A0A075B5L0_MOUSE Loading...

Immunoglobulin kappa variable 10-95

AlphaFold DB , UniProt , Accession A0A075B5L0, Species MOUSE (Mus musculus, Mouse), Gene Igkv10-95, Length 95 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
1D87Confident89.6Confident140 Ų14083.5 Ų83.575%0.74949%0.485SS*.  0143.20-176.833.6000108Q3D1-Q3 PolarHBondContact O-N 3.05Å; D1-Q3 PolarHBondContact OD2-NE2 3Å
2I93.1Very high89.9Confident8 Ų887.3 Ų87.34%0.04152%0.519CS..  trans-87113.5-176.2-58.2176.2000108.4M4 A25 E27 I29 Q90 K93I2-M4 HydrophobicContact CG2-SD 4.04Å; I2-A25 HydrophobicContact CG2-CB 4.14Å; I2-E27 HydrophobicContact CD1-CG 4.14Å; I2-E27 WeakPolarHBondContact CD1-OE1 3.47Å; I2-E27 HydrophobicContact CG1-CG 3.86Å; I2-E27 WeakPolarHBondContact CG1-OE1 3.47Å; I2-E27 HydrophobicContact CG2-CG 4.33Å; I2-I29 HydrophobicContact CD1-CG2 3.8Å; I2-I29 HydrophobicContact CG2-CG2 3.93Å; I2-Q90 HydrophobicContact CB-CG 3.91Å; I2-Q90 HydrophobicContact CD1-CG 4.45Å; I2-Q90 HydrophobicContact CG2-CG 3.72Å; I2-K93 HydrophobicContact CD1-CB 3.61Å; I2-K93 HydrophobicContact CG1-CB 4.34Å
3Q95Very high90.3Very high107 Ų10784.3 Ų84.350%0.551%0.51SS..  trans-87.7135.7177.9-57.2-55-54.200110D1 A25 S26D1-Q3 PolarHBondContact O-N 3.05Å; D1-Q3 PolarHBondContact OD2-NE2 3Å; Q3-A25 CarbonylContact O-C 3.52Å; Q3-A25 WeakPolarHBondContact O-CA 3.17Å; Q3-S26 PolarHBondContact N-OG 2.88Å; Q3-S26 PolarHBondContact O-N 3.36Å
4M95.6Very high90.8Very high51 Ų5183.9 Ų83.925%0.25151%0.513SS..EExtended strand (participates in β ladder)trans-109.1128.9175.5-56-55.2-62.200109.6I2 C23 A25 I29 L33 Q90I2-M4 HydrophobicContact CG2-SD 4.04Å; M4-C23 WeakPolarHBondContact CE-SG 3.21Å; M4-A25 HydrophobicContact CE-CB 3.91Å; M4-A25 HydrophobicContact SD-CB 3.67Å; M4-I29 HydrophobicContact CE-CD1 4.16Å; M4-I29 HydrophobicContact SD-CD1 4.44Å; M4-L33 HydrophobicContact CE-CD1 3.47Å; M4-L33 VanDerWaalsContact CE-CD1 3.47Å; M4-Q90 HydrophobicContact CE-CB 4.36Å; M4-Q90 HydrophobicContact CG-CB 4.46Å; M4-Q90 HydrophobicContact CG-CG 4.17Å; M4-Q90 HydrophobicContact SD-CB 3.65Å; M4-Q90 HydrophobicContact SD-CG 3.69Å
5T97.1Very high91.3Very high84 Ų8485.9 Ų85.952%0.51552%0.518SS..EExtended strand (participates in β ladder)trans-121.6123.3-179.2-58.40000109.9C23 R24T5-C23 WeakPolarHBondContact O-CA 3.48Å; T5-R24 PolarHBondContact N-O 3.33Å; T5-R24 PolarHBondContact O-N 2.77Å
6Q96Very high91.7Very high61 Ų6182.8 Ų82.829%0.28551%0.509SS..EExtended strand (participates in β ladder)trans-101.8127.7169.1-65.8179.9-175.500108.7T8 S22 C23 Y86 C88Q6-T8 VanDerWaalsContact C-N 3.34Å; Q6-T8 PolarHBondContact O-N 3.2Å; Q6-S22 WeakPolarHBondContact CA-O 3.36Å; Q6-C23 HydrophobicContact CG-CB 4.29Å; Q6-Y86 PolarHBondContact NE2-O 3.36Å; Q6-Y86 PolarHBondContact OE1-O 3.45Å; Q6-C88 PolarHBondContact OE1-SG 3.05Å
7T83.5Confident92Very high105 Ų10581.9 Ų81.964%0.64450%0.501SS*.SBendtrans-74.5-24.3-171.746.50000113.6
8T79.6Confident92.4Very high51 Ų5187.2 Ų87.231%0.31351%0.51SS..  trans-117.8121.9-17851.10000110.7Q6 L11Q6-T8 VanDerWaalsContact C-N 3.34Å; Q6-T8 PolarHBondContact O-N 3.2Å; T8-L11 HydrophobicContact CG2-CD2 3.89Å
9S80.6Confident92.6Very high131 Ų13183.4 Ų83.492%0.91649%0.488SS*.SBendtrans-79.6-31.417552.70000112.5
10S87.2Confident92.8Very high96 Ų9682.5 Ų82.567%0.67148%0.483SS*.  trans-146.1138178.1600000110.3
11L91.1Very high93Very high85 Ų8579.1 Ų79.145%0.44546%0.464SS..  trans-123.8135.1174.7-69.9170.7000108.7T8 V19 I21T8-L11 HydrophobicContact CG2-CD2 3.89Å; L11-V19 HydrophobicContact CD1-CG1 3.83Å; L11-I21 HydrophobicContact CD1-CG1 3.85Å
12S93.5Very high93.5Very high129 Ų12975 Ų7590%0.90245%0.445SS*.  trans-112.2127.7171.4-61.30000108.3
13A94.6Very high93.7Very high48 Ų4874.7 Ų74.740%0.39744%0.444SS..  trans-148.3158.2-179.600000109.8D17 V19 L78A13-D17 HydrophobicContact CB-CB 4.16Å; A13-V19 HydrophobicContact CB-CG2 3.67Å; A13-L78 HydrophobicContact CB-CD2 3.83Å
14S97.6Very high93.8Very high79 Ų7976 Ų7655%0.55244%0.444SS*.  trans-87.2155.3176.1-53.30000110.7G16 D17S14-G16 PolarHBondContact O-N 3.46Å; S14-D17 WeakPolarHBondContact CA-OD2 3.47Å; S14-D17 WeakPolarHBondContact CB-OD2 3.33Å; S14-D17 PolarHBondContact N-OD2 3.31Å; S14-D17 WeakPolarHBondContact O-CB 3.29Å; S14-D17 PolarHBondContact O-N 2.71Å
15L97.6Very high93.9Very high113 Ų11373.7 Ų73.759%0.59243%0.433SS*.THydrogen-bonded Turntrans-58.3135.7172.2-61.2179.2000110D17 L78 P80L15-D17 VanDerWaalsContact C-N 3.29Å; L15-L78 WeakPolarHBondContact CA-O 3.49Å; L15-P80 HydrophobicContact CD1-CG 4.06Å; L15-P80 HydrophobicContact CD2-CG 4.02Å
16G97.8Very high93.9Very high36 Ų3673.2 Ų73.237%0.37143%0.433SS..THydrogen-bonded Turntrans85-9.2-173.400000115.3S14 N77 L78S14-G16 PolarHBondContact O-N 3.46Å; G16-N77 WeakPolarHBondContact CA-OD1 3.47Å; G16-L78 PolarHBondContact N-O 3.48Å
17D97.9Very high93.9Very high69 Ų6974.6 Ų74.637%0.36944%0.44SS..  trans-68.5154.3174.5-72.8-14.2000111.3A13 S14 L15 L78A13-D17 HydrophobicContact CB-CB 4.16Å; S14-D17 WeakPolarHBondContact CA-OD2 3.47Å; S14-D17 WeakPolarHBondContact CB-OD2 3.33Å; S14-D17 PolarHBondContact N-OD2 3.31Å; S14-D17 WeakPolarHBondContact O-CB 3.29Å; S14-D17 PolarHBondContact O-N 2.71Å; L15-D17 VanDerWaalsContact C-N 3.29Å; D17-L78 WeakPolarHBondContact O-CB 3.26Å; D17-L78 PolarHBondContact O-N 2.01Å
