O-N 2.89Å; A163-V167 PolarHBondContact O-N 3.46Å; A163-I189 HydrophobicContact CB-CD1 4.26Å; A163-M192 HydrophobicContact CB-CE 3.55Å; A163-M192 HydrophobicContact CB-SD 3.91Å
164R95.7Very high94.1Very high134 Ų13446.9 Ų46.951%0.50625%0.245SC..Hα-helixtrans-69.3-37.7176.3-66.9-175.4-172.5100.9-22.6112.3K160 A161 W162 S166 V167 A168K160-R164 PolarHBondContact O-NH1 3.37Å; A161-R164 WeakPolarHBondContact O-CB 2.92Å; A161-R164 PolarHBondContact O-N 3.48Å; W162-R164 VanDerWaalsContact C-N 3.32Å; W162-R164 PolarHBondContact O-N 3.31Å; R164-S166 VanDerWaalsContact C-N 3.31Å; R164-V167 WeakPolarHBondContact O-CB 3.42Å; R164-V167 PolarHBondContact O-N 3.2Å; R164-A168 PolarHBondContact O-N 3.41Å
165F96.9Very high93.9Very high0 Ų046.9 Ų46.90%025%0.245CC..Hα-helixtrans-62.7-40.1175.2-179.2-101000111.6L130 I133 L137 L149 L151 A161 W162 V167 A168 V169 L178 L180L130-F165 HydrophobicContact CD1-CB 4.3Å; L130-F165 HydrophobicContact CD1-CD2 3.66Å; L130-F165 HydrophobicContact CD1-CE2 4.18Å; L130-F165 HydrophobicContact CD1-CG 4Å; L130-F165 HydrophobicContact CD2-CB 3.64Å; L130-F165 HydrophobicContact CD2-CG 4.23Å; L130-F165 HydrophobicContact CG-CB 4.06Å; L130-F165 HydrophobicContact CG-CD2 4.11Å; L130-F165 HydrophobicContact CG-CG 4.29Å; I133-F165 HydrophobicContact CG2-CE2 4.05Å; L137-F165 HydrophobicContact CD1-CE2 3.76Å; L137-F165 HydrophobicContact CD1-CZ 4.24Å; L149-F165 HydrophobicContact CD2-CE2 4.08Å; L149-F165 HydrophobicContact CD2-CZ 3.95Å; L151-F165 HydrophobicContact CD1-CE1 4.35Å; L151-F165 HydrophobicContact CD1-CE2 3.89Å; L151-F165 HydrophobicContact CD1-CZ 3.76Å; A161-F165 PolarHBondContact O-N 2.89Å; W162-F165 HydrophobicContact CE3-CB 4.17Å; W162-F165 AromaticContact CE3-CD1 3.78Å; W162-F165 HydrophobicContact CE3-CD1 3.78Å; W162-F165 HydrophobicContact CE3-CG 4.16Å; W162-F165 AromaticContact CZ3-CD1 3.76Å; W162-F165 HydrophobicContact CZ3-CD1 3.76Å; W162-F165 HydrophobicContact CZ3-CE1 4.1Å; W162-F165 HydrophobicContact CZ3-CG 4.2Å; W162-F165 PolarHBondContact O-N 3.13Å; F165-V167 VanDerWaalsContact C-N 3.27Å; F165-V167 PolarHBondContact O-N 2.93Å; F165-A168 WeakPolarHBondContact O-CA 3.47Å; F165-A168 WeakPolarHBondContact O-CB 3.47Å; F165-A168 PolarHBondContact O-N 3.41Å; F165-V169 HydrophobicContact CD1-CG2 3.91Å; F165-V169 HydrophobicContact CE1-CG2 3.47Å; F165-V169 VanDerWaalsContact CE1-CG2 3.47Å; F165-V169 HydrophobicContact CE2-CG2 4.25Å; F165-V169 HydrophobicContact CG-CG2 4.47Å; F165-V169 HydrophobicContact CZ-CG2 3.66Å; F165-V169 WeakPolarHBondContact O-CG2 3.23Å; F165-V169 PolarHBondContact O-N 3.24Å; F165-L178 HydrophobicContact CE1-CD1 4.05Å; F165-L178 HydrophobicContact CE1-CD2 4.02Å; F165-L178 HydrophobicContact CZ-CD1 3.87Å; F165-L178 HydrophobicContact CZ-CD2 4.41Å; F165-L180 HydrophobicContact CE1-CD1 4.33Å; F165-L180 HydrophobicContact CE1-CD2 4.03Å
166S96Very high93.9Very high3 Ų348.2 Ų48.22%0.02124%0.24CC..Hα-helixtrans-57.5-41.5174.2-54.20000111.5W162 A163 R164 V169 A170 L193 A196W162-S166 PolarHBondContact O-N 2.93Å; W162-S166 PolarHBondContact O-OG 3.43Å; A163-S166 WeakPolarHBondContact O-CB 3.48Å; A163-S166 PolarHBondContact O-N 2.89Å; R164-S166 VanDerWaalsContact C-N 3.31Å; S166-V169 PolarHBondContact O-N 2.92Å; S166-A170 PolarHBondContact O-N 3.09Å; S166-L193 WeakPolarHBondContact OG-CD2 3.15Å; S166-A196 WeakPolarHBondContact O-CB 3.43Å
167V93.8Very high94Very high84 Ų8444.1 Ų44.151%0.50923%0.228SC..Hα-helixtrans-63.6-41.8173.7179.70000111.5A163 R164 F165 A170 H171A163-V167 PolarHBondContact O-N 3.46Å; R164-V167 WeakPolarHBondContact O-CB 3.42Å; R164-V167 PolarHBondContact O-N 3.2Å; F165-V167 VanDerWaalsContact C-N 3.27Å; F165-V167 PolarHBondContact O-N 2.93Å; V167-A170 WeakPolarHBondContact O-CB 3.33Å; V167-A170 PolarHBondContact O-N 3.28Å; V167-H171 PolarHBondContact O-N 2.77Å; V167-H171 PolarHBondContact O-ND1 3.22Å
168A93.3Very high94.1Very high16 Ų1643.8 Ų43.813%0.13223%0.226CC..Hα-helixtrans-64-41.317700000112.1C134 R164 F165 A170 H171 S172C134-A168 HydrophobicContact CB-CB 3.84Å; R164-A168 PolarHBondContact O-N 3.41Å; F165-A168 WeakPolarHBondContact O-CA 3.47Å; F165-A168 WeakPolarHBondContact O-CB 3.47Å; F165-A168 PolarHBondContact O-N 3.41Å; A168-A170 VanDerWaalsContact C-N 3.34Å; A168-A170 PolarHBondContact O-N 3.08Å; A168-H171 PolarHBondContact O-N 2.79Å; A168-S172 PolarHBondContact O-N 3.21Å
169V94.1Very high94.1Very high2 Ų242.6 Ų42.61%0.01222%0.218CC..Hα-helixtrans-61.2-42.3175.3172.80000111.2L137 F165 S166 H171 S172 L175 L178 A196 L203L137-V169 HydrophobicContact CD1-CG2 4.35Å; F165-V169 HydrophobicContact CD1-CG2 3.91Å; F165-V169 HydrophobicContact CE1-CG2 3.47Å; F165-V169 VanDerWaalsContact CE1-CG2 3.47Å; F165-V169 HydrophobicContact CE2-CG2 4.25Å; F165-V169 HydrophobicContact CG-CG2 4.47Å; F165-V169 HydrophobicContact CZ-CG2 3.66Å; F165-V169 WeakPolarHBondContact O-CG2 3.23Å; F165-V169 PolarHBondContact O-N 3.24Å; S166-V169 PolarHBondContact O-N 2.92Å; V169-H171 PolarHBondContact O-N 3.25Å; V169-S172 WeakPolarHBondContact O-CB 3.17Å; V169-S172 PolarHBondContact O-N 3.46Å; V169-S172 VanDerWaalsContact O-N 3.09Å; V169-L175 HydrophobicContact CG2-CD2 4.49Å; V169-L178 HydrophobicContact CG1-CD2 4.08Å; V169-L178 HydrophobicContact CG2-CD2 3.81Å; V169-A196 HydrophobicContact CB-CB 4.44Å; V169-A196 HydrophobicContact CG1-CB 4.33Å; V169-L203 HydrophobicContact CG1-CD2 4.24Å
170A91.8Very high94.3Very high22 Ų2239.4 Ų39.418%0.18220%0.198CC..Hα-helixtrans-58.8-32.9178.600000113.2S166 V167 A168 A196S166-A170 PolarHBondContact O-N 3.09Å; V167-A170 WeakPolarHBondContact O-CB 3.33Å; V167-A170 PolarHBondContact O-N 3.28Å; A168-A170 VanDerWaalsContact C-N 3.34Å; A168-A170 PolarHBondContact O-N 3.08Å; A170-A196 HydrophobicContact CB-CB 3.75Å
171H87.2Confident94.4Very high114 Ų11433.9 Ų33.953%0.52818%0.175SC..Hα-helixtrans-95.8-7.4-179.9-63.588000113.1P139 V167 A168 V169 S173P139-H171 WeakPolarHBondContact CA-O 3.38Å; P139-H171 HydrophobicContact CB-CB 4.31Å; V167-H171 PolarHBondContact O-N 2.77Å; V167-H171 PolarHBondContact O-ND1 3.22Å; A168-H171 PolarHBondContact O-N 2.79Å; V169-H171 PolarHBondContact O-N 3.25Å; H171-S173 PolarHBondContact O-N 3.16Å
172S86.6Confident94.3Very high7 Ų737.8 Ų37.85%0.04919%0.189CC..  trans-65.6130.3177.1-176.40000109.9A168 V169 L175A168-S172 PolarHBondContact O-N 3.21Å; V169-S172 WeakPolarHBondContact O-CB 3.17Å; V169-S172 PolarHBondContact O-N 3.46Å; V169-S172 VanDerWaalsContact O-N 3.09Å; S172-L175 WeakPolarHBondContact OG-CB 3.22Å; S172-L175 PolarHBondContact OG-N 3Å
173S84.3Confident94.3Very high44 Ų4437.8 Ų37.831%0.30819%0.189SC..SBendtrans-104.54.2-176.850.50000113.4G141 H171 T202G141-S173 PolarHBondContact N-OG 3.44Å; G141-S173 VanDerWaalsContact N-OG 3.1Å; H171-S173 PolarHBondContact O-N 3.16Å; S173-T202 WeakPolarHBondContact O-CG2 3.27Å
174Q89.7Confident94.1Very high53 Ų5340.4 Ų40.425%0.24820%0.204CC..SBendtrans-138.6-20.3-172.6-69.5-178.874.500114.5S144 R176S144-Q174 PolarHBondContact O-NE2 2.98Å; S144-Q174 PolarHBondContact O-OE1 3.45Å; Q174-R176 PolarHBondContact O-N 3.33Å
175L94.1Very high94.1Very high1 Ų134.3 Ų34.31%0.00518%0.182CC..  trans-67127.1-179-167.870.3000109.8L137 L149 V169 S172 L178 T202 L203L137-L175 HydrophobicContact CD2-CD1 4.35Å; L137-L175 HydrophobicContact CD2-CD2 4.44Å; L149-L175 HydrophobicContact CB-CD1 3.79Å; V169-L175 HydrophobicContact CG2-CD2 4.49Å; S172-L175 WeakPolarHBondContact OG-CB 3.22Å; S172-L175 PolarHBondContact OG-N 3Å; L175-L178 HydrophobicContact CD2-CB 4.08Å; L175-L178 HydrophobicContact CD2-CD1 4.27Å; L175-L178 HydrophobicContact CD2-CD2 4.22Å; L175-L178 HydrophobicContact CD2-CG 4.42Å; L175-T202 CarbonylContact O-C 3.51Å; L175-T202 WeakPolarHBondContact O-CB 3.31Å; L175-T202 PolarHBondContact O-OG1 3.4Å; L175-L203 HydrophobicContact CD2-CD1 4.27Å; L175-L203 HydrophobicContact CG-CD1 4.15Å; L175-L203 WeakPolarHBondContact O-CA 3.26Å; L175-L203 PolarHBondContact O-N 2.96Å
176R95.9Very high94Very high107 Ų10735.4 Ų35.440%0.40419%0.193SC..  trans-114.3-36.4-179.1-66-171174.8-141.61.7112.8R147 Q174 T202 E204 V205R147-R176 HydrophobicContact CB-CG 4.47Å; R147-R176 WeakPolarHBondContact O-CA 3.46Å; R147-R176 PolarHBondContact O-N 2.91Å; Q174-R176 PolarHBondContact O-N 3.33Å; R176-T202 WeakPolarHBondContact CA-O 3.44Å; R176-T202 WeakPolarHBondContact CG-O 3.29Å; R176-E204 WeakPolarHBondContact CD-OE1 3.3Å; R176-E204 IonicContact CZ-OE1 2.65Å; R176-E204 IonicContact NE-OE1 3Å; R176-E204 IonicContact NH1-OE1 3.23Å; R176-E204 PolarHBondContact NH1-OE1 3.1Å; R176-E204 PolarHBondContact O-N 3.32Å; R176-V205 PolarHBondContact O-N 3.22Å