18R97.9Very high94.6Very high176 Ų17674.9 Ų74.966%0.66444%0.437SS*.  trans-85.1122.2166.1178.7179.6178.9141.92.4109.7T74 I75R18-T74 HydrophobicContact CG-CG2 4.07Å; R18-I75 CarbonylContact C-O 3.52Å; R18-I75 VanDerWaalsContact CA-O 3.27Å; R18-I75 WeakPolarHBondContact CA-O 3.41Å
19V96.6Very high95.5Very high15 Ų1572.5 Ų72.59%0.09142%0.423CS..EExtended strand (participates in β ladder)trans-109.7136.4176.2-178.10000109.8L11 A13 I21 T74 I75 L78L11-V19 HydrophobicContact CD1-CG1 3.83Å; A13-V19 HydrophobicContact CB-CG2 3.67Å; V19-I21 HydrophobicContact CG1-CG1 4.35Å; V19-T74 CarbonylContact O-C 3.55Å; V19-T74 VanDerWaalsContact O-CA 3.3Å; V19-T74 WeakPolarHBondContact O-CA 3.3Å; V19-I75 HydrophobicContact CB-CB 4.31Å; V19-I75 PolarHBondContact N-O 3.01Å; V19-I75 PolarHBondContact O-N 3.36Å; V19-L78 HydrophobicContact CG2-CB 4.42Å; V19-L78 HydrophobicContact CG2-CD1 4.25Å; V19-L78 HydrophobicContact CG2-CD2 4.13Å
20T97Very high96.3Very high65 Ų6569 Ų6940%0.39940%0.399SS..EExtended strand (participates in β ladder)trans-125.7128.4173-54.40000109.7L73T20-L73 CarbonylContact C-O 3.53Å; T20-L73 VanDerWaalsContact CA-O 3.29Å; T20-L73 WeakPolarHBondContact CA-O 3.01Å
21I97.1Very high96.7Very high13 Ų1367.1 Ų67.17%0.06738%0.383CS..EExtended strand (participates in β ladder)trans-113.6123.7176.9-49.2-176.3000107.9L11 V19 W35 S72 L73 Y86L11-I21 HydrophobicContact CD1-CG1 3.85Å; V19-I21 HydrophobicContact CG1-CG1 4.35Å; I21-W35 HydrophobicContact CB-CH2 4.23Å; I21-W35 HydrophobicContact CB-CZ3 4.46Å; I21-W35 HydrophobicContact CG2-CH2 3.96Å; I21-W35 HydrophobicContact CG2-CZ3 4.07Å; I21-S72 CarbonylContact O-C 3.33Å; I21-S72 WeakPolarHBondContact O-CA 3.39Å; I21-S72 WeakPolarHBondContact O-CB 3.4Å; I21-L73 HydrophobicContact CB-CB 4.37Å; I21-L73 HydrophobicContact CD1-CD2 4.31Å; I21-L73 PolarHBondContact N-O 3.49Å; I21-L73 PolarHBondContact O-N 3.18Å; I21-Y86 HydrophobicContact CD1-CD2 3.62Å; I21-Y86 HydrophobicContact CD1-CE2 4.4Å; I21-Y86 HydrophobicContact CD1-CG 3.77Å
22S97.3Very high97Very high52 Ų5267.7 Ų67.736%0.36438%0.38SS..EExtended strand (participates in β ladder)trans-94.8143.7178.9-57.80000111.5Q6 Y71Q6-S22 WeakPolarHBondContact CA-O 3.36Å; S22-Y71 WeakPolarHBondContact CA-O 3.27Å
23C97.4Very high97.3Very high2 Ų261.6 Ų61.61%0.01434%0.337CS..EExtended strand (participates in β ladder)trans-136.3132.5173.8174.40000110M4 T5 Q6 W35 Y71 C88M4-C23 WeakPolarHBondContact CE-SG 3.21Å; T5-C23 WeakPolarHBondContact O-CA 3.48Å; Q6-C23 HydrophobicContact CG-CB 4.29Å; C23-W35 HydrophobicContact CB-CH2 3.59Å; C23-W35 HydrophobicContact CB-CZ2 3.68Å; C23-Y71 PolarHBondContact N-O 2.9Å; C23-Y71 WeakPolarHBondContact O-CA 3.38Å; C23-Y71 WeakPolarHBondContact O-CB 3.26Å; C23-Y71 PolarHBondContact O-N 3.07Å; C23-Y71 VanDerWaalsContact O-O 3.1Å; C23-C88 HydrophobicContact CB-CB 3.55Å; C23-C88 WeakPolarHBondContact CB-SG 3.25Å; C23-C88 WeakPolarHBondContact SG-CB 3.48Å; C23-C88 CovalentContact SG-SG 2.01Å; C23-C88 PolarHBondContact SG-SG 3.19Å
24R97.8Very high97.4Very high134 Ų13460.2 Ų60.251%0.50632%0.323SS..EExtended strand (participates in β ladder)trans-124.6128.7-179.2-173.9176.3177.996.14110.8T5 A69 D70T5-R24 PolarHBondContact N-O 3.33Å; T5-R24 PolarHBondContact O-N 2.77Å; R24-A69 CarbonylContact C-O 3.5Å; R24-A69 VanDerWaalsContact CA-O 3.25Å; R24-A69 WeakPolarHBondContact CA-O 3.18Å; R24-A69 WeakPolarHBondContact CG-O 3.43Å; R24-D70 IonicContact CZ-OD1 3.99Å; R24-D70 IonicContact CZ-OD2 2.8Å; R24-D70 IonicContact NE-OD1 3.2Å; R24-D70 IonicContact NH1-OD1 3.62Å; R24-D70 PolarHBondContact NH1-OD1 2.89Å; R24-D70 IonicContact NH1-OD2 2.66Å; R24-D70 PolarHBondContact NH1-OD2 3.42Å
25A97.3Very high97.5Very high3 Ų356.4 Ų56.43%0.02530%0.297CS..EExtended strand (participates in β ladder)trans-85.215317000000110.7I2 Q3 M4 E27 I29 A69I2-A25 HydrophobicContact CG2-CB 4.14Å; Q3-A25 CarbonylContact O-C 3.52Å; Q3-A25 WeakPolarHBondContact O-CA 3.17Å; M4-A25 HydrophobicContact CE-CB 3.91Å; M4-A25 HydrophobicContact SD-CB 3.67Å; A25-E27 VanDerWaalsContact CB-O 3.31Å; A25-E27 WeakPolarHBondContact CB-O 3.29Å; A25-E27 PolarHBondContact O-N 3.23Å; A25-I29 HydrophobicContact CB-CD1 4Å; A25-I29 HydrophobicContact CB-CG1 4.26Å; A25-I29 HydrophobicContact CB-CG2 4.01Å; A25-A69 PolarHBondContact N-O 3.11Å
26S97Very high97.5Very high74 Ų7454 Ų5452%0.51728%0.28SS..SBendtrans-69.3-17.9175.358.20000113.9Q3Q3-S26 PolarHBondContact N-OG 2.88Å; Q3-S26 PolarHBondContact O-N 3.36Å
27E96.5Very high97.5Very high91 Ų9153.1 Ų53.143%0.42527%0.266SS..SBendtrans-147.6176.2179.860.6-173.7-159.600110.8I2 A25 I29I2-E27 HydrophobicContact CD1-CG 4.14Å; I2-E27 WeakPolarHBondContact CD1-OE1 3.47Å; I2-E27 HydrophobicContact CG1-CG 3.86Å; I2-E27 WeakPolarHBondContact CG1-OE1 3.47Å; I2-E27 HydrophobicContact CG2-CG 4.33Å; A25-E27 VanDerWaalsContact CB-O 3.31Å; A25-E27 WeakPolarHBondContact CB-O 3.29Å; A25-E27 PolarHBondContact O-N 3.23Å; E27-I29 PolarHBondContact O-N 3.44Å
28D97.5Very high97.5Very high110 Ų11052.6 Ų52.659%0.58826%0.262SS*.  trans-68.6120.9176.8-171-35.2000111S30 G68D28-S30 WeakPolarHBondContact OD1-CA 3.19Å; D28-S30 PolarHBondContact OD1-N 2.88Å; D28-G68 WeakPolarHBondContact OD1-CA 3.43Å