177V98.1Very high94Very high31 Ų3137 Ų3719%0.18820%0.201CC..EExtended strand (participates in β ladder)trans-124.7126.8-179.9-176.50000108.8R147 E148 L149 V205R147-V177 PolarHBondContact O-N 3.28Å; E148-V177 WeakPolarHBondContact CA-O 3.24Å; E148-V177 HydrophobicContact CB-CB 4.18Å; E148-V177 HydrophobicContact CG-CB 3.94Å; E148-V177 HydrophobicContact CG-CG2 3.98Å; L149-V177 PolarHBondContact N-O 3.04Å; V177-V205 WeakPolarHBondContact CA-O 3.32Å; V177-V205 HydrophobicContact CB-CB 4.37Å; V177-V205 HydrophobicContact CG1-CB 4.1Å; V177-V205 HydrophobicContact CG1-CG1 4.17Å; V177-V205 HydrophobicContact CG2-CB 4.12Å; V177-V205 HydrophobicContact CG2-CG2 4.25Å
178L98.4Very high94.1Very high0 Ų039.7 Ų39.70%021%0.208CC..EExtended strand (participates in β ladder)trans-132.2115.4177.3177.756.6000109.7L149 F165 V169 L175 L180 L203 V205 L206 D207L149-L178 HydrophobicContact CB-CD1 4.38Å; L149-L178 HydrophobicContact CD2-CD1 4.35Å; L149-L178 HydrophobicContact CG-CD1 4.4Å; L149-L178 WeakPolarHBondContact O-CA 3.46Å; F165-L178 HydrophobicContact CE1-CD1 4.05Å; F165-L178 HydrophobicContact CE1-CD2 4.02Å; F165-L178 HydrophobicContact CZ-CD1 3.87Å; F165-L178 HydrophobicContact CZ-CD2 4.41Å; V169-L178 HydrophobicContact CG1-CD2 4.08Å; V169-L178 HydrophobicContact CG2-CD2 3.81Å; L175-L178 HydrophobicContact CD2-CB 4.08Å; L175-L178 HydrophobicContact CD2-CD1 4.27Å; L175-L178 HydrophobicContact CD2-CD2 4.22Å; L175-L178 HydrophobicContact CD2-CG 4.42Å; L178-L180 HydrophobicContact CD1-CD2 3.79Å; L178-L180 HydrophobicContact CD1-CG 4.06Å; L178-L180 HydrophobicContact CD2-CD1 4.14Å; L178-L180 HydrophobicContact CD2-CG 4.37Å; L178-L180 HydrophobicContact CG-CD1 4.26Å; L178-L180 HydrophobicContact CG-CD2 4.24Å; L178-L180 HydrophobicContact CG-CG 3.94Å; L178-L203 HydrophobicContact CB-CD1 3.79Å; L178-V205 PolarHBondContact N-O 2.93Å; L178-L206 HydrophobicContact CB-CD1 4.1Å; L178-L206 HydrophobicContact CD2-CD1 3.96Å; L178-L206 HydrophobicContact CG-CD1 3.96Å; L178-L206 WeakPolarHBondContact O-CA 3.47Å; L178-D207 PolarHBondContact O-N 3.37Å
179N98.4Very high94.3Very high37 Ų3738.9 Ų38.920%0.19820%0.202CC..EExtended strand (participates in β ladder)trans-108117.8177.1-54.8-32.5000109.9L149 T150 L151 D207L149-N179 PolarHBondContact O-N 3.43Å; T150-N179 HydrophobicContact CG2-CB 4.03Å; T150-N179 PolarHBondContact OG1-ND2 3.33Å; L151-N179 PolarHBondContact N-O 2.84Å; N179-D207 HydrophobicContact CB-CB 4.19Å
180L98.1Very high94.3Very high0 Ų038.8 Ų38.80%020%0.201CC..  trans-122.914.3-179.4-59.4-179.7000112.3L151 W162 F165 L178 N183 L185 L193 L206 D207 L208 T211L151-L180 HydrophobicContact CB-CD2 3.98Å; L151-L180 HydrophobicContact CD1-CD2 4.25Å; W162-L180 HydrophobicContact CH2-CD2 3.86Å; W162-L180 HydrophobicContact CZ3-CD2 3.67Å; F165-L180 HydrophobicContact CE1-CD1 4.33Å; F165-L180 HydrophobicContact CE1-CD2 4.03Å; L178-L180 HydrophobicContact CD1-CD2 3.79Å; L178-L180 HydrophobicContact CD1-CG 4.06Å; L178-L180 HydrophobicContact CD2-CD1 4.14Å; L178-L180 HydrophobicContact CD2-CG 4.37Å; L178-L180 HydrophobicContact CG-CD1 4.26Å; L178-L180 HydrophobicContact CG-CD2 4.24Å; L178-L180 HydrophobicContact CG-CG 3.94Å; L180-N183 WeakPolarHBondContact O-CB 3.47Å; L180-N183 PolarHBondContact O-N 3.44Å; L180-N183 PolarHBondContact O-ND2 2.93Å; L180-L185 HydrophobicContact CB-CD1 4.14Å; L180-L185 HydrophobicContact CD1-CD1 4.2Å; L180-L193 HydrophobicContact CD1-CD1 3.75Å; L180-L193 HydrophobicContact CD1-CD2 4.2Å; L180-L206 HydrophobicContact CD1-CD1 4.49Å; L180-D207 PolarHBondContact N-O 2.87Å; L180-L208 HydrophobicContact CB-CD2 4.13Å; L180-L208 HydrophobicContact CD1-CD2 4.17Å; L180-T211 VanDerWaalsContact O-CG2 3.26Å; L180-T211 WeakPolarHBondContact O-CG2 3.44Å
181D97.8Very high94.5Very high25 Ų2539.3 Ų39.313%0.13421%0.206CC..THydrogen-bonded Turntrans-52.1149.7-178.155.5-66.5000113.1S152 A153 N183 E209S152-D181 CarbonylContact C-O 3.4Å; S152-D181 WeakPolarHBondContact CA-O 3.42Å; S152-D181 VanDerWaalsContact CB-CG 3.49Å; S152-D181 VanDerWaalsContact CB-OD1 3.26Å; S152-D181 WeakPolarHBondContact CB-OD1 3.48Å; S152-D181 WeakPolarHBondContact CB-OD2 3.29Å; S152-D181 PolarHBondContact OG-OD1 3.01Å; S152-D181 PolarHBondContact OG-OD2 3.11Å; A153-D181 PolarHBondContact N-O 3.35Å; D181-N183 PolarHBondContact O-N 2.89Å; D181-N183 VanDerWaalsContact O-N 3.1Å; D181-N183 PolarHBondContact O-ND2 3.36Å; D181-E209 CarbonylContact C-O 3.56Å; D181-E209 WeakPolarHBondContact CA-O 3.41Å; D181-E209 HydrophobicContact CB-CB 3.93Å; D181-E209 WeakPolarHBondContact CB-O 3.41Å
182Y96.8Very high95Very high88 Ų8837 Ų3735%0.34520%0.196SC..THydrogen-bonded Turntrans56.425.6-179.9-57-69.7000115.2E209 E239Y182-E209 PolarHBondContact N-O 2.87Å; Y182-E239 WeakPolarHBondContact CE1-OE2 3.15Å; Y182-E239 PolarHBondContact OH-OE2 3.27Å
183N96.9Very high95.5Very high1 Ų136.8 Ų36.81%0.00519%0.194CC..  trans-101.9137168-72-67.3000110.8L151 N154 W162 L180 D181 L185 T211L151-N183 PolarHBondContact O-ND2 3.07Å; N154-N183 VanDerWaalsContact C-OD1 3.31Å; N154-N183 WeakPolarHBondContact CA-OD1 3.39Å; N154-N183 PolarHBondContact N-OD1 3.1Å; N154-N183 PolarHBondContact O-OD1 3.37Å; W162-N183 HydrophobicContact CZ2-CB 4.02Å; L180-N183 WeakPolarHBondContact O-CB 3.47Å; L180-N183 PolarHBondContact O-N 3.44Å; L180-N183 PolarHBondContact O-ND2 2.93Å; D181-N183 PolarHBondContact O-N 2.89Å; D181-N183 VanDerWaalsContact O-N 3.1Å; D181-N183 PolarHBondContact O-ND2 3.36Å; N183-L185 HydrophobicContact CB-CD2 3.78Å; N183-L185 HydrophobicContact CB-CG 4.03Å; N183-L185 PolarHBondContact O-N 3.42Å; N183-T211 CarbonylContact O-C 3.52Å; N183-T211 WeakPolarHBondContact O-CA 3.45Å; N183-T211 WeakPolarHBondContact O-CB 3.35Å; N183-T211 WeakPolarHBondContact O-CG2 3.41Å
184P93.1Very high96Very high79 Ų7934.8 Ų34.851%0.51318%0.18SC..  trans-75.673178.632.5-35.8000111.1
185L95.5Very high96.3Very high6 Ų636.9 Ų36.93%0.03120%0.197CC..  trans-77.6-47.7-176.7-57.6-176.6000110.9W162 L180 N183 I189 L193 L208 T211W162-L185 HydrophobicContact CB-CD2 4.49Å; W162-L185 HydrophobicContact CD2-CD2 3.61Å; W162-L185 HydrophobicContact CE3-CD2 4.25Å; W162-L185 HydrophobicContact CG-CD2 3.7Å; W162-L185 HydrophobicContact CZ2-CD2 4.17Å; L180-L185 HydrophobicContact CB-CD1 4.14Å; L180-L185 HydrophobicContact CD1-CD1 4.2Å; N183-L185 HydrophobicContact CB-CD2 3.78Å; N183-L185 HydrophobicContact CB-CG 4.03Å; N183-L185 PolarHBondContact O-N 3.42Å; L185-I189 HydrophobicContact CB-CB 4.03Å; L185-I189 HydrophobicContact CB-CG2 4.05Å; L185-I189 HydrophobicContact CD2-CG2 4.18Å; L185-I189 HydrophobicContact CG-CG2 4.49Å; L185-I189 WeakPolarHBondContact O-CB 3.37Å; L185-I189 WeakPolarHBondContact O-CG1 3.21Å; L185-L193 HydrophobicContact CD1-CD1 3.92Å; L185-L208 HydrophobicContact CD1-CD2 3.82Å; L185-T211 HydrophobicContact CD1-CG2 3.8Å; L185-T211 HydrophobicContact CG-CG2 4.06Å; L185-T211 PolarHBondContact N-O 3.02Å; L185-T211 VanDerWaalsContact N-O 3.12Å
186G94.4Very high96.3Very high24 Ų2437 Ų3725%0.24720%0.197CC..Hα-helixtrans66.3169.9-173.800000114.1Q188 I189 A190 T211G186-Q188 VanDerWaalsContact C-N 3.26Å; G186-Q188 PolarHBondContact O-N 3.45Å; G186-Q188 VanDerWaalsContact O-N 3.16Å; G186-I189 PolarHBondContact O-N 3.25Å; G186-A190 PolarHBondContact O-N 3.36Å; G186-A190 VanDerWaalsContact O-N 3.1Å; G186-T211 PolarHBondContact N-O 2.7Å; G186-T211 VanDerWaalsContact N-O 3.1Å
187D95.7Very high96.2Very high35 Ų3531.9 Ų31.919%0.18718%0.178CC..Hα-helixtrans-60.2-31.8-171.7-68.4-30.6000114.3A190 A191 T214 S217D187-A190 WeakPolarHBondContact O-CB 3.2Å; D187-A190 PolarHBondContact O-N 3.37Å; D187-A191 PolarHBondContact O-N 3.1Å; D187-T214 VanDerWaalsContact CG-OG1 3.32Å; D187-T214 PolarHBondContact OD1-N 2.85Å; D187-T214 PolarHBondContact OD1-OG1 3.1Å; D187-T214 WeakPolarHBondContact OD2-CB 3.25Å; D187-T214 WeakPolarHBondContact OD2-CG2 3.41Å; D187-T214 PolarHBondContact OD2-OG1 2.95Å; D187-S217 WeakPolarHBondContact OD1-CB 3.36Å; D187-S217 PolarHBondContact OD1-OG 3.27Å
188Q95.5Very high95.9Very high141 Ų14131.6 Ų31.666%0.65918%0.179SC*.Hα-helixtrans-64.3-44.3179.7-174.1-178.89.900112.1G186 M192G186-Q188 VanDerWaalsContact C-N 3.26Å; G186-Q188 PolarHBondContact O-N 3.45Å; G186-Q188 VanDerWaalsContact O-N 3.16Å; Q188-M192 HydrophobicContact CG-CE 4.38Å; Q188-M192 PolarHBondContact O-N 3.19Å
189I97.3Very high95.6Very high0 Ų034.8 Ų34.80%020%0.201CC..Hα-helixtrans-72.2-39.5177.5-62.1-52.7000110.2T159 W162 A163 L185 G186 A191 M192 L193T159-I189 HydrophobicContact CG2-CD1 3.42Å; T159-I189 VanDerWaalsContact CG2-CD1 3.42Å; T159-I189 HydrophobicContact CG2-CG1 3.73Å; T159-I189 WeakPolarHBondContact O-CD1 3.07Å; W162-I189 HydrophobicContact CB-CD1 3.95Å; W162-I189 HydrophobicContact CB-CG1 4.06Å; W162-I189 HydrophobicContact CB-CG2 3.85Å; A163-I189 HydrophobicContact CB-CD1 4.26Å; L185-I189 HydrophobicContact CB-CB 4.03Å; L185-I189 HydrophobicContact CB-CG2 4.05Å; L185-I189 HydrophobicContact CD2-CG2 4.18Å; L185-I189 HydrophobicContact CG-CG2 4.49Å; L185-I189 WeakPolarHBondContact O-CB 3.37Å; L185-I189 WeakPolarHBondContact O-CG1 3.21Å; G186-I189 PolarHBondContact O-N 3.25Å; I189-A191 VanDerWaalsContact C-N 3.29Å; I189-A191 PolarHBondContact O-N 3.25Å; I189-M192 HydrophobicContact CD1-CE 3.28Å; I189-M192 HydrophobicContact CG1-CE 4.47Å; I189-M192 CarbonylContact O-C 3.57Å; I189-M192 WeakPolarHBondContact O-CA 3.33Å; I189-M192 WeakPolarHBondContact O-CB 3.22Å; I189-M192 PolarHBondContact O-N 3Å; I189-L193 HydrophobicContact CG2-CD1 3.99Å; I189-L193 HydrophobicContact CG2-CG 4.21Å; I189-L193 PolarHBondContact O-N 2.84Å
190A95.7Very high95.2Very high0 Ų033.3 Ų33.30%019%0.194CC..Hα-helixtrans-56-43.7177.200000112.3G186 D187 M192 L193 A194 L213 S217 F221G186-A190 PolarHBondContact O-N 3.36Å; G186-A190 VanDerWaalsContact O-N 3.1Å; D187-A190 WeakPolarHBondContact O-CB 3.2Å; D187-A190 PolarHBondContact O-N 3.37Å; A190-M192 VanDerWaalsContact C-N 3.32Å; A190-M192 PolarHBondContact O-N 2.93Å; A190-L193 CarbonylContact O-C 3.17Å; A190-L193 PolarHBondContact O-N 3.28Å; A190-A194 PolarHBondContact O-N 3.15Å; A190-L213 HydrophobicContact CB-CD2 3.27Å; A190-S217 VanDerWaalsContact CB-CB 3.5Å; A190-F221 HydrophobicContact CB-CE2 4.15Å
191A95.7Very high94.7Very high33 Ų3343.8 Ų43.827%0.27323%0.233SC..Hα-helixtrans-62-38.6174.700000112.5D187 I189 A194 V195 V220D187-A191 PolarHBondContact O-N 3.1Å; I189-A191 VanDerWaalsContact C-N 3.29Å; I189-A191 PolarHBondContact O-N 3.25Å; A191-A194 PolarHBondContact O-N 3.31Å; A191-V195 WeakPolarHBondContact O-CG2 3.36Å; A191-V195 PolarHBondContact O-N 3Å; A191-V195 VanDerWaalsContact O-N 3.17Å; A191-V220 HydrophobicContact CB-CG1 4.3Å
192M96.9Very high94.5Very high65 Ų6544 Ų4432%0.3224%0.236SC..Hα-helixtrans-68.9-36.6174.5-71.3-172-76.200112.5A163 Q188 I189 A190 V195 A196A163-M192 HydrophobicContact CB-CE 3.55Å; A163-M192 HydrophobicContact CB-SD 3.91Å; Q188-M192 HydrophobicContact CG-CE 4.38Å; Q188-M192 PolarHBondContact O-N 3.19Å; I189-M192 HydrophobicContact CD1-CE 3.28Å; I189-M192 HydrophobicContact CG1-CE 4.47Å; I189-M192 CarbonylContact O-C 3.57Å; I189-M192 WeakPolarHBondContact O-CA 3.33Å; I189-M192 WeakPolarHBondContact O-CB 3.22Å; I189-M192 PolarHBondContact O-N 3Å; A190-M192 VanDerWaalsContact C-N 3.32Å; A190-M192 PolarHBondContact O-N 2.93Å; M192-V195 PolarHBondContact O-N 3.43Å; M192-A196 WeakPolarHBondContact O-CB 3.5Å; M192-A196 PolarHBondContact O-N 2.9Å
193L96.6Very high94.4Very high2 Ų239.9 Ų39.91%0.0122%0.22CC..Hα-helixtrans-66.2-39.1173.2-73.1171.4000111.4S166 L180 L185 I189 A190 V195 A196 V197 L208 F221S166-L193 WeakPolarHBondContact OG-CD2 3.15Å; L180-L193 HydrophobicContact CD1-CD1 3.75Å; L180-L193 HydrophobicContact CD1-CD2 4.2Å; L185-L193 HydrophobicContact CD1-CD1 3.92Å; I189-L193 HydrophobicContact CG2-CD1 3.99Å; I189-L193 HydrophobicContact CG2-CG 4.21Å; I189-L193 PolarHBondContact O-N 2.84Å; A190-L193 CarbonylContact O-C 3.17Å; A190-L193 PolarHBondContact O-N 3.28Å; L193-V195 VanDerWaalsContact C-N 3.34Å; L193-V195 PolarHBondContact O-N 3.26Å; L193-A196 CarbonylContact O-C 3.14Å; L193-A196 WeakPolarHBondContact O-CA 3.13Å; L193-A196 WeakPolarHBondContact O-CB 3.45Å; L193-A196 PolarHBondContact O-N 3.36Å; L193-A196 VanDerWaalsContact O-N 3.1Å; L193-V197 WeakPolarHBondContact O-CB 3.38Å; L193-V197 WeakPolarHBondContact O-CG2 3.46Å; L193-V197 PolarHBondContact O-N 3.03Å; L193-L208 HydrophobicContact CD1-CD2 3.94Å; L193-F221 HydrophobicContact CB-CZ 4.34Å
194A95.9Very high94.3Very high2 Ų242.3 Ų42.32%0.01723%0.231CC..Hα-helixtrans-59.2-44.9174.200000111.5A190 A191 A196 V197 A198 V220 F221A190-A194 PolarHBondContact O-N 3.15Å; A191-A194 PolarHBondContact O-N 3.31Å; A194-A196 VanDerWaalsContact C-N 3.31Å; A194-A196 PolarHBondContact O-N 3.34Å; A194-V197 PolarHBondContact O-N 3.42Å; A194-A198 WeakPolarHBondContact O-CB 3.46Å; A194-A198 PolarHBondContact O-N 2.68Å; A194-V220 HydrophobicContact CB-CG1 3.75Å; A194-F221 HydrophobicContact CB-CD1 3.79Å; A194-F221 HydrophobicContact CB-CE1 3.66Å; A194-F221 HydrophobicContact CB-CE2 4.47Å; A194-F221 HydrophobicContact CB-CG 4.25Å; A194-F221 HydrophobicContact CB-CZ 4.01Å
195V94.6Very high94.6Very high98 Ų9840.3 Ų40.359%0.59422%0.217SC*.Hα-helixtrans-62-39.8173.6175.10000111.7A191 M192 L193 A198 S199A191-V195 WeakPolarHBondContact O-CG2 3.36Å; A191-V195 PolarHBondContact O-N 3Å; A191-V195 VanDerWaalsContact O-N 3.17Å; M192-V195 PolarHBondContact O-N 3.43Å; L193-V195 VanDerWaalsContact C-N 3.34Å; L193-V195 PolarHBondContact O-N 3.26Å; V195-A198 PolarHBondContact O-N 2.75Å; V195-S199 PolarHBondContact O-N 3.19Å; V195-S199 VanDerWaalsContact O-N 3.13Å; V195-S199 PolarHBondContact O-OG 3.01Å
196A94.4Very high94.7Very high2 Ų240.1 Ų40.12%0.01722%0.216CC..Hα-helixtrans-64.8-42.517700000112.3S166 V169 A170 M192 L193 A194 S199 S200S166-A196 WeakPolarHBondContact O-CB 3.43Å; V169-A196 HydrophobicContact CB-CB 4.44Å; V169-A196 HydrophobicContact CG1-CB 4.33Å; A170-A196 HydrophobicContact CB-CB 3.75Å; M192-A196 WeakPolarHBondContact O-CB 3.5Å; M192-A196 PolarHBondContact O-N 2.9Å; L193-A196 CarbonylContact O-C 3.14Å; L193-A196 WeakPolarHBondContact O-CA 3.13Å; L193-A196 WeakPolarHBondContact O-CB 3.45Å; L193-A196 PolarHBondContact O-N 3.36Å; L193-A196 VanDerWaalsContact O-N 3.1Å; A194-A196 VanDerWaalsContact C-N 3.31Å; A194-A196 PolarHBondContact O-N 3.34Å; A196-S199 PolarHBondContact O-N 3.03Å; A196-S200 WeakPolarHBondContact O-CB 3.35Å; A196-S200 PolarHBondContact O-N 3.32Å
197V93.9Very high94.8Very high1 Ų140.3 Ų40.31%0.00621%0.211CC..Hα-helixtrans-64.4-43.3176.9173.60000110.8L193 A194 S199 S200 L203 L206 F221 M224 L232L193-V197 WeakPolarHBondContact O-CB 3.38Å; L193-V197 WeakPolarHBondContact O-CG2 3.46Å; L193-V197 PolarHBondContact O-N 3.03Å; A194-V197 PolarHBondContact O-N 3.42Å; V197-S199 PolarHBondContact O-N 3.29Å; V197-S200 PolarHBondContact O-N 3.16Å; V197-L203 HydrophobicContact CG2-CD2 3.83Å; V197-L206 HydrophobicContact CG2-CD2 3.61Å; V197-F221 HydrophobicContact CG2-CE1 4.49Å; V197-M224 HydrophobicContact CB-CE 4.12Å; V197-M224 HydrophobicContact CG1-CE 3.63Å; V197-M224 HydrophobicContact CG1-SD 4.22Å; V197-L232 HydrophobicContact CG1-CB 3.95Å; V197-L232 HydrophobicContact CG1-CD1 4.27Å; V197-L232 HydrophobicContact CG1-CD2 3.82Å; V197-L232 HydrophobicContact CG1-CG 4.23Å
198A92.3Very high94.9Very high24 Ų2438.6 Ų38.620%0.19820%0.202CC..Hα-helixtrans-61-31.4175.200000112.8A194 V195 M224 Y228A194-A198 WeakPolarHBondContact O-CB 3.46Å; A194-A198 PolarHBondContact O-N 2.68Å; V195-A198 PolarHBondContact O-N 2.75Å; A198-M224 HydrophobicContact CB-CG 3.62Å; A198-M224 HydrophobicContact CB-SD 4.09Å; A198-Y228 HydrophobicContact CB-CG 4.47Å
199S91.8Very high95Very high68 Ų6834 Ų3448%0.47618%0.181SC..Hα-helixtrans-84.9-26.8179.2-56.70000112.6V195 A196 V197V195-S199 PolarHBondContact O-N 3.19Å; V195-S199 VanDerWaalsContact O-N 3.13Å; V195-S199 PolarHBondContact O-OG 3.01Å; A196-S199 PolarHBondContact O-N 3.03Å; V197-S199 PolarHBondContact O-N 3.29Å
200S90.4Very high95Very high5 Ų535 Ų354%0.03519%0.191CC..  trans-71.8137.4-179.3-1730000111.2A196 V197 T202 L203A196-S200 WeakPolarHBondContact O-CB 3.35Å; A196-S200 PolarHBondContact O-N 3.32Å; V197-S200 PolarHBondContact O-N 3.16Å; S200-T202 PolarHBondContact OG-N 3.45Å; S200-L203 WeakPolarHBondContact OG-CB 3.48Å; S200-L203 PolarHBondContact OG-N 3.32Å
201R88.2Confident95Very high220 Ų22035 Ų3583%0.8319%0.191SC*.SBendtrans-105.88.6176.2-59.2-175.5-175.3156.72113.3C231R201-C231 VanDerWaalsContact C-SG 3.57Å; R201-C231 PolarHBondContact O-SG 3.17Å
202T92.1Very high95Very high30 Ų3035.8 Ų35.818%0.18420%0.202CC..SBendtrans-134.6-20-176.159.20000114.2S173 L175 R176 S200 E204S173-T202 WeakPolarHBondContact O-CG2 3.27Å; L175-T202 CarbonylContact O-C 3.51Å; L175-T202 WeakPolarHBondContact O-CB 3.31Å; L175-T202 PolarHBondContact O-OG1 3.4Å; R176-T202 WeakPolarHBondContact CA-O 3.44Å; R176-T202 WeakPolarHBondContact CG-O 3.29Å; S200-T202 PolarHBondContact OG-N 3.45Å; T202-E204 PolarHBondContact O-N 3.33Å