29I97.6Very high97.5Very high1 Ų147.3 Ų47.31%0.00524%0.243CC..  trans-114.718.7175.569.4175.4000112.7I2 M4 A25 E27 T31 Y32 L33 G68 Y71 Q90I2-I29 HydrophobicContact CD1-CG2 3.8Å; I2-I29 HydrophobicContact CG2-CG2 3.93Å; M4-I29 HydrophobicContact CE-CD1 4.16Å; M4-I29 HydrophobicContact SD-CD1 4.44Å; A25-I29 HydrophobicContact CB-CD1 4Å; A25-I29 HydrophobicContact CB-CG1 4.26Å; A25-I29 HydrophobicContact CB-CG2 4.01Å; E27-I29 PolarHBondContact O-N 3.44Å; I29-T31 PolarHBondContact O-N 2.91Å; I29-Y32 VanDerWaalsContact O-CB 3.29Å; I29-Y32 WeakPolarHBondContact O-CB 3.46Å; I29-Y32 WeakPolarHBondContact O-CD2 3.05Å; I29-Y32 PolarHBondContact O-N 2.94Å; I29-L33 HydrophobicContact CD1-CB 4.24Å; I29-L33 HydrophobicContact CD1-CD1 3.84Å; I29-G68 WeakPolarHBondContact CG1-O 3.4Å; I29-G68 PolarHBondContact N-O 3.45Å; I29-Y71 HydrophobicContact CD1-CD2 4.47Å; I29-Y71 HydrophobicContact CD1-CE2 3.66Å; I29-Y71 HydrophobicContact CG1-CE2 3.6Å; I29-Y71 WeakPolarHBondContact CG1-OH 3.33Å; I29-Q90 HydrophobicContact CD1-CB 3.45Å; I29-Q90 VanDerWaalsContact CD1-CB 3.45Å; I29-Q90 HydrophobicContact CG2-CB 4.27Å
30S97.2Very high97.4Very high58 Ų5852.3 Ų52.341%0.40628%0.276SS..THydrogen-bonded Turntrans55.2-102.3-179-174.90000113.1D28 S67 G68 Y71D28-S30 WeakPolarHBondContact OD1-CA 3.19Å; D28-S30 PolarHBondContact OD1-N 2.88Å; S30-S67 CarbonylContact O-C 3.6Å; S30-S67 VanDerWaalsContact O-CA 3.24Å; S30-S67 WeakPolarHBondContact O-CA 3.35Å; S30-G68 PolarHBondContact O-N 3.08Å; S30-Y71 PolarHBondContact O-OH 2.89Å
31T97.4Very high97.4Very high56 Ų5654.9 Ų54.934%0.34429%0.288SS..THydrogen-bonded Turntrans-128.317.8171.957.70000111.4I29 L33 Y50 T51I29-T31 PolarHBondContact O-N 2.91Å; T31-L33 PolarHBondContact O-N 2.99Å; T31-Y50 CarbonylContact O-C 3.59Å; T31-Y50 VanDerWaalsContact O-CA 3.31Å; T31-Y50 WeakPolarHBondContact O-CA 3.21Å; T31-T51 WeakPolarHBondContact CA-OG1 3.31Å; T31-T51 PolarHBondContact O-N 3Å; T31-T51 PolarHBondContact O-OG1 2.81Å
32Y97.5Very high97.3Very high98 Ų9856.3 Ų56.338%0.38431%0.305SS..  trans-81.256.2-176.3-57.7-58.9000111.9I29 Y50 Q90 Y91I29-Y32 VanDerWaalsContact O-CB 3.29Å; I29-Y32 WeakPolarHBondContact O-CB 3.46Å; I29-Y32 WeakPolarHBondContact O-CD2 3.05Å; I29-Y32 PolarHBondContact O-N 2.94Å; Y32-Y50 HydrophobicContact CD1-CE1 4.33Å; Y32-Y50 HydrophobicContact CE1-CE1 4.37Å; Y32-Q90 CarbonylContact O-C 3.47Å; Y32-Q90 VanDerWaalsContact O-CA 3.24Å; Y32-Q90 WeakPolarHBondContact O-CA 3.42Å; Y32-Y91 VanDerWaalsContact CA-CE1 3.49Å; Y32-Y91 VanDerWaalsContact CA-CZ 3.49Å; Y32-Y91 AromaticContact CD1-CD2 3.94Å; Y32-Y91 HydrophobicContact CD1-CD2 3.94Å; Y32-Y91 AromaticContact CD1-CE2 3.33Å; Y32-Y91 HydrophobicContact CD1-CE2 3.33Å; Y32-Y91 AromaticContact CD1-CZ 3.78Å; Y32-Y91 HydrophobicContact CE1-CE2 4.23Å; Y32-Y91 HydrophobicContact CG-CD2 4.31Å; Y32-Y91 HydrophobicContact CG-CE2 4.03Å; Y32-Y91 VanDerWaalsContact O-CD1 3.32Å; Y32-Y91 WeakPolarHBondContact O-CD1 3.36Å; Y32-Y91 PolarHBondContact O-N 3.45Å
33L98.1Very high97.3Very high0 Ų056.4 Ų56.40%030%0.304CS..EExtended strand (participates in β ladder)trans-123.8133.5178.4-170107.8000110.9M4 I29 T31 W35 Y50 T51 Y71 C88M4-L33 HydrophobicContact CE-CD1 3.47Å; M4-L33 VanDerWaalsContact CE-CD1 3.47Å; I29-L33 HydrophobicContact CD1-CB 4.24Å; I29-L33 HydrophobicContact CD1-CD1 3.84Å; T31-L33 PolarHBondContact O-N 2.99Å; L33-W35 HydrophobicContact CD2-CZ2 4.45Å; L33-W35 VanDerWaalsContact CD2-NE1 3.31Å; L33-Y50 PolarHBondContact O-N 3.48Å; L33-T51 PolarHBondContact O-N 2.83Å; L33-Y71 HydrophobicContact CB-CD1 4.01Å; L33-Y71 HydrophobicContact CB-CE1 4Å; L33-Y71 HydrophobicContact CB-CG 4.36Å; L33-Y71 HydrophobicContact CD1-CD1 4.35Å; L33-Y71 HydrophobicContact CD1-CD2 3.76Å; L33-Y71 HydrophobicContact CD1-CE2 4.21Å; L33-Y71 HydrophobicContact CD1-CG 3.85Å; L33-Y71 HydrophobicContact CD2-CD1 3.82Å; L33-Y71 HydrophobicContact CD2-CD2 4.5Å; L33-Y71 HydrophobicContact CD2-CG 3.74Å; L33-Y71 HydrophobicContact CG-CD1 4.27Å; L33-Y71 HydrophobicContact CG-CG 4.19Å; L33-C88 HydrophobicContact CD1-CB 4.1Å; L33-C88 HydrophobicContact CD2-CB 4.44Å; L33-C88 HydrophobicContact CG-CB 4.45Å
34N98.4Very high97.3Very high19 Ų1960 Ų6010%0.10233%0.326CS..EExtended strand (participates in β ladder)trans-114.3148.2169.8-65.8-24.7000110.5Y36 L46 I48 Y49 C88 Q89 Y91N34-Y36 HydrophobicContact CB-CD2 4.42Å; N34-Y36 HydrophobicContact CB-CE2 3.63Å; N34-L46 HydrophobicContact CB-CD1 3.92Å; N34-I48 CarbonylContact C-O 3.59Å; N34-I48 VanDerWaalsContact CA-O 3.25Å; N34-I48 WeakPolarHBondContact CA-O 3.21Å; N34-Y49 WeakPolarHBondContact OD1-CA 3.25Å; N34-Y49 WeakPolarHBondContact OD1-CB 3.29Å; N34-C88 CarbonylContact O-C 3.54Å; N34-C88 VanDerWaalsContact O-CA 3.31Å; N34-C88 WeakPolarHBondContact O-CA 3.31Å; N34-Q89 PolarHBondContact N-O 2.8Å; N34-Q89 PolarHBondContact O-N 2.87Å; N34-Y91 VanDerWaalsContact OD1-CE1 3.29Å; N34-Y91 WeakPolarHBondContact OD1-CE1 3.37Å