203L95.2Very high94.9Very high2 Ų232.7 Ų32.71%0.0119%0.187CC..  trans-71.8116.9-176.7-167.868.4000110V169 L175 L178 V197 S200 C231 L232V169-L203 HydrophobicContact CG1-CD2 4.24Å; L175-L203 HydrophobicContact CD2-CD1 4.27Å; L175-L203 HydrophobicContact CG-CD1 4.15Å; L175-L203 WeakPolarHBondContact O-CA 3.26Å; L175-L203 PolarHBondContact O-N 2.96Å; L178-L203 HydrophobicContact CB-CD1 3.79Å; V197-L203 HydrophobicContact CG2-CD2 3.83Å; S200-L203 WeakPolarHBondContact OG-CB 3.48Å; S200-L203 PolarHBondContact OG-N 3.32Å; L203-C231 CarbonylContact O-C 3.48Å; L203-L232 WeakPolarHBondContact O-CA 3.32Å; L203-L232 PolarHBondContact O-N 3.15Å; L203-L232 VanDerWaalsContact O-N 3.13Å
204E96Very high94.9Very high51 Ų5134.5 Ų34.524%0.23820%0.198CC..  trans-106.1-32.1-175.7-67.6172.8-14500111.5R176 T202 C231 R233 V234R176-E204 WeakPolarHBondContact CD-OE1 3.3Å; R176-E204 IonicContact CZ-OE1 2.65Å; R176-E204 IonicContact NE-OE1 3Å; R176-E204 IonicContact NH1-OE1 3.23Å; R176-E204 PolarHBondContact NH1-OE1 3.1Å; R176-E204 PolarHBondContact O-N 3.32Å; T202-E204 PolarHBondContact O-N 3.33Å; E204-C231 WeakPolarHBondContact CA-O 3.49Å; E204-R233 PolarHBondContact O-N 3.45Å; E204-V234 PolarHBondContact O-N 3.05Å
205V97.6Very high94.9Very high38 Ų3838 Ų3823%0.2322%0.217CC..EExtended strand (participates in β ladder)trans-131.9126.8-176.3-178.10000109.6R176 V177 L178 V234R176-V205 PolarHBondContact O-N 3.22Å; V177-V205 WeakPolarHBondContact CA-O 3.32Å; V177-V205 HydrophobicContact CB-CB 4.37Å; V177-V205 HydrophobicContact CG1-CB 4.1Å; V177-V205 HydrophobicContact CG1-CG1 4.17Å; V177-V205 HydrophobicContact CG2-CB 4.12Å; V177-V205 HydrophobicContact CG2-CG2 4.25Å; L178-V205 PolarHBondContact N-O 2.93Å; V205-V234 WeakPolarHBondContact CA-O 3.49Å; V205-V234 HydrophobicContact CB-CB 4.45Å; V205-V234 HydrophobicContact CG1-CB 4.14Å; V205-V234 HydrophobicContact CG1-CG1 4.31Å; V205-V234 HydrophobicContact CG2-CB 4.14Å; V205-V234 HydrophobicContact CG2-CG2 4.35Å
206L97.9Very high94.9Very high1 Ų139.9 Ų39.91%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-128.2120.9172.8178.558.9000109.6L178 L180 V197 L208 F221 L232 V234 L235 V236L178-L206 HydrophobicContact CB-CD1 4.1Å; L178-L206 HydrophobicContact CD2-CD1 3.96Å; L178-L206 HydrophobicContact CG-CD1 3.96Å; L178-L206 WeakPolarHBondContact O-CA 3.47Å; L180-L206 HydrophobicContact CD1-CD1 4.49Å; V197-L206 HydrophobicContact CG2-CD2 3.61Å; L206-L208 HydrophobicContact CD1-CD2 3.97Å; L206-L208 HydrophobicContact CD1-CG 4.31Å; L206-L208 HydrophobicContact CD2-CD1 4Å; L206-L208 HydrophobicContact CD2-CD2 4.39Å; L206-L208 HydrophobicContact CD2-CG 4.2Å; L206-L208 HydrophobicContact CG-CD1 4.28Å; L206-L208 HydrophobicContact CG-CD2 4.14Å; L206-L208 HydrophobicContact CG-CG 3.93Å; L206-F221 HydrophobicContact CD2-CE1 4.12Å; L206-F221 HydrophobicContact CD2-CZ 4.28Å; L206-L232 HydrophobicContact CB-CD1 3.84Å; L206-V234 PolarHBondContact N-O 3.21Å; L206-L235 HydrophobicContact CB-CD1 3.97Å; L206-L235 HydrophobicContact CD2-CD1 3.85Å; L206-L235 HydrophobicContact CG-CD1 3.91Å; L206-L235 WeakPolarHBondContact O-CA 3.49Å; L206-V236 PolarHBondContact O-N 3.31Å
207D98.2Very high94.9Very high28 Ų2839.8 Ų39.815%0.1522%0.218CC..EExtended strand (participates in β ladder)trans-104.5119174.5-161.6-26.1000110.9L178 N179 L180 E209 V236L178-D207 PolarHBondContact O-N 3.37Å; N179-D207 HydrophobicContact CB-CB 4.19Å; L180-D207 PolarHBondContact N-O 2.87Å; D207-E209 VanDerWaalsContact OD1-CB 3.26Å; D207-E209 WeakPolarHBondContact OD1-CB 3.41Å; D207-E209 PolarHBondContact OD1-N 3.15Å; D207-V236 HydrophobicContact CB-CB 4.33Å; D207-V236 HydrophobicContact CB-CG2 4.48Å; D207-V236 WeakPolarHBondContact OD1-CB 3.47Å
208L97.6Very high95Very high0 Ų039.8 Ų39.80%022%0.218CC..  trans-123.424.7177.1-57177.1000111.6L180 L185 L193 L206 G210 T211 L213 F221 L235 V236 L237 N240L180-L208 HydrophobicContact CB-CD2 4.13Å; L180-L208 HydrophobicContact CD1-CD2 4.17Å; L185-L208 HydrophobicContact CD1-CD2 3.82Å; L193-L208 HydrophobicContact CD1-CD2 3.94Å; L206-L208 HydrophobicContact CD1-CD2 3.97Å; L206-L208 HydrophobicContact CD1-CG 4.31Å; L206-L208 HydrophobicContact CD2-CD1 4Å; L206-L208 HydrophobicContact CD2-CD2 4.39Å; L206-L208 HydrophobicContact CD2-CG 4.2Å; L206-L208 HydrophobicContact CG-CD1 4.28Å; L206-L208 HydrophobicContact CG-CD2 4.14Å; L206-L208 HydrophobicContact CG-CG 3.93Å; L208-G210 PolarHBondContact O-N 3Å; L208-T211 HydrophobicContact CB-CG2 4.33Å; L208-T211 WeakPolarHBondContact O-CB 3.49Å; L208-T211 WeakPolarHBondContact O-CG2 3.49Å; L208-T211 PolarHBondContact O-N 3.26Å; L208-T211 PolarHBondContact O-OG1 3.07Å; L208-L213 HydrophobicContact CB-CD1 3.78Å; L208-L213 HydrophobicContact CD1-CD1 3.87Å; L208-L213 HydrophobicContact CG-CD1 4.45Å; L208-F221 HydrophobicContact CD1-CE1 4.46Å; L208-F221 HydrophobicContact CD1-CE2 3.64Å; L208-F221 HydrophobicContact CD1-CZ 3.51Å; L208-L235 HydrophobicContact CD1-CD1 4.08Å; L208-L235 HydrophobicContact CG-CD1 4.44Å; L208-V236 CarbonylContact C-O 3.16Å; L208-V236 WeakPolarHBondContact CA-O 3.18Å; L208-V236 PolarHBondContact N-O 2.79Å; L208-L237 HydrophobicContact CB-CD2 4.27Å; L208-L237 HydrophobicContact CD1-CD2 4.29Å; L208-N240 PolarHBondContact O-ND2 3.43Å
209E97.2Very high95.1Very high45 Ų4542.5 Ų42.521%0.2123%0.227CC..THydrogen-bonded Turntrans-54.6131.6177.7177.6167.3-157.200111.6D181 Y182 D207 T211 V236 A238 E239D181-E209 CarbonylContact C-O 3.56Å; D181-E209 WeakPolarHBondContact CA-O 3.41Å; D181-E209 HydrophobicContact CB-CB 3.93Å; D181-E209 WeakPolarHBondContact CB-O 3.41Å; Y182-E209 PolarHBondContact N-O 2.87Å; D207-E209 VanDerWaalsContact OD1-CB 3.26Å; D207-E209 WeakPolarHBondContact OD1-CB 3.41Å; D207-E209 PolarHBondContact OD1-N 3.15Å; E209-T211 VanDerWaalsContact C-N 3.3Å; E209-T211 PolarHBondContact O-N 2.67Å; E209-V236 HydrophobicContact CB-CG1 4.14Å; E209-A238 CarbonylContact C-O 3.59Å; E209-A238 VanDerWaalsContact CA-O 3.23Å; E209-A238 WeakPolarHBondContact CA-O 3.29Å; E209-A238 HydrophobicContact CG-CB 4.03Å; E209-E239 HydrophobicContact CG-CB 3.99Å; E209-E239 HydrophobicContact CG-CG 4.13Å; E209-E239 WeakPolarHBondContact OE1-CG 3.45Å
210G96.1Very high95.4Very high20 Ų2041.7 Ų41.721%0.20622%0.219CC..THydrogen-bonded Turntrans60.832.9174.800000115L208 A238 E239L208-G210 PolarHBondContact O-N 3Å; G210-A238 PolarHBondContact N-O 3.5Å; G210-E239 WeakPolarHBondContact CA-O 3.25Å
211T96.7Very high95.6Very high1 Ų141.4 Ų41.41%0.00622%0.217CC..SBendtrans-997.5-176.459.20000115.3L180 N183 L185 G186 L208 E209 L213 N240L180-T211 VanDerWaalsContact O-CG2 3.26Å; L180-T211 WeakPolarHBondContact O-CG2 3.44Å; N183-T211 CarbonylContact O-C 3.52Å; N183-T211 WeakPolarHBondContact O-CA 3.45Å; N183-T211 WeakPolarHBondContact O-CB 3.35Å; N183-T211 WeakPolarHBondContact O-CG2 3.41Å; L185-T211 HydrophobicContact CD1-CG2 3.8Å; L185-T211 HydrophobicContact CG-CG2 4.06Å; L185-T211 PolarHBondContact N-O 3.02Å; L185-T211 VanDerWaalsContact N-O 3.12Å; G186-T211 PolarHBondContact N-O 2.7Å; G186-T211 VanDerWaalsContact N-O 3.1Å; L208-T211 HydrophobicContact CB-CG2 4.33Å; L208-T211 WeakPolarHBondContact O-CB 3.49Å; L208-T211 WeakPolarHBondContact O-CG2 3.49Å; L208-T211 PolarHBondContact O-N 3.26Å; L208-T211 PolarHBondContact O-OG1 3.07Å; E209-T211 VanDerWaalsContact C-N 3.3Å; E209-T211 PolarHBondContact O-N 2.67Å; T211-L213 WeakPolarHBondContact OG1-CD1 3.3Å; T211-L213 VanDerWaalsContact OG1-CG 3.27Å; T211-L213 WeakPolarHBondContact OG1-CG 3.3Å; T211-N240 PolarHBondContact N-OD1 3.15Å
212G94.8Very high96Very high49 Ų4931.1 Ų31.151%0.50518%0.178SC..  trans76.933.4178.500000113.1N240G212-N240 PolarHBondContact N-OD1 2.79Å
213L96.2Very high96.1Very high0 Ų033 Ų330%019%0.187CC..  trans-82.5146.3177.9-57.3-177.1000111.4A190 L208 T211 S217 L237 N240 E241 V242A190-L213 HydrophobicContact CB-CD2 3.27Å; L208-L213 HydrophobicContact CB-CD1 3.78Å; L208-L213 HydrophobicContact CD1-CD1 3.87Å; L208-L213 HydrophobicContact CG-CD1 4.45Å; T211-L213 WeakPolarHBondContact OG1-CD1 3.3Å; T211-L213 VanDerWaalsContact OG1-CG 3.27Å; T211-L213 WeakPolarHBondContact OG1-CG 3.3Å; L213-S217 WeakPolarHBondContact CB-OG 3.46Å; L213-L237 HydrophobicContact CD1-CD2 3.69Å; L213-N240 HydrophobicContact CB-CB 3.91Å; L213-N240 PolarHBondContact N-OD1 2.7Å; L213-N240 WeakPolarHBondContact O-CB 3.42Å; L213-E241 CarbonylContact O-C 3.56Å; L213-E241 WeakPolarHBondContact O-CA 3.37Å; L213-E241 WeakPolarHBondContact O-CB 3.28Å; L213-E241 PolarHBondContact O-N 3.36Å; L213-V242 HydrophobicContact CB-CG2 4.18Å
214T96.6Very high96.1Very high39 Ų3933.2 Ų33.224%0.23919%0.188CC..BIsolated β-bridgetrans-112.7175.7171.178.60000111.3D187 Q216 S217 A218 E241D187-T214 VanDerWaalsContact CG-OG1 3.32Å; D187-T214 PolarHBondContact OD1-N 2.85Å; D187-T214 PolarHBondContact OD1-OG1 3.1Å; D187-T214 WeakPolarHBondContact OD2-CB 3.25Å; D187-T214 WeakPolarHBondContact OD2-CG2 3.41Å; D187-T214 PolarHBondContact OD2-OG1 2.95Å; T214-Q216 PolarHBondContact O-N 3.14Å; T214-Q216 WeakPolarHBondContact OG1-CB 3.48Å; T214-Q216 PolarHBondContact OG1-N 3.18Å; T214-Q216 VanDerWaalsContact OG1-N 3.14Å; T214-S217 PolarHBondContact N-OG 3.07Å; T214-S217 PolarHBondContact O-N 3.34Å; T214-S217 VanDerWaalsContact O-N 3.13Å; T214-S217 PolarHBondContact O-OG 2.95Å; T214-A218 PolarHBondContact O-N 2.85Å; T214-E241 CarbonylContact C-O 3.47Å; T214-E241 WeakPolarHBondContact CA-O 3.35Å; T214-E241 HydrophobicContact CG2-CB 4.45Å
215N95.6Very high95.9Very high76 Ų7631.9 Ų31.941%0.40618%0.184SC..Hα-helixtrans-51.8-25.4170.3-71.4-33.1000113.9Q219 E241 V242 S243 L246N215-Q219 WeakPolarHBondContact O-CB 3.49Å; N215-Q219 PolarHBondContact O-N 3.34Å; N215-E241 PolarHBondContact N-O 3.38Å; N215-V242 WeakPolarHBondContact OD1-CA 3.24Å; N215-S243 PolarHBondContact OD1-N 3.41Å; N215-L246 HydrophobicContact CB-CD2 4.38Å
216Q95.1Very high95.7Very high137 Ų13734.7 Ų34.764%0.6419%0.194SC*.Hα-helixtrans-63.4-48.3177.5-176.4178.1-3.300111.7T214 Q219 V220T214-Q216 PolarHBondContact O-N 3.14Å; T214-Q216 WeakPolarHBondContact OG1-CB 3.48Å; T214-Q216 PolarHBondContact OG1-N 3.18Å; T214-Q216 VanDerWaalsContact OG1-N 3.14Å; Q216-Q219 PolarHBondContact O-N 3.16Å; Q216-V220 WeakPolarHBondContact O-CG2 3.32Å; Q216-V220 PolarHBondContact O-N 2.7Å
217S94.3Very high95.4Very high1 Ų140 Ų401%0.00722%0.223CC..Hα-helixtrans-72.3-36179.2480000112D187 A190 L213 T214 Q219 V220 F221D187-S217 WeakPolarHBondContact OD1-CB 3.36Å; D187-S217 PolarHBondContact OD1-OG 3.27Å; A190-S217 VanDerWaalsContact CB-CB 3.5Å; L213-S217 WeakPolarHBondContact CB-OG 3.46Å; T214-S217 PolarHBondContact N-OG 3.07Å; T214-S217 PolarHBondContact O-N 3.34Å; T214-S217 VanDerWaalsContact O-N 3.13Å; T214-S217 PolarHBondContact O-OG 2.95Å; S217-Q219 VanDerWaalsContact C-N 3.31Å; S217-Q219 PolarHBondContact O-N 3.1Å; S217-V220 WeakPolarHBondContact O-CB 3.35Å; S217-V220 PolarHBondContact O-N 3.21Å; S217-V220 VanDerWaalsContact O-N 3.1Å; S217-F221 VanDerWaalsContact O-CD2 3.27Å; S217-F221 WeakPolarHBondContact O-CD2 3.46Å; S217-F221 PolarHBondContact O-N 3.24Å
218A94.3Very high95.1Very high0 Ų045.5 Ų45.50%024%0.242CC..Hα-helixtrans-61-39173.300000112.1T214 V220 F221 L222 L237 V242 L246 I250T214-A218 PolarHBondContact O-N 2.85Å; A218-V220 VanDerWaalsContact C-N 3.31Å; A218-V220 PolarHBondContact O-N 3.48Å; A218-F221 PolarHBondContact O-N 3Å; A218-L222 PolarHBondContact O-N 3.02Å; A218-L237 HydrophobicContact CB-CD1 4.27Å; A218-V242 HydrophobicContact CB-CB 4.32Å; A218-V242 HydrophobicContact CB-CG1 3.36Å; A218-V242 HydrophobicContact CB-CG2 3.92Å; A218-L246 HydrophobicContact CB-CD2 3.39Å; A218-L246 HydrophobicContact CB-CG 3.89Å; A218-I250 HydrophobicContact CB-CD1 4.35Å; A218-I250 WeakPolarHBondContact O-CD1 3.02Å
219Q96.2Very high94.5Very high81 Ų8151.3 Ų51.338%0.37928%0.28SS..Hα-helixtrans-62.8-38.7172.9-171.463.150.100111.8N215 Q216 S217 F221 L222 D223N215-Q219 WeakPolarHBondContact O-CB 3.49Å; N215-Q219 PolarHBondContact O-N 3.34Å; Q216-Q219 PolarHBondContact O-N 3.16Å; S217-Q219 VanDerWaalsContact C-N 3.31Å; S217-Q219 PolarHBondContact O-N 3.1Å; Q219-F221 VanDerWaalsContact C-N 3.33Å; Q219-F221 PolarHBondContact O-N 3.47Å; Q219-L222 WeakPolarHBondContact O-CB 3.19Å; Q219-L222 PolarHBondContact O-N 3.09Å; Q219-D223 PolarHBondContact NE2-OD1 3.48Å; Q219-D223 WeakPolarHBondContact O-CB 3.44Å; Q219-D223 PolarHBondContact O-N 2.74Å
220V96.5Very high94.1Very high51 Ų5151 Ų5131%0.30928%0.282SS..Hα-helixtrans-63.6-39.5175.2175.10000111.4A191 A194 Q216 S217 A218 M224A191-V220 HydrophobicContact CB-CG1 4.3Å; A194-V220 HydrophobicContact CB-CG1 3.75Å; Q216-V220 WeakPolarHBondContact O-CG2 3.32Å; Q216-V220 PolarHBondContact O-N 2.7Å; S217-V220 WeakPolarHBondContact O-CB 3.35Å; S217-V220 PolarHBondContact O-N 3.21Å; S217-V220 VanDerWaalsContact O-N 3.1Å; A218-V220 VanDerWaalsContact C-N 3.31Å; A218-V220 PolarHBondContact O-N 3.48Å; V220-M224 VanDerWaalsContact O-CB 3.24Å; V220-M224 WeakPolarHBondContact O-CB 3.41Å; V220-M224 PolarHBondContact O-N 2.85Å
221F95.9Very high93.9Very high0 Ų052.8 Ų52.80%029%0.29CS..Hα-helixtrans-67-39.4173.4-80.6-72.4000112.2A190 L193 A194 V197 L206 L208 S217 A218 Q219 M224 V225 L235 I250A190-F221 HydrophobicContact CB-CE2 4.15Å; L193-F221 HydrophobicContact CB-CZ 4.34Å; A194-F221 HydrophobicContact CB-CD1 3.79Å; A194-F221 HydrophobicContact CB-CE1 3.66Å; A194-F221 HydrophobicContact CB-CE2 4.47Å; A194-F221 HydrophobicContact CB-CG 4.25Å; A194-F221 HydrophobicContact CB-CZ 4.01Å; V197-F221 HydrophobicContact CG2-CE1 4.49Å; L206-F221 HydrophobicContact CD2-CE1 4.12Å; L206-F221 HydrophobicContact CD2-CZ 4.28Å; L208-F221 HydrophobicContact CD1-CE1 4.46Å; L208-F221 HydrophobicContact CD1-CE2 3.64Å; L208-F221 HydrophobicContact CD1-CZ 3.51Å; S217-F221 VanDerWaalsContact O-CD2 3.27Å; S217-F221 WeakPolarHBondContact O-CD2 3.46Å; S217-F221 PolarHBondContact O-N 3.24Å; A218-F221 PolarHBondContact O-N 3Å; Q219-F221 VanDerWaalsContact C-N 3.33Å; Q219-F221 PolarHBondContact O-N 3.47Å; F221-M224 HydrophobicContact CD1-CE 3.85Å; F221-M224 WeakPolarHBondContact O-CB 3.46Å; F221-M224 PolarHBondContact O-N 3.19Å; F221-V225 VanDerWaalsContact O-CG2 3.32Å; F221-V225 WeakPolarHBondContact O-CG2 3.38Å; F221-V225 PolarHBondContact O-N 3.16Å; F221-L235 HydrophobicContact CB-CD2 3.8Å; F221-L235 HydrophobicContact CD1-CD1 4.48Å; F221-L235 HydrophobicContact CD1-CD2 3.78Å; F221-L235 HydrophobicContact CD2-CD2 4.26Å; F221-L235 HydrophobicContact CE1-CD1 4.35Å; F221-L235 HydrophobicContact CE1-CD2 4.43Å; F221-L235 HydrophobicContact CG-CD2 3.7Å; F221-I250 HydrophobicContact CB-CD1 4.33Å
222L95.3Very high93.8Very high4 Ų453 Ų532%0.02129%0.291CS..Hα-helixtrans-60.7-53.4174.8178.361.4000111.1A218 Q219 M224 V225 E226 L246 Q249 I250 L253A218-L222 PolarHBondContact O-N 3.02Å; Q219-L222 WeakPolarHBondContact O-CB 3.19Å; Q219-L222 PolarHBondContact O-N 3.09Å; L222-M224 PolarHBondContact O-N 3.27Å; L222-V225 PolarHBondContact O-N 2.88Å; L222-V225 VanDerWaalsContact O-N 3.09Å; L222-E226 HydrophobicContact CD1-CG 4.13Å; L222-E226 HydrophobicContact CG-CG 4.49Å; L222-E226 WeakPolarHBondContact O-CG 3.41Å; L222-E226 PolarHBondContact O-N 3.46Å; L222-L246 HydrophobicContact CB-CD1 4.32Å; L222-L246 HydrophobicContact CD2-CD1 3.56Å; L222-L246 HydrophobicContact CG-CD1 4.5Å; L222-Q249 HydrophobicContact CD1-CG 3.95Å; L222-Q249 HydrophobicContact CD2-CG 4.43Å; L222-I250 HydrophobicContact CB-CD1 4.2Å; L222-I250 HydrophobicContact CB-CG1 3.85Å; L222-I250 HydrophobicContact CD1-CG1 3.94Å; L222-I250 HydrophobicContact CG-CG1 4.46Å; L222-L253 HydrophobicContact CD1-CD1 3.45Å; L222-L253 VanDerWaalsContact CD1-CD1 3.45Å
223D94.8Very high93.8Very high68 Ų6856.5 Ų56.536%0.36429%0.289SS..Hα-helixtrans-57-36.5177.3-66.9-6.9000111.1Q219 N227Q219-D223 PolarHBondContact NE2-OD1 3.48Å; Q219-D223 WeakPolarHBondContact O-CB 3.44Å; Q219-D223 PolarHBondContact O-N 2.74Å; D223-N227 VanDerWaalsContact O-CB 3.29Å; D223-N227 WeakPolarHBondContact O-CB 3.17Å; D223-N227 PolarHBondContact O-N 2.87Å; D223-N227 PolarHBondContact O-ND2 3.31Å
224M94.6Very high93.8Very high8 Ų859.8 Ų59.84%0.03931%0.309CS..Hα-helixtrans-64.5-48.7176.7-179.9-83.4-63.300111.9V197 A198 V220 F221 L222 E226 Y228 T230 L232V197-M224 HydrophobicContact CB-CE 4.12Å; V197-M224 HydrophobicContact CG1-CE 3.63Å; V197-M224 HydrophobicContact CG1-SD 4.22Å; A198-M224 HydrophobicContact CB-CG 3.62Å; A198-M224 HydrophobicContact CB-SD 4.09Å; V220-M224 VanDerWaalsContact O-CB 3.24Å; V220-M224 WeakPolarHBondContact O-CB 3.41Å; V220-M224 PolarHBondContact O-N 2.85Å; F221-M224 HydrophobicContact CD1-CE 3.85Å; F221-M224 WeakPolarHBondContact O-CB 3.46Å; F221-M224 PolarHBondContact O-N 3.19Å; L222-M224 PolarHBondContact O-N 3.27Å; M224-E226 VanDerWaalsContact C-N 3.34Å; M224-Y228 WeakPolarHBondContact O-CB 3.41Å; M224-Y228 PolarHBondContact O-N 3.37Å; M224-T230 HydrophobicContact SD-CG2 4.37Å; M224-L232 HydrophobicContact CE-CD2 4.24Å
225V93.5Very high93.8Very high23 Ų2359 Ų5914%0.13930%0.303CS..Hα-helixtrans-66.5-36.8179.91740000111.5F221 L222 L253 L254F221-V225 VanDerWaalsContact O-CG2 3.32Å; F221-V225 WeakPolarHBondContact O-CG2 3.38Å; F221-V225 PolarHBondContact O-N 3.16Å; L222-V225 PolarHBondContact O-N 2.88Å; L222-V225 VanDerWaalsContact O-N 3.09Å; V225-L253 HydrophobicContact CG1-CB 3.85Å; V225-L254 HydrophobicContact CB-CD2 4.47Å; V225-L254 HydrophobicContact CG1-CD2 3.85Å; V225-L254 HydrophobicContact CG1-CG 4.21Å; V225-L254 HydrophobicContact CG2-CD2 3.68Å; V225-L254 HydrophobicContact CG2-CG 4.25Å