35W98.5Very high97.3Very high0 Ų059.3 Ų59.30%033%0.326CS..EExtended strand (participates in β ladder)trans-110.6137.2167.9-73.398.3000110.5I21 C23 L33 L47 I48 L73 Y87 C88I21-W35 HydrophobicContact CB-CH2 4.23Å; I21-W35 HydrophobicContact CB-CZ3 4.46Å; I21-W35 HydrophobicContact CG2-CH2 3.96Å; I21-W35 HydrophobicContact CG2-CZ3 4.07Å; C23-W35 HydrophobicContact CB-CH2 3.59Å; C23-W35 HydrophobicContact CB-CZ2 3.68Å; L33-W35 HydrophobicContact CD2-CZ2 4.45Å; L33-W35 VanDerWaalsContact CD2-NE1 3.31Å; W35-L47 HydrophobicContact CB-CB 4.42Å; W35-L47 WeakPolarHBondContact O-CA 3.34Å; W35-L47 WeakPolarHBondContact O-CB 3.34Å; W35-L47 PolarHBondContact O-N 2.86Å; W35-I48 HydrophobicContact CB-CB 4.1Å; W35-I48 HydrophobicContact CB-CG1 4.49Å; W35-I48 PolarHBondContact N-O 2.79Å; W35-I48 PolarHBondContact O-N 2.95Å; W35-L73 HydrophobicContact CD2-CB 3.69Å; W35-L73 HydrophobicContact CD2-CD2 4.16Å; W35-L73 HydrophobicContact CD2-CG 4.39Å; W35-L73 HydrophobicContact CE3-CB 3.99Å; W35-L73 HydrophobicContact CE3-CD2 3.96Å; W35-L73 HydrophobicContact CG-CB 4.21Å; W35-L73 HydrophobicContact CG-CD1 4.36Å; W35-L73 HydrophobicContact CG-CD2 4.47Å; W35-L73 HydrophobicContact CH2-CB 4Å; W35-L73 HydrophobicContact CZ2-CB 3.72Å; W35-L73 HydrophobicContact CZ3-CB 4.13Å; W35-L73 HydrophobicContact CZ3-CD2 4.45Å; W35-Y87 CarbonylContact C-O 3.56Å; W35-Y87 WeakPolarHBondContact CA-O 3.34Å; W35-C88 HydrophobicContact CD2-CB 4.13Å; W35-C88 HydrophobicContact CE3-CB 3.93Å; W35-C88 HydrophobicContact CH2-CB 3.9Å; W35-C88 HydrophobicContact CZ2-CB 4.07Å; W35-C88 HydrophobicContact CZ3-CB 3.82Å
36Y98.3Very high97.4Very high62 Ų6261.5 Ų61.524%0.24334%0.337CS..EExtended strand (participates in β ladder)trans-120.8145.3175.9-61.3-95.7000110.3N34 V44 K45 L46 Y86 Y87 Q89N34-Y36 HydrophobicContact CB-CD2 4.42Å; N34-Y36 HydrophobicContact CB-CE2 3.63Å; Y36-V44 HydrophobicContact CD1-CG1 4.21Å; Y36-K45 VanDerWaalsContact CA-O 3.26Å; Y36-K45 WeakPolarHBondContact CA-O 3.34Å; Y36-L46 HydrophobicContact CD1-CB 4.31Å; Y36-L46 HydrophobicContact CD1-CD1 4.31Å; Y36-L46 HydrophobicContact CE1-CB 4.11Å; Y36-L46 HydrophobicContact CE1-CD1 3.88Å; Y36-L46 HydrophobicContact CE2-CD1 4.45Å; Y36-Y86 WeakPolarHBondContact O-CA 3.36Å; Y36-Y87 PolarHBondContact N-O 2.99Å; Y36-Y87 PolarHBondContact O-N 2.63Å; Y36-Q89 HydrophobicContact CD2-CB 4.4Å; Y36-Q89 HydrophobicContact CE2-CB 3.91Å; Y36-Q89 PolarHBondContact OH-OE1 2.8Å; Y36-Q89 VanDerWaalsContact OH-OE1 3.08Å
37Q98.1Very high97.5Very high18 Ų1858.2 Ų58.28%0.08431%0.314CS..EExtended strand (participates in β ladder)trans-110124.7171.4-175.2-171.958.800108.6V44 K45 A84 Y86Q37-V44 WeakPolarHBondContact O-CA 3.33Å; Q37-K45 PolarHBondContact N-O 3.28Å; Q37-K45 PolarHBondContact O-N 3.4Å; Q37-A84 HydrophobicContact CG-CB 3.45Å; Q37-A84 VanDerWaalsContact CG-CB 3.45Å; Q37-Y86 HydrophobicContact CB-CD1 4.23Å; Q37-Y86 HydrophobicContact CB-CE1 3.96Å; Q37-Y86 HydrophobicContact CG-CD1 4.36Å; Q37-Y86 HydrophobicContact CG-CE1 3.77Å; Q37-Y86 PolarHBondContact NE2-OH 3.2Å
38Q98Very high97.6Very high58 Ų5853.9 Ų53.927%0.27129%0.294SS..EExtended strand (participates in β ladder)trans-108.3114.8170.1-175.9174.537.200109.8T43 V44 A84 T85 Y87Q38-T43 WeakPolarHBondContact CA-O 3.48Å; Q38-V44 HydrophobicContact CB-CG2 4.06Å; Q38-V44 HydrophobicContact CG-CG2 3.83Å; Q38-A84 WeakPolarHBondContact O-CA 3.35Å; Q38-A84 VanDerWaalsContact O-CB 3.27Å; Q38-A84 WeakPolarHBondContact O-CB 3.12Å; Q38-T85 PolarHBondContact N-O 3.39Å; Q38-T85 PolarHBondContact O-N 2.84Å; Q38-Y87 HydrophobicContact CB-CD2 4.38Å; Q38-Y87 HydrophobicContact CB-CE2 3.83Å; Q38-Y87 PolarHBondContact OE1-OH 2.97Å
39K96.1Very high97.6Very high64 Ų6453.3 Ų53.328%0.27828%0.284SS..  trans-77.5162.2178.3-71-167.2175.8-158.70111.8D41 G42 T43K39-D41 WeakPolarHBondContact CB-OD1 3.47Å; K39-D41 PolarHBondContact O-N 2.99Å; K39-D41 VanDerWaalsContact O-N 3.08Å; K39-G42 PolarHBondContact O-N 3.36Å; K39-T43 PolarHBondContact N-O 3.01Å
40P95.6Very high97.6Very high121 Ų12159.3 Ų59.379%0.78631%0.307SS*.THydrogen-bonded Turntrans-57.5-22.3178-27.536000115.1G42P40-G42 PolarHBondContact O-N 2.87Å
41D96.2Very high97.6Very high119 Ų11956.7 Ų56.764%0.63629%0.289SS*.THydrogen-bonded Turntrans-80-0.1174.869.2-8.6000113.6K39 T43K39-D41 WeakPolarHBondContact CB-OD1 3.47Å; K39-D41 PolarHBondContact O-N 2.99Å; K39-D41 VanDerWaalsContact O-N 3.08Å; D41-T43 VanDerWaalsContact C-N 3.34Å; D41-T43 VanDerWaalsContact CG-OG1 3.26Å; D41-T43 WeakPolarHBondContact OD1-CB 3.5Å; D41-T43 PolarHBondContact OD1-N 2.97Å; D41-T43 PolarHBondContact OD1-OG1 3.39Å; D41-T43 VanDerWaalsContact OD1-OG1 3.05Å; D41-T43 PolarHBondContact OD2-OG1 3.43Å
42G95.9Very high97.7Very high42 Ų4257.9 Ų57.943%0.43330%0.3SS..SBendtrans86.9-4.4-177.500000114.5K39 P40 V44K39-G42 PolarHBondContact O-N 3.36Å; P40-G42 PolarHBondContact O-N 2.87Å; G42-V44 PolarHBondContact O-N 2.99Å
43T97.4Very high97.7Very high54 Ų5454.1 Ų54.133%0.33129%0.291SS..  trans-66119.2178.8-60.40000110.4Q38 K39 D41 K45Q38-T43 WeakPolarHBondContact CA-O 3.48Å; K39-T43 PolarHBondContact N-O 3.01Å; D41-T43 VanDerWaalsContact C-N 3.34Å; D41-T43 VanDerWaalsContact CG-OG1 3.26Å; D41-T43 WeakPolarHBondContact OD1-CB 3.5Å; D41-T43 PolarHBondContact OD1-N 2.97Å; D41-T43 PolarHBondContact OD1-OG1 3.39Å; D41-T43 VanDerWaalsContact OD1-OG1 3.05Å; D41-T43 PolarHBondContact OD2-OG1 3.43Å; T43-K45 HydrophobicContact CG2-CD 4.48Å; T43-K45 HydrophobicContact CG2-CG 4.15Å