226E92.9Very high93.8Very high96 Ų9657.3 Ų57.345%0.44930%0.295SS..Hα-helixtrans-72-37.8179.8-72.4-178.2166.300113.1L222 M224 L253L222-E226 HydrophobicContact CD1-CG 4.13Å; L222-E226 HydrophobicContact CG-CG 4.49Å; L222-E226 WeakPolarHBondContact O-CG 3.41Å; L222-E226 PolarHBondContact O-N 3.46Å; M224-E226 VanDerWaalsContact C-N 3.34Å; E226-L253 HydrophobicContact CG-CD1 3.63Å
227N91.9Very high93.8Very high113 Ų11351.1 Ų51.160%0.60427%0.266SS*.Hα-helixtrans-107.2-12.4-167.4-63-72.9000114.6D223D223-N227 VanDerWaalsContact O-CB 3.29Å; D223-N227 WeakPolarHBondContact O-CB 3.17Å; D223-N227 PolarHBondContact O-N 2.87Å; D223-N227 PolarHBondContact O-ND2 3.31Å
228Y90.2Very high93.8Very high143 Ų14352.7 Ų52.756%0.56128%0.28SS*.SBendtrans-129.6137.8-175.9-60.1-90.1000111.8A198 M224 T230A198-Y228 HydrophobicContact CB-CG 4.47Å; M224-Y228 WeakPolarHBondContact O-CB 3.41Å; M224-Y228 PolarHBondContact O-N 3.37Å; Y228-T230 PolarHBondContact O-N 2.89Å
229P86.1Confident93.8Very high123 Ų12358.8 Ų58.880%0.79931%0.308SS*.  trans-66.4124.9173.828.2-33.2000109.5
230T89.4Confident93.7Very high39 Ų3956 Ų5624%0.23930%0.296CS..  trans-130.4153.7178.5-173.40000110.9M224 Y228 L232M224-T230 HydrophobicContact SD-CG2 4.37Å; Y228-T230 PolarHBondContact O-N 2.89Å; T230-L232 VanDerWaalsContact C-N 3.32Å; T230-L232 HydrophobicContact CG2-CB 4Å; T230-L232 WeakPolarHBondContact OG1-CB 3.47Å; T230-L232 PolarHBondContact OG1-N 3.37Å; T230-L232 VanDerWaalsContact OG1-N 3.12Å
231C91.8Very high93.7Very high56 Ų5660.8 Ų60.838%0.37832%0.315SS..  trans-90.4-1.4168.3-65.20000112.5R201 L203 E204 R233R201-C231 VanDerWaalsContact C-SG 3.57Å; R201-C231 PolarHBondContact O-SG 3.17Å; L203-C231 CarbonylContact O-C 3.48Å; E204-C231 WeakPolarHBondContact CA-O 3.49Å; C231-R233 PolarHBondContact O-N 3.14Å
232L94.4Very high93.6Very high7 Ų761.3 Ų61.34%0.03732%0.318CS..  trans-62.2134.2178.9-167.870.3000109.4V197 L203 L206 M224 T230 L235 L254V197-L232 HydrophobicContact CG1-CB 3.95Å; V197-L232 HydrophobicContact CG1-CD1 4.27Å; V197-L232 HydrophobicContact CG1-CD2 3.82Å; V197-L232 HydrophobicContact CG1-CG 4.23Å; L203-L232 WeakPolarHBondContact O-CA 3.32Å; L203-L232 PolarHBondContact O-N 3.15Å; L203-L232 VanDerWaalsContact O-N 3.13Å; L206-L232 HydrophobicContact CB-CD1 3.84Å; M224-L232 HydrophobicContact CE-CD2 4.24Å; T230-L232 VanDerWaalsContact C-N 3.32Å; T230-L232 HydrophobicContact CG2-CB 4Å; T230-L232 WeakPolarHBondContact OG1-CB 3.47Å; T230-L232 PolarHBondContact OG1-N 3.37Å; T230-L232 VanDerWaalsContact OG1-N 3.12Å; L232-L235 HydrophobicContact CD2-CB 4.02Å; L232-L235 HydrophobicContact CD2-CD1 4.48Å; L232-L254 HydrophobicContact CB-CD2 4.09Å; L232-L254 HydrophobicContact CD2-CD1 4.24Å; L232-L254 HydrophobicContact CD2-CD2 4.12Å; L232-L254 HydrophobicContact CG-CD1 4.48Å; L232-L254 HydrophobicContact CG-CD2 4.14Å; L232-L254 VanDerWaalsContact O-CD2 3.31Å; L232-L254 WeakPolarHBondContact O-CD2 3.36Å
233R94Very high93.6Very high122 Ų12263 Ų6346%0.4633%0.33SS..  trans-124.3-29.3178.4-66.6175.667.4-167.25111.6E204 C231 E258E204-R233 PolarHBondContact O-N 3.45Å; C231-R233 PolarHBondContact O-N 3.14Å; R233-E258 IonicContact CZ-OE1 2.7Å; R233-E258 VanDerWaalsContact CZ-OE1 3.23Å; R233-E258 IonicContact NE-OE1 3.01Å; R233-E258 PolarHBondContact NE-OE1 3.06Å; R233-E258 VanDerWaalsContact NH2-CD 3.32Å; R233-E258 IonicContact NH2-OE1 3.72Å; R233-E258 PolarHBondContact NH2-OE1 2.85Å; R233-E258 IonicContact NH2-OE2 3.05Å
234V96.1Very high93.5Very high68 Ų6863.5 Ų63.541%0.41234%0.339SS..EExtended strand (participates in β ladder)trans-132119.6-179.4-1770000108.9E204 V205 L206 V236E204-V234 PolarHBondContact O-N 3.05Å; V205-V234 WeakPolarHBondContact CA-O 3.49Å; V205-V234 HydrophobicContact CB-CB 4.45Å; V205-V234 HydrophobicContact CG1-CB 4.14Å; V205-V234 HydrophobicContact CG1-CG1 4.31Å; V205-V234 HydrophobicContact CG2-CB 4.14Å; V205-V234 HydrophobicContact CG2-CG2 4.35Å; L206-V234 PolarHBondContact N-O 3.21Å; V234-V236 HydrophobicContact CG1-CG2 4.03Å
235L96.8Very high93.5Very high24 Ų2469.3 Ų69.313%0.12637%0.366CS..EExtended strand (participates in β ladder)trans-119.2114.9168.6-178.665000108.6L206 L208 F221 L232 L237 I250 L254L206-L235 HydrophobicContact CB-CD1 3.97Å; L206-L235 HydrophobicContact CD2-CD1 3.85Å; L206-L235 HydrophobicContact CG-CD1 3.91Å; L206-L235 WeakPolarHBondContact O-CA 3.49Å; L208-L235 HydrophobicContact CD1-CD1 4.08Å; L208-L235 HydrophobicContact CG-CD1 4.44Å; F221-L235 HydrophobicContact CB-CD2 3.8Å; F221-L235 HydrophobicContact CD1-CD1 4.48Å; F221-L235 HydrophobicContact CD1-CD2 3.78Å; F221-L235 HydrophobicContact CD2-CD2 4.26Å; F221-L235 HydrophobicContact CE1-CD1 4.35Å; F221-L235 HydrophobicContact CE1-CD2 4.43Å; F221-L235 HydrophobicContact CG-CD2 3.7Å; L232-L235 HydrophobicContact CD2-CB 4.02Å; L232-L235 HydrophobicContact CD2-CD1 4.48Å; L235-L237 HydrophobicContact CD1-CD2 4.28Å; L235-L237 HydrophobicContact CD2-CD1 3.98Å; L235-L237 HydrophobicContact CD2-CD2 4.09Å; L235-L237 HydrophobicContact CD2-CG 4.07Å; L235-L237 HydrophobicContact CG-CD1 4.38Å; L235-L237 HydrophobicContact CG-CD2 3.99Å; L235-L237 HydrophobicContact CG-CG 3.95Å; L235-I250 HydrophobicContact CD2-CG2 4.03Å; L235-L254 HydrophobicContact CB-CD1 3.81Å
236V96.5Very high93.5Very high39 Ų3969 Ų6924%0.23636%0.363CS..EExtended strand (participates in β ladder)trans-94.6118.5177.5-173.80000108.9L206 D207 L208 E209 V234 A238L206-V236 PolarHBondContact O-N 3.31Å; D207-V236 HydrophobicContact CB-CB 4.33Å; D207-V236 HydrophobicContact CB-CG2 4.48Å; D207-V236 WeakPolarHBondContact OD1-CB 3.47Å; L208-V236 CarbonylContact C-O 3.16Å; L208-V236 WeakPolarHBondContact CA-O 3.18Å; L208-V236 PolarHBondContact N-O 2.79Å; E209-V236 HydrophobicContact CB-CG1 4.14Å; V234-V236 HydrophobicContact CG1-CG2 4.03Å; V236-A238 HydrophobicContact CG1-CB 4.2Å
237L95.3Very high93.5Very high7 Ų767.1 Ų67.14%0.03736%0.355CS..  trans-11913.2179.3-61.8177000112.5L208 L213 A218 L235 N240 Q247 I250L208-L237 HydrophobicContact CB-CD2 4.27Å; L208-L237 HydrophobicContact CD1-CD2 4.29Å; L213-L237 HydrophobicContact CD1-CD2 3.69Å; A218-L237 HydrophobicContact CB-CD1 4.27Å; L235-L237 HydrophobicContact CD1-CD2 4.28Å; L235-L237 HydrophobicContact CD2-CD1 3.98Å; L235-L237 HydrophobicContact CD2-CD2 4.09Å; L235-L237 HydrophobicContact CD2-CG 4.07Å; L235-L237 HydrophobicContact CG-CD1 4.38Å; L235-L237 HydrophobicContact CG-CD2 3.99Å; L235-L237 HydrophobicContact CG-CG 3.95Å; L237-N240 WeakPolarHBondContact O-CB 3.45Å; L237-N240 PolarHBondContact O-ND2 3.05Å; L237-Q247 HydrophobicContact CB-CG 4.06Å; L237-Q247 HydrophobicContact CD1-CG 4.45Å; L237-I250 HydrophobicContact CD1-CD1 3.96Å
238A93.8Very high93.6Very high34 Ų3466.7 Ų66.728%0.28135%0.349SS..THydrogen-bonded Turntrans-56.3159.5179.400000112E209 G210 V236 N240E209-A238 CarbonylContact C-O 3.59Å; E209-A238 VanDerWaalsContact CA-O 3.23Å; E209-A238 WeakPolarHBondContact CA-O 3.29Å; E209-A238 HydrophobicContact CG-CB 4.03Å; G210-A238 PolarHBondContact N-O 3.5Å; V236-A238 HydrophobicContact CG1-CB 4.2Å; A238-N240 PolarHBondContact O-N 2.97Å; A238-N240 PolarHBondContact O-ND2 3.5Å
239E93.8Very high93.8Very high128 Ų12864 Ų6460%0.59834%0.342SS*.THydrogen-bonded Turntrans54.124.3178.5-56.1-167166.900115.4Y182 E209 G210Y182-E239 WeakPolarHBondContact CE1-OE2 3.15Å; Y182-E239 PolarHBondContact OH-OE2 3.27Å; E209-E239 HydrophobicContact CG-CB 3.99Å; E209-E239 HydrophobicContact CG-CG 4.13Å; E209-E239 WeakPolarHBondContact OE1-CG 3.45Å; G210-E239 WeakPolarHBondContact CA-O 3.25Å
240N95.1Very high94.2Very high23 Ų2358.2 Ų58.212%0.12330%0.304CS..SBendtrans-110.7172.3171.3-69.7-68.3000112L208 T211 G212 L213 L237 A238 V242L208-N240 PolarHBondContact O-ND2 3.43Å; T211-N240 PolarHBondContact N-OD1 3.15Å; G212-N240 PolarHBondContact N-OD1 2.79Å; L213-N240 HydrophobicContact CB-CB 3.91Å; L213-N240 PolarHBondContact N-OD1 2.7Å; L213-N240 WeakPolarHBondContact O-CB 3.42Å; L237-N240 WeakPolarHBondContact O-CB 3.45Å; L237-N240 PolarHBondContact O-ND2 3.05Å; A238-N240 PolarHBondContact O-N 2.97Å; A238-N240 PolarHBondContact O-ND2 3.5Å; N240-V242 HydrophobicContact CB-CG2 3.93Å; N240-V242 PolarHBondContact O-N 3.26Å