44V97.9Very high97.7Very high79 Ų7957 Ų5748%0.47931%0.306SS..EExtended strand (participates in β ladder)trans-101.4132.6175.4-177.20000110Y36 Q37 Q38 G42Y36-V44 HydrophobicContact CD1-CG1 4.21Å; Q37-V44 WeakPolarHBondContact O-CA 3.33Å; Q38-V44 HydrophobicContact CB-CG2 4.06Å; Q38-V44 HydrophobicContact CG-CG2 3.83Å; G42-V44 PolarHBondContact O-N 2.99Å
45K97.6Very high97.7Very high119 Ų11960 Ų6052%0.51732%0.319SS..EExtended strand (participates in β ladder)trans-133.9145.7175.8-63.6-177.1-178.4-177.10111.5Y36 Q37 T43 L47Y36-K45 VanDerWaalsContact CA-O 3.26Å; Y36-K45 WeakPolarHBondContact CA-O 3.34Å; Q37-K45 PolarHBondContact N-O 3.28Å; Q37-K45 PolarHBondContact O-N 3.4Å; T43-K45 HydrophobicContact CG2-CD 4.48Å; T43-K45 HydrophobicContact CG2-CG 4.15Å; K45-L47 PolarHBondContact O-N 3.15Å
46L98.4Very high97.7Very high48 Ų4865.2 Ų65.225%0.25136%0.356SS..EExtended strand (participates in β ladder)trans-68.5126.6166.7-179.759.5000108.8N34 Y36 I48 H55N34-L46 HydrophobicContact CB-CD1 3.92Å; Y36-L46 HydrophobicContact CD1-CB 4.31Å; Y36-L46 HydrophobicContact CD1-CD1 4.31Å; Y36-L46 HydrophobicContact CE1-CB 4.11Å; Y36-L46 HydrophobicContact CE1-CD1 3.88Å; Y36-L46 HydrophobicContact CE2-CD1 4.45Å; L46-I48 WeakPolarHBondContact CD1-O 3.43Å; L46-H55 HydrophobicContact CG-CB 4.26Å; L46-H55 WeakPolarHBondContact O-CB 3.5Å
47L98.4Very high97.7Very high6 Ų666.2 Ų66.23%0.03138%0.384CS..EExtended strand (participates in β ladder)trans-104.1-54.2-177.6-171.175.3000110.4W35 K45 H55 V58 F62 L73 Y86W35-L47 HydrophobicContact CB-CB 4.42Å; W35-L47 WeakPolarHBondContact O-CA 3.34Å; W35-L47 WeakPolarHBondContact O-CB 3.34Å; W35-L47 PolarHBondContact O-N 2.86Å; K45-L47 PolarHBondContact O-N 3.15Å; L47-H55 PolarHBondContact O-N 2.82Å; L47-V58 HydrophobicContact CD1-CB 4.41Å; L47-V58 HydrophobicContact CD1-CG1 3.47Å; L47-V58 VanDerWaalsContact CD1-CG1 3.47Å; L47-V58 HydrophobicContact CD1-CG2 4Å; L47-V58 HydrophobicContact CG-CG1 4.07Å; L47-F62 HydrophobicContact CD1-CD1 4.08Å; L47-F62 HydrophobicContact CD1-CD2 4.15Å; L47-F62 HydrophobicContact CD1-CE1 4.16Å; L47-F62 HydrophobicContact CD1-CE2 4.25Å; L47-F62 HydrophobicContact CD1-CG 4.05Å; L47-F62 HydrophobicContact CD1-CZ 4.23Å; L47-F62 HydrophobicContact CD2-CD1 3.65Å; L47-F62 HydrophobicContact CD2-CE1 3.96Å; L47-F62 HydrophobicContact CD2-CG 4.24Å; L47-F62 HydrophobicContact CG-CD1 4.24Å; L47-F62 HydrophobicContact CG-CG 4.36Å; L47-L73 HydrophobicContact CD2-CD1 3.81Å; L47-L73 HydrophobicContact CD2-CD2 3.84Å; L47-L73 HydrophobicContact CD2-CG 4.5Å; L47-Y86 HydrophobicContact CD2-CD1 4.12Å; L47-Y86 HydrophobicContact CD2-CE1 3.89Å
48I98.8Very high97.7Very high0 Ų066.6 Ų66.60%039%0.388CS..EExtended strand (participates in β ladder)trans-134.2139-178.3-53.4-169.3000109.2N34 W35 L46 T51 G53 L54 F62 L73N34-I48 CarbonylContact C-O 3.59Å; N34-I48 VanDerWaalsContact CA-O 3.25Å; N34-I48 WeakPolarHBondContact CA-O 3.21Å; W35-I48 HydrophobicContact CB-CB 4.1Å; W35-I48 HydrophobicContact CB-CG1 4.49Å; W35-I48 PolarHBondContact N-O 2.79Å; W35-I48 PolarHBondContact O-N 2.95Å; L46-I48 WeakPolarHBondContact CD1-O 3.43Å; I48-T51 VanDerWaalsContact CG2-O 3.31Å; I48-T51 WeakPolarHBondContact CG2-O 3.02Å; I48-G53 CarbonylContact C-O 3.51Å; I48-G53 WeakPolarHBondContact CA-O 3.46Å; I48-G53 WeakPolarHBondContact CG2-O 3.32Å; I48-L54 HydrophobicContact CD1-CD2 4.1Å; I48-L54 HydrophobicContact CG1-CD2 3.99Å; I48-F62 HydrophobicContact CD1-CB 4.5Å; I48-L73 HydrophobicContact CD1-CD1 3.46Å; I48-L73 VanDerWaalsContact CD1-CD1 3.46Å; I48-L73 HydrophobicContact CG1-CD1 4.27Å
49Y98.3Very high97.7Very high98 Ų9866.2 Ų66.238%0.38439%0.391SS..EExtended strand (participates in β ladder)trans-126.9157.2176.270.8-79.4000111.4N34 T51 S52 G53 L54N34-Y49 WeakPolarHBondContact OD1-CA 3.25Å; N34-Y49 WeakPolarHBondContact OD1-CB 3.29Å; Y49-T51 PolarHBondContact O-N 3.08Å; Y49-S52 PolarHBondContact O-N 3.24Å; Y49-G53 WeakPolarHBondContact CD1-O 3.31Å; Y49-G53 WeakPolarHBondContact CE1-O 3.27Å; Y49-G53 PolarHBondContact N-O 2.91Å; Y49-G53 WeakPolarHBondContact O-CA 3.09Å; Y49-G53 PolarHBondContact O-N 2.8Å; Y49-L54 WeakPolarHBondContact CE1-O 3.31Å
50Y97.6Very high97.8Very high126 Ų12668.6 Ų68.649%0.49442%0.415SS..THydrogen-bonded Turntrans46.644.6-170.9-67.9-72.9000113.3T31 Y32 L33 S52 Y91T31-Y50 CarbonylContact O-C 3.59Å; T31-Y50 VanDerWaalsContact O-CA 3.31Å; T31-Y50 WeakPolarHBondContact O-CA 3.21Å; Y32-Y50 HydrophobicContact CD1-CE1 4.33Å; Y32-Y50 HydrophobicContact CE1-CE1 4.37Å; L33-Y50 PolarHBondContact O-N 3.48Å; Y50-S52 PolarHBondContact O-N 2.76Å; Y50-Y91 WeakPolarHBondContact CD1-OH 3.42Å; Y50-Y91 HydrophobicContact CE1-CE2 4.08Å; Y50-Y91 AromaticContact CE1-CZ 3.97Å; Y50-Y91 WeakPolarHBondContact CE1-OH 3.3Å
51T98.2Very high97.9Very high4 Ų464.1 Ų64.13%0.02538%0.383CS..THydrogen-bonded Turntrans67.2-37.3-177.8-570000116.5T31 L33 I48 Y49 G64 S65 G66 Y71T31-T51 WeakPolarHBondContact CA-OG1 3.31Å; T31-T51 PolarHBondContact O-N 3Å; T31-T51 PolarHBondContact O-OG1 2.81Å; L33-T51 PolarHBondContact O-N 2.83Å; I48-T51 VanDerWaalsContact CG2-O 3.31Å; I48-T51 WeakPolarHBondContact CG2-O 3.02Å; Y49-T51 PolarHBondContact O-N 3.08Å; T51-G64 CarbonylContact O-C 3.48Å; T51-G64 WeakPolarHBondContact O-CA 3.13Å; T51-S65 VanDerWaalsContact CG2-C 3.49Å; T51-G66 WeakPolarHBondContact CG2-O 2.81Å; T51-Y71 HydrophobicContact CG2-CD1 3.72Å; T51-Y71 HydrophobicContact CG2-CE1 4.05Å; T51-Y71 WeakPolarHBondContact OG1-CE1 3.43Å
52S98.2Very high98Very high80 Ų8058.7 Ų58.756%0.55935%0.353SS*.THydrogen-bonded Turntrans-134.9-10.5-169.962.30000115.3Y49 Y50 L54 G64Y49-S52 PolarHBondContact O-N 3.24Å; Y50-S52 PolarHBondContact O-N 2.76Å; S52-L54 PolarHBondContact O-N 2.83Å; S52-G64 WeakPolarHBondContact CB-O 3.45Å
53G98.4Very high98.1Very high19 Ų1959.2 Ų59.220%0.19635%0.351CS..EExtended strand (participates in β ladder)trans-75.2119178.800000111.7I48 Y49I48-G53 CarbonylContact C-O 3.51Å; I48-G53 WeakPolarHBondContact CA-O 3.46Å; I48-G53 WeakPolarHBondContact CG2-O 3.32Å; Y49-G53 WeakPolarHBondContact CD1-O 3.31Å; Y49-G53 WeakPolarHBondContact CE1-O 3.27Å; Y49-G53 PolarHBondContact N-O 2.91Å; Y49-G53 WeakPolarHBondContact O-CA 3.09Å; Y49-G53 PolarHBondContact O-N 2.8Å
54L98.6Very high98.2Very high62 Ų6257.1 Ų57.133%0.32534%0.339SS..EExtended strand (participates in β ladder)trans-73.5130.8175.1-67.9168.1000110.6I48 Y49 S52 V58 F62I48-L54 HydrophobicContact CD1-CD2 4.1Å; I48-L54 HydrophobicContact CG1-CD2 3.99Å; Y49-L54 WeakPolarHBondContact CE1-O 3.31Å; S52-L54 PolarHBondContact O-N 2.83Å; L54-V58 HydrophobicContact CB-CB 4.42Å; L54-V58 HydrophobicContact CD2-CB 4.32Å; L54-V58 HydrophobicContact CD2-CG1 3.66Å; L54-F62 HydrophobicContact CD2-CB 3.86Å; L54-F62 WeakPolarHBondContact CD2-O 2.99Å
55H98.4Very high98.2Very high80 Ų8056 Ų5637%0.3734%0.336SS..PPolyproline II helixtrans-65.9155.2171.4-169-88.9000110.8L46 L47 G57 V58L46-H55 HydrophobicContact CG-CB 4.26Å; L46-H55 WeakPolarHBondContact O-CB 3.5Å; L47-H55 PolarHBondContact O-N 2.82Å; H55-G57 PolarHBondContact O-N 2.83Å; H55-V58 HydrophobicContact CB-CG2 3.93Å; H55-V58 VanDerWaalsContact O-CB 3.29Å; H55-V58 WeakPolarHBondContact O-CB 3.38Å; H55-V58 WeakPolarHBondContact O-CG2 3.32Å; H55-V58 PolarHBondContact O-N 2.81Å
56S98Very high98.2Very high111 Ų11152.1 Ų52.178%0.77633%0.329SS*.THydrogen-bonded Turntrans-54.3131.5-179.9-55.60000112V58S56-V58 VanDerWaalsContact C-N 3.27Å; S56-V58 PolarHBondContact O-N 2.86Å
57G97.3Very high98.1Very high82 Ų8253.7 Ų53.785%0.84534%0.344SS*.THydrogen-bonded Turntrans80.5-1.9-179.600000115.1H55 P59H55-G57 PolarHBondContact O-N 2.83Å; G57-P59 WeakPolarHBondContact O-CD 3.31Å
58V98Very high98.1Very high27 Ų2754 Ų5416%0.16435%0.349CS..  trans-76.5126.4174.7178.10000109.7L47 L54 H55 S56 F62L47-V58 HydrophobicContact CD1-CB 4.41Å; L47-V58 HydrophobicContact CD1-CG1 3.47Å; L47-V58 VanDerWaalsContact CD1-CG1 3.47Å; L47-V58 HydrophobicContact CD1-CG2 4Å; L47-V58 HydrophobicContact CG-CG1 4.07Å; L54-V58 HydrophobicContact CB-CB 4.42Å; L54-V58 HydrophobicContact CD2-CB 4.32Å; L54-V58 HydrophobicContact CD2-CG1 3.66Å; H55-V58 HydrophobicContact CB-CG2 3.93Å; H55-V58 VanDerWaalsContact O-CB 3.29Å; H55-V58 WeakPolarHBondContact O-CB 3.38Å; H55-V58 WeakPolarHBondContact O-CG2 3.32Å; H55-V58 PolarHBondContact O-N 2.81Å; S56-V58 VanDerWaalsContact C-N 3.27Å; S56-V58 PolarHBondContact O-N 2.86Å; V58-F62 HydrophobicContact CG1-CB 3.97Å; V58-F62 HydrophobicContact CG1-CD2 3.72Å; V58-F62 HydrophobicContact CG1-CG 4.06Å
59P98.2Very high98Very high50 Ų5055 Ų5533%0.32536%0.357SS..  trans-61.7148179.5-27.537.9000113.5G57 R61 F62G57-P59 WeakPolarHBondContact O-CD 3.31Å; P59-R61 HydrophobicContact CB-CG 4.02Å; P59-R61 PolarHBondContact O-N 3.23Å; P59-R61 VanDerWaalsContact O-N 3.07Å; P59-F62 HydrophobicContact CB-CD2 4.32Å; P59-F62 HydrophobicContact CG-CE2 4.44Å; P59-F62 WeakPolarHBondContact O-CD2 3.4Å; P59-F62 PolarHBondContact O-N 3.41Å; P59-F62 VanDerWaalsContact O-N 3.11Å
60S98Very high98Very high113 Ų11354.1 Ų54.179%0.7936%0.359SS*.THydrogen-bonded Turntrans-67-8-179.756.80000114.7F62S60-F62 PolarHBondContact O-N 2.76Å
61R98Very high98Very high28 Ų2848.5 Ų48.511%0.10634%0.337CS..THydrogen-bonded Turntrans-65.9-23.5170.868.7-176.9172.5-107.94.7112.4P59 I75 S76 N77 E79 E81 D82P59-R61 HydrophobicContact CB-CG 4.02Å; P59-R61 PolarHBondContact O-N 3.23Å; P59-R61 VanDerWaalsContact O-N 3.07Å; R61-I75 HydrophobicContact CG-CG2 4.42Å; R61-I75 CarbonylContact O-C 3.55Å; R61-I75 WeakPolarHBondContact O-CA 3.46Å; R61-S76 WeakPolarHBondContact CA-OG 3.07Å; R61-S76 PolarHBondContact O-N 2.8Å; R61-S76 PolarHBondContact O-OG 2.9Å; R61-N77 VanDerWaalsContact CD-O 3.3Å; R61-N77 WeakPolarHBondContact CD-O 3.24Å; R61-E79 VanDerWaalsContact CZ-CD 3.45Å; R61-E79 IonicContact CZ-OE1 3.74Å; R61-E79 IonicContact CZ-OE2 3.01Å; R61-E79 IonicContact NE-OE1 3.43Å; R61-E79 IonicContact NH1-OE1 2.9Å; R61-E79 PolarHBondContact NH1-OE1 2.85Å; R61-E79 IonicContact NH1-OE2 3.68Å; R61-E79 PolarHBondContact NH1-OE2 2.74Å; R61-E79 IonicContact NH2-OE2 3.89Å; R61-E79 PolarHBondContact NH2-OE2 2.79Å; R61-E81 IonicContact CZ-OE1 3.46Å; R61-E81 IonicContact NH1-OE1 3.64Å; R61-E81 IonicContact NH2-OE1 2.71Å; R61-E81 PolarHBondContact NH2-OE1 3.15Å; R61-D82 IonicContact CZ-OD1 2.8Å; R61-D82 IonicContact CZ-OD2 3.61Å; R61-D82 IonicContact NE-OD1 3.72Å; R61-D82 PolarHBondContact NE-OD1 2.89Å; R61-D82 IonicContact NE-OD2 3.72Å; R61-D82 PolarHBondContact NE-OD2 2.89Å; R61-D82 IonicContact NH2-OD1 3.2Å; R61-D82 PolarHBondContact NH2-OD1 3.03Å; R61-D82 IonicContact NH2-OD2 2.77Å