241E95.4Very high94.3Very high151 Ų15159.3 Ų59.371%0.70631%0.313SS*.BIsolated β-bridgetrans-82.345.3173.1-58.9-176.2176.900111.8L213 T214 N215L213-E241 CarbonylContact O-C 3.56Å; L213-E241 WeakPolarHBondContact O-CA 3.37Å; L213-E241 WeakPolarHBondContact O-CB 3.28Å; L213-E241 PolarHBondContact O-N 3.36Å; T214-E241 CarbonylContact C-O 3.47Å; T214-E241 WeakPolarHBondContact CA-O 3.35Å; T214-E241 HydrophobicContact CG2-CB 4.45Å; N215-E241 PolarHBondContact N-O 3.38Å
242V94.8Very high94.4Very high12 Ų1260 Ų607%0.07331%0.313CS..  trans-110.8132.5-180-176.60000109.5L213 N215 A218 N240 L246 Q247L213-V242 HydrophobicContact CB-CG2 4.18Å; N215-V242 WeakPolarHBondContact OD1-CA 3.24Å; A218-V242 HydrophobicContact CB-CB 4.32Å; A218-V242 HydrophobicContact CB-CG1 3.36Å; A218-V242 HydrophobicContact CB-CG2 3.92Å; N240-V242 HydrophobicContact CB-CG2 3.93Å; N240-V242 PolarHBondContact O-N 3.26Å; V242-L246 HydrophobicContact CG1-CB 4.32Å; V242-L246 HydrophobicContact CG1-CD2 4.34Å; V242-L246 HydrophobicContact CG1-CG 4.48Å; V242-Q247 HydrophobicContact CB-CG 4.17Å; V242-Q247 HydrophobicContact CG1-CG 3.64Å; V242-Q247 PolarHBondContact O-NE2 3.01Å
243S94.9Very high94.3Very high40 Ų4062.3 Ų62.328%0.2833%0.325SS..  trans-64.8144.5178.972.30000112N215 E245 L246 Q247N215-S243 PolarHBondContact OD1-N 3.41Å; S243-E245 WeakPolarHBondContact CB-OE2 3.46Å; S243-E245 PolarHBondContact O-N 3.25Å; S243-L246 PolarHBondContact O-N 3.03Å; S243-L246 VanDerWaalsContact O-N 3.16Å; S243-L246 WeakPolarHBondContact OG-CB 3.24Å; S243-L246 PolarHBondContact OG-N 3.1Å; S243-Q247 WeakPolarHBondContact O-CG 3.38Å; S243-Q247 PolarHBondContact O-N 3.36Å; S243-Q247 VanDerWaalsContact O-N 3.09Å
244S93.1Very high94.1Very high78 Ų7856.9 Ų56.955%0.54531%0.305SS..Hα-helixtrans-59-34.3178.937.10000112.6Q247 Q248S244-Q247 PolarHBondContact O-N 2.83Å; S244-Q248 WeakPolarHBondContact O-CB 3.49Å; S244-Q248 PolarHBondContact O-N 2.89Å
245E93.6Very high93.6Very high130 Ų13056.4 Ų56.461%0.60731%0.305SS*.Hα-helixtrans-63.3-43.9178.4-62.370.3-15000111S243 Q248 Q249S243-E245 WeakPolarHBondContact CB-OE2 3.46Å; S243-E245 PolarHBondContact O-N 3.25Å; E245-Q248 PolarHBondContact O-N 2.66Å; E245-Q249 WeakPolarHBondContact O-CB 3.38Å; E245-Q249 PolarHBondContact O-N 3.09Å
246L93.6Very high92.6Very high15 Ų1561.4 Ų61.48%0.07933%0.328CS..Hα-helixtrans-72.1-38.4-178.5-172.856.5000111.3N215 A218 L222 V242 S243 Q248 Q249 I250N215-L246 HydrophobicContact CB-CD2 4.38Å; A218-L246 HydrophobicContact CB-CD2 3.39Å; A218-L246 HydrophobicContact CB-CG 3.89Å; L222-L246 HydrophobicContact CB-CD1 4.32Å; L222-L246 HydrophobicContact CD2-CD1 3.56Å; L222-L246 HydrophobicContact CG-CD1 4.5Å; V242-L246 HydrophobicContact CG1-CB 4.32Å; V242-L246 HydrophobicContact CG1-CD2 4.34Å; V242-L246 HydrophobicContact CG1-CG 4.48Å; S243-L246 PolarHBondContact O-N 3.03Å; S243-L246 VanDerWaalsContact O-N 3.16Å; S243-L246 WeakPolarHBondContact OG-CB 3.24Å; S243-L246 PolarHBondContact OG-N 3.1Å; L246-Q248 VanDerWaalsContact C-N 3.33Å; L246-Q248 PolarHBondContact O-N 2.7Å; L246-Q249 PolarHBondContact O-N 3.06Å; L246-I250 HydrophobicContact CG-CD1 4.35Å; L246-I250 VanDerWaalsContact O-CG1 3.31Å; L246-I250 WeakPolarHBondContact O-CG1 3.41Å; L246-I250 PolarHBondContact O-N 3.3Å; L246-I250 VanDerWaalsContact O-N 3.12Å
247Q93.1Very high90.8Very high58 Ų5862.2 Ų62.227%0.27134%0.344SS..Hα-helixtrans-60.3-44.6172.5-64-177.326.900111.5L237 V242 S243 S244 I250 S251L237-Q247 HydrophobicContact CB-CG 4.06Å; L237-Q247 HydrophobicContact CD1-CG 4.45Å; V242-Q247 HydrophobicContact CB-CG 4.17Å; V242-Q247 HydrophobicContact CG1-CG 3.64Å; V242-Q247 PolarHBondContact O-NE2 3.01Å; S243-Q247 WeakPolarHBondContact O-CG 3.38Å; S243-Q247 PolarHBondContact O-N 3.36Å; S243-Q247 VanDerWaalsContact O-N 3.09Å; S244-Q247 PolarHBondContact O-N 2.83Å; Q247-I250 PolarHBondContact O-N 3.33Å; Q247-S251 WeakPolarHBondContact O-CB 3.36Å; Q247-S251 PolarHBondContact O-N 3.05Å
248Q93.4Very high88.8Confident104 Ų10465.7 Ų65.749%0.48636%0.36SS..Hα-helixtrans-65.8-44.2179.4-169.362.648.900111.4S244 E245 L246 I250 S251 D252S244-Q248 WeakPolarHBondContact O-CB 3.49Å; S244-Q248 PolarHBondContact O-N 2.89Å; E245-Q248 PolarHBondContact O-N 2.66Å; L246-Q248 VanDerWaalsContact C-N 3.33Å; L246-Q248 PolarHBondContact O-N 2.7Å; Q248-I250 VanDerWaalsContact C-N 3.33Å; Q248-I250 PolarHBondContact O-N 2.78Å; Q248-S251 WeakPolarHBondContact O-CB 3.37Å; Q248-S251 PolarHBondContact O-N 2.78Å; Q248-S251 VanDerWaalsContact O-N 3.13Å; Q248-D252 PolarHBondContact NE2-OD1 2.92Å; Q248-D252 WeakPolarHBondContact O-CB 3.48Å; Q248-D252 PolarHBondContact O-N 3.1Å
249Q94.9Very high86.7Confident86 Ų8671.5 Ų71.540%0.40238%0.381SS..Hα-helixtrans-57.7-44.8177.9-176.1178.6-5.100112.1L222 E245 L246 D252 L253L222-Q249 HydrophobicContact CD1-CG 3.95Å; L222-Q249 HydrophobicContact CD2-CG 4.43Å; E245-Q249 WeakPolarHBondContact O-CB 3.38Å; E245-Q249 PolarHBondContact O-N 3.09Å; L246-Q249 PolarHBondContact O-N 3.06Å; Q249-D252 PolarHBondContact O-N 3.3Å; Q249-L253 WeakPolarHBondContact O-CG 3.29Å; Q249-L253 PolarHBondContact O-N 3.45Å
250I93.8Very high84.5Confident2 Ų272.9 Ų72.91%0.0139%0.393CS..Hα-helixtrans-64.8-44176.4-63.2164.5000110.4A218 F221 L222 L235 L237 L246 Q247 Q248 D252 L253 L254A218-I250 HydrophobicContact CB-CD1 4.35Å; A218-I250 WeakPolarHBondContact O-CD1 3.02Å; F221-I250 HydrophobicContact CB-CD1 4.33Å; L222-I250 HydrophobicContact CB-CD1 4.2Å; L222-I250 HydrophobicContact CB-CG1 3.85Å; L222-I250 HydrophobicContact CD1-CG1 3.94Å; L222-I250 HydrophobicContact CG-CG1 4.46Å; L235-I250 HydrophobicContact CD2-CG2 4.03Å; L237-I250 HydrophobicContact CD1-CD1 3.96Å; L246-I250 HydrophobicContact CG-CD1 4.35Å; L246-I250 VanDerWaalsContact O-CG1 3.31Å; L246-I250 WeakPolarHBondContact O-CG1 3.41Å; L246-I250 PolarHBondContact O-N 3.3Å; L246-I250 VanDerWaalsContact O-N 3.12Å; Q247-I250 PolarHBondContact O-N 3.33Å; Q248-I250 VanDerWaalsContact C-N 3.33Å; Q248-I250 PolarHBondContact O-N 2.78Å; I250-D252 VanDerWaalsContact C-N 3.32Å; I250-D252 PolarHBondContact O-N 3.44Å; I250-L253 PolarHBondContact O-N 2.89Å; I250-L254 HydrophobicContact CG2-CD1 3.82Å; I250-L254 HydrophobicContact CG2-CG 4.28Å; I250-L254 WeakPolarHBondContact O-CB 3.15Å; I250-L254 VanDerWaalsContact O-CG 3.26Å; I250-L254 WeakPolarHBondContact O-CG 3.43Å; I250-L254 PolarHBondContact O-N 2.85Å
251S93Very high82.2Confident62 Ų6275.1 Ų75.143%0.43442%0.421SS..Hα-helixtrans-61.2-40.2179.1-174.70000112.3Q247 Q248 S255Q247-S251 WeakPolarHBondContact O-CB 3.36Å; Q247-S251 PolarHBondContact O-N 3.05Å; Q248-S251 WeakPolarHBondContact O-CB 3.37Å; Q248-S251 PolarHBondContact O-N 2.78Å; Q248-S251 VanDerWaalsContact O-N 3.13Å; S251-S255 WeakPolarHBondContact O-CB 3.42Å; S251-S255 PolarHBondContact O-N 3.24Å; S251-S255 VanDerWaalsContact O-N 3.11Å; S251-S255 PolarHBondContact O-OG 3.34Å
252D92.6Very high79.7Confident71 Ų7177.6 Ų77.638%0.3842%0.424SS..Hα-helixtrans-65.1-49.4179.6-68.1-17.1000110Q248 Q249 I250 L254 S255 E256Q248-D252 PolarHBondContact NE2-OD1 2.92Å; Q248-D252 WeakPolarHBondContact O-CB 3.48Å; Q248-D252 PolarHBondContact O-N 3.1Å; Q249-D252 PolarHBondContact O-N 3.3Å; I250-D252 VanDerWaalsContact C-N 3.32Å; I250-D252 PolarHBondContact O-N 3.44Å; D252-L254 VanDerWaalsContact C-N 3.34Å; D252-L254 PolarHBondContact O-N 3.1Å; D252-S255 PolarHBondContact O-N 3.41Å; D252-S255 PolarHBondContact O-OG 3.38Å; D252-E256 WeakPolarHBondContact O-CG 3.33Å; D252-E256 PolarHBondContact O-N 3.41Å
253L92.6Very high77Confident54 Ų5486.2 Ų86.228%0.28346%0.464SS..Hα-helixtrans-59.6-40.9177.4-71.9172.3000113.2L222 V225 E226 Q249 I250 S255 E256 G257L222-L253 HydrophobicContact CD1-CD1 3.45Å; L222-L253 VanDerWaalsContact CD1-CD1 3.45Å; V225-L253 HydrophobicContact CG1-CB 3.85Å; E226-L253 HydrophobicContact CG-CD1 3.63Å; Q249-L253 WeakPolarHBondContact O-CG 3.29Å; Q249-L253 PolarHBondContact O-N 3.45Å; I250-L253 PolarHBondContact O-N 2.89Å; L253-S255 PolarHBondContact O-N 2.76Å; L253-E256 PolarHBondContact O-N 2.97Å; L253-G257 PolarHBondContact O-N 3.21Å
254L91Very high74.5Confident9 Ų986.9 Ų86.95%0.04748%0.477CS..Hα-helixtrans-66.1-28.7176.2-69.8173.3000112.3V225 L232 L235 I250 D252V225-L254 HydrophobicContact CB-CD2 4.47Å; V225-L254 HydrophobicContact CG1-CD2 3.85Å; V225-L254 HydrophobicContact CG1-CG 4.21Å; V225-L254 HydrophobicContact CG2-CD2 3.68Å; V225-L254 HydrophobicContact CG2-CG 4.25Å; L232-L254 HydrophobicContact CB-CD2 4.09Å; L232-L254 HydrophobicContact CD2-CD1 4.24Å; L232-L254 HydrophobicContact CD2-CD2 4.12Å; L232-L254 HydrophobicContact CG-CD1 4.48Å; L232-L254 HydrophobicContact CG-CD2 4.14Å; L232-L254 VanDerWaalsContact O-CD2 3.31Å; L232-L254 WeakPolarHBondContact O-CD2 3.36Å; L235-L254 HydrophobicContact CB-CD1 3.81Å; I250-L254 HydrophobicContact CG2-CD1 3.82Å; I250-L254 HydrophobicContact CG2-CG 4.28Å; I250-L254 WeakPolarHBondContact O-CB 3.15Å; I250-L254 VanDerWaalsContact O-CG 3.26Å; I250-L254 WeakPolarHBondContact O-CG 3.43Å; I250-L254 PolarHBondContact O-N 2.85Å; D252-L254 VanDerWaalsContact C-N 3.34Å; D252-L254 PolarHBondContact O-N 3.1Å