62F98.6Very high98Very high4 Ų449.3 Ų49.32%0.01834%0.342CS..EExtended strand (participates in β ladder)trans-83.2138.5172.4-64.9-82.1000110.2L47 I48 L54 V58 P59 S60 L73 T74 I75 D82 Y86L47-F62 HydrophobicContact CD1-CD1 4.08Å; L47-F62 HydrophobicContact CD1-CD2 4.15Å; L47-F62 HydrophobicContact CD1-CE1 4.16Å; L47-F62 HydrophobicContact CD1-CE2 4.25Å; L47-F62 HydrophobicContact CD1-CG 4.05Å; L47-F62 HydrophobicContact CD1-CZ 4.23Å; L47-F62 HydrophobicContact CD2-CD1 3.65Å; L47-F62 HydrophobicContact CD2-CE1 3.96Å; L47-F62 HydrophobicContact CD2-CG 4.24Å; L47-F62 HydrophobicContact CG-CD1 4.24Å; L47-F62 HydrophobicContact CG-CG 4.36Å; I48-F62 HydrophobicContact CD1-CB 4.5Å; L54-F62 HydrophobicContact CD2-CB 3.86Å; L54-F62 WeakPolarHBondContact CD2-O 2.99Å; V58-F62 HydrophobicContact CG1-CB 3.97Å; V58-F62 HydrophobicContact CG1-CD2 3.72Å; V58-F62 HydrophobicContact CG1-CG 4.06Å; P59-F62 HydrophobicContact CB-CD2 4.32Å; P59-F62 HydrophobicContact CG-CE2 4.44Å; P59-F62 WeakPolarHBondContact O-CD2 3.4Å; P59-F62 PolarHBondContact O-N 3.41Å; P59-F62 VanDerWaalsContact O-N 3.11Å; S60-F62 PolarHBondContact O-N 2.76Å; F62-L73 HydrophobicContact CD1-CD1 4.37Å; F62-T74 CarbonylContact C-O 3.56Å; F62-T74 WeakPolarHBondContact CA-O 3.29Å; F62-I75 HydrophobicContact CD1-CD1 4.39Å; F62-I75 HydrophobicContact CD1-CG1 3.83Å; F62-I75 HydrophobicContact CE1-CD1 3.76Å; F62-I75 HydrophobicContact CE1-CG1 3.7Å; F62-I75 HydrophobicContact CE1-CG2 4.27Å; F62-D82 HydrophobicContact CZ-CB 4.23Å; F62-D82 WeakPolarHBondContact CZ-OD1 3.24Å; F62-Y86 HydrophobicContact CE1-CE1 4.06Å
63S98.6Very high98Very high54 Ų5445.5 Ų45.538%0.37832%0.316SS..EExtended strand (participates in β ladder)trans-150146.4169.152.70000110.4L73 T74S63-L73 CarbonylContact O-C 3.5Å; S63-T74 PolarHBondContact N-O 2.91Å; S63-T74 PolarHBondContact O-N 2.85Å
64G98.3Very high98Very high9 Ų944.9 Ų44.99%0.09331%0.308CS..EExtended strand (participates in β ladder)trans-116.6147.5176.100000109.9T51 S52 S72T51-G64 CarbonylContact O-C 3.48Å; T51-G64 WeakPolarHBondContact O-CA 3.13Å; S52-G64 WeakPolarHBondContact CB-O 3.45Å; G64-S72 CarbonylContact C-O 3.53Å; G64-S72 WeakPolarHBondContact CA-O 3.29Å
65S98.1Very high98Very high57 Ų5742 Ų4240%0.39929%0.293SS..EExtended strand (participates in β ladder)trans-145.5161.1-17970.80000110.8T51 Y71 S72T51-S65 VanDerWaalsContact CG2-C 3.49Å; S65-Y71 CarbonylContact O-C 3.12Å; S65-Y71 VanDerWaalsContact O-CA 3.29Å; S65-Y71 WeakPolarHBondContact O-CA 3.34Å; S65-S72 PolarHBondContact N-O 2.9Å; S65-S72 PolarHBondContact O-N 3.27Å; S65-S72 PolarHBondContact OG-OG 2.86Å
66G97.6Very high98Very high37 Ų3741.2 Ų41.238%0.38130%0.297SS..EExtended strand (participates in β ladder)trans123.6173.217900000113.6T51 D70T51-G66 WeakPolarHBondContact CG2-O 2.81Å; G66-D70 WeakPolarHBondContact CA-O 3.29Å
67S97.2Very high98Very high80 Ų8039.4 Ų39.456%0.55928%0.278SS*.EExtended strand (participates in β ladder)trans-169.2162.9174.856.60000109S30 A69 D70S30-S67 CarbonylContact O-C 3.6Å; S30-S67 VanDerWaalsContact O-CA 3.24Å; S30-S67 WeakPolarHBondContact O-CA 3.35Å; S67-A69 PolarHBondContact O-N 3.01Å; S67-D70 PolarHBondContact N-O 2.88Å; S67-D70 VanDerWaalsContact N-O 3.15Å; S67-D70 PolarHBondContact O-N 2.96Å
68G97.5Very high98Very high13 Ų1336.4 Ų36.413%0.13424%0.243CC..THydrogen-bonded Turntrans71.6-112.9179.700000110.1D28 I29 S30 Y71D28-G68 WeakPolarHBondContact OD1-CA 3.43Å; I29-G68 WeakPolarHBondContact CG1-O 3.4Å; I29-G68 PolarHBondContact N-O 3.45Å; S30-G68 PolarHBondContact O-N 3.08Å; G68-Y71 PolarHBondContact N-OH 2.8Å; G68-Y71 VanDerWaalsContact N-OH 3.16Å; G68-Y71 WeakPolarHBondContact O-CE2 3.36Å; G68-Y71 PolarHBondContact O-OH 2.84Å
69A97.5Very high98Very high21 Ų2137.8 Ų37.817%0.17425%0.248CC..THydrogen-bonded Turntrans-105.3-11.2-179.100000114.2R24 A25 S67R24-A69 CarbonylContact C-O 3.5Å; R24-A69 VanDerWaalsContact CA-O 3.25Å; R24-A69 WeakPolarHBondContact CA-O 3.18Å; R24-A69 WeakPolarHBondContact CG-O 3.43Å; A25-A69 PolarHBondContact N-O 3.11Å; S67-A69 PolarHBondContact O-N 3.01Å
70D98.1Very high98Very high80 Ų8039.3 Ų39.343%0.42826%0.257SS..EExtended strand (participates in β ladder)trans-121.2126.2-168.3-72-69.1000112.1R24 G66 S67R24-D70 IonicContact CZ-OD1 3.99Å; R24-D70 IonicContact CZ-OD2 2.8Å; R24-D70 IonicContact NE-OD1 3.2Å; R24-D70 IonicContact NH1-OD1 3.62Å; R24-D70 PolarHBondContact NH1-OD1 2.89Å; R24-D70 IonicContact NH1-OD2 2.66Å; R24-D70 PolarHBondContact NH1-OD2 3.42Å; G66-D70 WeakPolarHBondContact CA-O 3.29Å; S67-D70 PolarHBondContact N-O 2.88Å; S67-D70 VanDerWaalsContact N-O 3.15Å; S67-D70 PolarHBondContact O-N 2.96Å