255S85.1Confident72.1Confident58 Ų5889.1 Ų89.141%0.40649%0.489SS..Hα-helixtrans-81.7-32.7177.975.20000113.5S251 D252 L253 G257 E258S251-S255 WeakPolarHBondContact O-CB 3.42Å; S251-S255 PolarHBondContact O-N 3.24Å; S251-S255 VanDerWaalsContact O-N 3.11Å; S251-S255 PolarHBondContact O-OG 3.34Å; D252-S255 PolarHBondContact O-N 3.41Å; D252-S255 PolarHBondContact O-OG 3.38Å; L253-S255 PolarHBondContact O-N 2.76Å; S255-G257 VanDerWaalsContact C-N 3.34Å; S255-G257 PolarHBondContact O-N 3.35Å; S255-E258 WeakPolarHBondContact O-CB 3.3Å; S255-E258 WeakPolarHBondContact O-CG 3.37Å; S255-E258 PolarHBondContact O-N 2.9Å
256E74.9Confident69.4Low128 Ų12888.4 Ų88.460%0.59850%0.496SS*.Hα-helixtrans-67.7-32.9178.7-73.3-179.5169.700112.3D252 L253 E258 E259D252-E256 WeakPolarHBondContact O-CG 3.33Å; D252-E256 PolarHBondContact O-N 3.41Å; L253-E256 PolarHBondContact O-N 2.97Å; E256-E258 PolarHBondContact O-N 3.34Å; E256-E259 PolarHBondContact O-N 3Å; E256-E259 VanDerWaalsContact O-N 3.15Å
257G59.4Low67Low56 Ų5693.2 Ų93.258%0.57753%0.528SS*.THydrogen-bonded Turntrans-60.7-10.2173.500000115L253 S255L253-G257 PolarHBondContact O-N 3.21Å; S255-G257 VanDerWaalsContact C-N 3.34Å; S255-G257 PolarHBondContact O-N 3.35Å
258E53.5Low64.3Low81 Ų8195.8 Ų95.838%0.37955%0.55SS..THydrogen-bonded Turntrans-76.4-22.1175.2-62.8-168.5164.200114.1R233 S255 E256R233-E258 IonicContact CZ-OE1 2.7Å; R233-E258 VanDerWaalsContact CZ-OE1 3.23Å; R233-E258 IonicContact NE-OE1 3.01Å; R233-E258 PolarHBondContact NE-OE1 3.06Å; R233-E258 VanDerWaalsContact NH2-CD 3.32Å; R233-E258 IonicContact NH2-OE1 3.72Å; R233-E258 PolarHBondContact NH2-OE1 2.85Å; R233-E258 IonicContact NH2-OE2 3.05Å; S255-E258 WeakPolarHBondContact O-CB 3.3Å; S255-E258 WeakPolarHBondContact O-CG 3.37Å; S255-E258 PolarHBondContact O-N 2.9Å; E256-E258 PolarHBondContact O-N 3.34Å
259E49.6Very low61.4Low156 Ų15697.5 Ų97.573%0.72957%0.57SS**THydrogen-bonded Turntrans-85.9-35.8-173.9-64-160.7147.600112.9E256 G261E256-E259 PolarHBondContact O-N 3Å; E256-E259 VanDerWaalsContact O-N 3.15Å; E259-G261 VanDerWaalsContact C-N 3.34Å; E259-G261 PolarHBondContact O-N 3.4Å
260D47.7Very low58.8Low157 Ų15796.3 Ų96.384%0.8458%0.581SS**G310 helixtrans-75.4-17.1-179.3-87.6-16.9000114.1R262D260-R262 VanDerWaalsContact C-N 3.28Å; D260-R262 PolarHBondContact O-N 3.28Å
261G45.7Very low56Low69 Ų69105.3 Ų105.371%0.71162%0.623SS**G310 helixtrans-79.72.5179.200000115.7E259E259-G261 VanDerWaalsContact C-N 3.34Å; E259-G261 PolarHBondContact O-N 3.4Å
262R43.8Very low53Low203 Ų203106.7 Ų106.777%0.76664%0.638SS**G310 helixtrans-94.75.5-173.4-69.6-170.9-177.2175.55.8115.8D260 G264D260-R262 VanDerWaalsContact C-N 3.28Å; D260-R262 PolarHBondContact O-N 3.28Å; R262-G264 VanDerWaalsContact C-N 3.29Å; R262-G264 PolarHBondContact O-N 3.25Å
263E36.9Very low50Low194 Ų194109.7 Ų109.791%0.90766%0.661SS**  trans-88.864.2168.8-74.2-165.2156.400111.8
264G44.1Very low47Very low54 Ų54112.8 Ų112.856%0.55769%0.687SS**PPolyproline II helixtrans-78.1148157.900000110.2R262R262-G264 VanDerWaalsContact C-N 3.29Å; R262-G264 PolarHBondContact O-N 3.25Å
265P41.8Very low44.1Very low124 Ų124117.1 Ų117.181%0.80572%0.718SS**PPolyproline II helixtrans-56.5145.7177.423.6-32.3000110.7
266P37.6Very low41.5Very low116 Ų116118.8 Ų118.875%0.75374%0.736SS**PPolyproline II helixtrans-56.9141.4-171.422.6-33.1000111
267P42Very low39.2Very low116 Ų116120.7 Ų120.775%0.75375%0.749SS**PPolyproline II helixtrans-61.4143.2-179.125.3-32.8000110.1
268P37.9Very low37.7Very low111 Ų111126.3 Ų126.372%0.72176%0.76SS**PPolyproline II helixtrans-59.8140.617524.6-32.2000109.7G270P268-G270 PolarHBondContact O-N 3.34Å; P268-G270 VanDerWaalsContact O-N 3.08Å
269P31.8Very low36.5Very low140 Ų140128.1 Ų128.191%0.90978%0.779SS**THydrogen-bonded Turntrans-68.2112.2-176.427.2-31.9000109.1
270G40.4Very low35.5Very low62 Ų62128 Ų12864%0.63978%0.782SS**THydrogen-bonded Turntrans163-5.917300000120.1P268P268-G270 PolarHBondContact O-N 3.34Å; P268-G270 VanDerWaalsContact O-N 3.08Å
271H33.7Very low34.6Very low191 Ų191132.1 Ų132.188%0.88479%0.786SS**  trans-125.8116.2179.9-70.2-47.2000112.8
272A30.3Very low33.9Very low91 Ų91137.1 Ų137.175%0.75279%0.79SS**  trans-63.2150.6176.200000111.6S274A272-S274 PolarHBondContact O-N 3.47Å
273P29.5Very low33.3Very low134 Ų134136.5 Ų136.587%0.8779%0.793SS**  trans-76.1120.1-174.830.7-31.7000110.5S275P273-S275 PolarHBondContact O-N 2.91Å
274S30.8Very low33Very low119 Ų119133.1 Ų133.183%0.83279%0.788SS**  trans-81.6105.3166.6-178.10000109A272 A276A272-S274 PolarHBondContact O-N 3.47Å; S274-A276 PolarHBondContact O-N 3.27Å
275S30.1Very low32.5Very low100 Ų100138.3 Ų138.370%0.69980%0.802SS**  trans-0.2108.1156.1166.50000115.6P273 L277P273-S275 PolarHBondContact O-N 2.91Å; S275-L277 PolarHBondContact O-N 2.92Å
276A29.1Very low31.8Very low93 Ų93137.8 Ų137.877%0.76980%0.799SS**  trans-57.9118170.400000111.3S274 Q278S274-A276 PolarHBondContact O-N 3.27Å; A276-Q278 PolarHBondContact O-N 3.21Å
277L27Very low31.6Very low168 Ų168142.3 Ų142.388%0.8880%0.801SS**  trans-77.6110.7160.1-82.2157000107.3S275S275-L277 PolarHBondContact O-N 2.92Å
278Q29.3Very low30.9Very low174 Ų174144.2 Ų144.281%0.81380%0.804SS**  trans-65134.6168.8-68.5-177.6-18.500109.3A276 I280A276-Q278 PolarHBondContact O-N 3.21Å; Q278-I280 PolarHBondContact O-N 3.34Å
279P27.3Very low30.5Very low118 Ų118144.3 Ų144.377%0.76681%0.805SS**  trans-68.2127168.525.6-28.6000109.1R281P279-R281 PolarHBondContact O-N 2.89Å
280I28.5Very low30.7Very low155 Ų155146.6 Ų146.680%0.79580%0.803SS**  trans-63.2106.6172.5-62.6170.2000107Q278 E282Q278-I280 PolarHBondContact O-N 3.34Å; I280-E282 HydrophobicContact CG2-CG 4.31Å; I280-E282 PolarHBondContact O-N 3.22Å; I280-E282 VanDerWaalsContact O-N 3.09Å
281R29.6Very low30.3Very low243 Ų243148.4 Ų148.492%0.91781%0.806SS**  trans-67.996.1166.4-82.3-179.5166.8-177.8-4.4108.4P279P279-R281 PolarHBondContact O-N 2.89Å
282E31.1Very low30.3Very low173 Ų173144.8 Ų144.881%0.80880%0.802SS**PPolyproline II helixtrans-80.5116.2153.9-73.7-171.5168.700107.6I280I280-E282 HydrophobicContact CG2-CG 4.31Å; I280-E282 PolarHBondContact O-N 3.22Å; I280-E282 VanDerWaalsContact O-N 3.09Å
283K29.6Very low30.4Very low190 Ų190149.8 Ų149.883%0.82681%0.807SS**PPolyproline II helixtrans-61.6134.3172.6-73.3178.2174.5-178.20108.8L285K283-L285 PolarHBondContact O-N 3.36Å
284P32Very low30.8Very low124 Ų124150.5 Ų150.581%0.80584%0.839SS**PPolyproline II helixtrans-58.4129163.8-16.228.8000108.7
285L33.3Very low30.8Very low163 Ų163152.1 Ų152.185%0.85384%0.839SS**PPolyproline II helixtrans-65.8135.6169.8-77.4158.7000108.4K283 W287K283-L285 PolarHBondContact O-N 3.36Å; L285-W287 PolarHBondContact O-N 3.46Å
286P27.7Very low30.8Very low112 Ų112154.8 Ų154.873%0.72785%0.847SS**PPolyproline II helixtrans-63.5135.9176.924.7-31.2000110.4L288P286-L288 PolarHBondContact O-N 3.09Å
287W31.7Very low30.9Very low212 Ų212158.3 Ų158.380%0.80385%0.851SS**PPolyproline II helixtrans-56.2126.1170.1-102.782.9000110.1L285L285-W287 PolarHBondContact O-N 3.46Å
288L27.7Very low31.1Very low156 Ų156157.7 Ų157.782%0.81785%0.849SS**  trans-99.5110.4170.8-81.2159.6000108.2P286P286-L288 PolarHBondContact O-N 3.09Å
289P30.9Very low31.2Very low113 Ų113156.7 Ų156.773%0.73485%0.851SS**  trans-66.5138.4174.924.5-30.2000110.5S291P289-S291 PolarHBondContact O-N 3.49Å; P289-S291 VanDerWaalsContact O-N 3.13Å
290H34.3Very low31.5Very low187 Ų187159.3 Ų159.387%0.86686%0.857SS**  trans-56.1118.3174.2-73.2-70000110.1S292H290-S292 PolarHBondContact O-N 2.95Å
291S31.9Very low31.7Very low100 Ų100159.6 Ų159.670%0.69986%0.862SS**  trans-51.4113.5171.51780000110P289 K293P289-S291 PolarHBondContact O-N 3.49Å; P289-S291 VanDerWaalsContact O-N 3.13Å; S291-K293 PolarHBondContact O-N 3.28Å
292S34.1Very low31.9Very low116 Ų116153.2 Ų153.281%0.81186%0.857SS**  trans-64.7108.3157.544.20000107.7H290H290-S292 PolarHBondContact O-N 2.95Å
293K33.9Very low32Very low195 Ų195151.5 Ų151.585%0.84886%0.861SS**  trans-92.2119.9158.6-77.2-170.4174.9-177.20107.7S291S291-K293 PolarHBondContact O-N 3.28Å
294G36.3Very low32.2Very low150 Ų150148 Ų148100%1.54687%0.865SS**  trans-68.7015500000111.9

Retrieved 294 of 294 residues in 171.8 ms (Link to these results)

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