71Y98.2Very high97.9Very high8 Ų837.9 Ų37.93%0.03124%0.238CC..EExtended strand (participates in β ladder)trans-139.2156.8-172.9-57.9-88.1000112.4S22 C23 I29 S30 L33 T51 S65 G68S22-Y71 WeakPolarHBondContact CA-O 3.27Å; C23-Y71 PolarHBondContact N-O 2.9Å; C23-Y71 WeakPolarHBondContact O-CA 3.38Å; C23-Y71 WeakPolarHBondContact O-CB 3.26Å; C23-Y71 PolarHBondContact O-N 3.07Å; C23-Y71 VanDerWaalsContact O-O 3.1Å; I29-Y71 HydrophobicContact CD1-CD2 4.47Å; I29-Y71 HydrophobicContact CD1-CE2 3.66Å; I29-Y71 HydrophobicContact CG1-CE2 3.6Å; I29-Y71 WeakPolarHBondContact CG1-OH 3.33Å; S30-Y71 PolarHBondContact O-OH 2.89Å; L33-Y71 HydrophobicContact CB-CD1 4.01Å; L33-Y71 HydrophobicContact CB-CE1 4Å; L33-Y71 HydrophobicContact CB-CG 4.36Å; L33-Y71 HydrophobicContact CD1-CD1 4.35Å; L33-Y71 HydrophobicContact CD1-CD2 3.76Å; L33-Y71 HydrophobicContact CD1-CE2 4.21Å; L33-Y71 HydrophobicContact CD1-CG 3.85Å; L33-Y71 HydrophobicContact CD2-CD1 3.82Å; L33-Y71 HydrophobicContact CD2-CD2 4.5Å; L33-Y71 HydrophobicContact CD2-CG 3.74Å; L33-Y71 HydrophobicContact CG-CD1 4.27Å; L33-Y71 HydrophobicContact CG-CG 4.19Å; T51-Y71 HydrophobicContact CG2-CD1 3.72Å; T51-Y71 HydrophobicContact CG2-CE1 4.05Å; T51-Y71 WeakPolarHBondContact OG1-CE1 3.43Å; S65-Y71 CarbonylContact O-C 3.12Å; S65-Y71 VanDerWaalsContact O-CA 3.29Å; S65-Y71 WeakPolarHBondContact O-CA 3.34Å; G68-Y71 PolarHBondContact N-OH 2.8Å; G68-Y71 VanDerWaalsContact N-OH 3.16Å; G68-Y71 WeakPolarHBondContact O-CE2 3.36Å; G68-Y71 PolarHBondContact O-OH 2.84Å
72S97.7Very high97.8Very high20 Ų2036.8 Ų36.814%0.1423%0.234CC..EExtended strand (participates in β ladder)trans-146.2151.1169.265.70000113.2I21 G64 S65I21-S72 CarbonylContact O-C 3.33Å; I21-S72 WeakPolarHBondContact O-CA 3.39Å; I21-S72 WeakPolarHBondContact O-CB 3.4Å; G64-S72 CarbonylContact C-O 3.53Å; G64-S72 WeakPolarHBondContact CA-O 3.29Å; S65-S72 PolarHBondContact N-O 2.9Å; S65-S72 PolarHBondContact O-N 3.27Å; S65-S72 PolarHBondContact OG-OG 2.86Å
73L98.2Very high97.7Very high0 Ų041.8 Ų41.80%026%0.26CS..EExtended strand (participates in β ladder)trans-104.3130.6164.8174.366.9000108.2T20 I21 W35 L47 I48 F62 S63 Y86T20-L73 CarbonylContact C-O 3.53Å; T20-L73 VanDerWaalsContact CA-O 3.29Å; T20-L73 WeakPolarHBondContact CA-O 3.01Å; I21-L73 HydrophobicContact CB-CB 4.37Å; I21-L73 HydrophobicContact CD1-CD2 4.31Å; I21-L73 PolarHBondContact N-O 3.49Å; I21-L73 PolarHBondContact O-N 3.18Å; W35-L73 HydrophobicContact CD2-CB 3.69Å; W35-L73 HydrophobicContact CD2-CD2 4.16Å; W35-L73 HydrophobicContact CD2-CG 4.39Å; W35-L73 HydrophobicContact CE3-CB 3.99Å; W35-L73 HydrophobicContact CE3-CD2 3.96Å; W35-L73 HydrophobicContact CG-CB 4.21Å; W35-L73 HydrophobicContact CG-CD1 4.36Å; W35-L73 HydrophobicContact CG-CD2 4.47Å; W35-L73 HydrophobicContact CH2-CB 4Å; W35-L73 HydrophobicContact CZ2-CB 3.72Å; W35-L73 HydrophobicContact CZ3-CB 4.13Å; W35-L73 HydrophobicContact CZ3-CD2 4.45Å; L47-L73 HydrophobicContact CD2-CD1 3.81Å; L47-L73 HydrophobicContact CD2-CD2 3.84Å; L47-L73 HydrophobicContact CD2-CG 4.5Å; I48-L73 HydrophobicContact CD1-CD1 3.46Å; I48-L73 VanDerWaalsContact CD1-CD1 3.46Å; I48-L73 HydrophobicContact CG1-CD1 4.27Å; F62-L73 HydrophobicContact CD1-CD1 4.37Å; S63-L73 CarbonylContact O-C 3.5Å; L73-Y86 HydrophobicContact CD2-CD1 3.43Å; L73-Y86 VanDerWaalsContact CD2-CD1 3.43Å; L73-Y86 HydrophobicContact CD2-CE1 3.92Å; L73-Y86 HydrophobicContact CD2-CG 3.99Å
74T98.2Very high97.6Very high7 Ų740.5 Ų40.54%0.04325%0.253CS..EExtended strand (participates in β ladder)trans-114135.1172.5-64.10000109.9R18 V19 F62 S63R18-T74 HydrophobicContact CG-CG2 4.07Å; V19-T74 CarbonylContact O-C 3.55Å; V19-T74 VanDerWaalsContact O-CA 3.3Å; V19-T74 WeakPolarHBondContact O-CA 3.3Å; F62-T74 CarbonylContact C-O 3.56Å; F62-T74 WeakPolarHBondContact CA-O 3.29Å; S63-T74 PolarHBondContact N-O 2.91Å; S63-T74 PolarHBondContact O-N 2.85Å
75I98.2Very high97.5Very high2 Ų243.6 Ų43.61%0.0127%0.27CS..EExtended strand (participates in β ladder)trans-110.8112.4164.6-46.3178.4000105.9R18 V19 R61 F62 L78 D82 Y86R18-I75 CarbonylContact C-O 3.52Å; R18-I75 VanDerWaalsContact CA-O 3.27Å; R18-I75 WeakPolarHBondContact CA-O 3.41Å; V19-I75 HydrophobicContact CB-CB 4.31Å; V19-I75 PolarHBondContact N-O 3.01Å; V19-I75 PolarHBondContact O-N 3.36Å; R61-I75 HydrophobicContact CG-CG2 4.42Å; R61-I75 CarbonylContact O-C 3.55Å; R61-I75 WeakPolarHBondContact O-CA 3.46Å; F62-I75 HydrophobicContact CD1-CD1 4.39Å; F62-I75 HydrophobicContact CD1-CG1 3.83Å; F62-I75 HydrophobicContact CE1-CD1 3.76Å; F62-I75 HydrophobicContact CE1-CG1 3.7Å; F62-I75 HydrophobicContact CE1-CG2 4.27Å; I75-L78 HydrophobicContact CD1-CD1 4.21Å; I75-L78 HydrophobicContact CG2-CD1 4.38Å; I75-D82 HydrophobicContact CD1-CB 4.38Å; I75-Y86 HydrophobicContact CD1-CE2 4.23Å
76S98.2Very high97.5Very high63 Ų6341.7 Ų41.744%0.44125%0.254SS..SBendtrans-79.9-23.7-17261.30000114.5R61R61-S76 WeakPolarHBondContact CA-OG 3.07Å; R61-S76 PolarHBondContact O-N 2.8Å; R61-S76 PolarHBondContact O-OG 2.9Å
77N98.1Very high97.4Very high73 Ų7344.9 Ų44.939%0.3926%0.255SS..SBendtrans-146.191.9-179.4179.264.4000108G16 R61 E79G16-N77 WeakPolarHBondContact CA-OD1 3.47Å; R61-N77 VanDerWaalsContact CD-O 3.3Å; R61-N77 WeakPolarHBondContact CD-O 3.24Å; N77-E79 PolarHBondContact ND2-OE1 3.02Å; N77-E79 PolarHBondContact O-N 2.85Å
78L98.2Very high97.4Very high19 Ų1941.7 Ų41.710%0.09923%0.233CC..  trans-62.7125.7-174.4-17670.4000112.1A13 L15 G16 D17 V19 I75 D82A13-L78 HydrophobicContact CB-CD2 3.83Å; L15-L78 WeakPolarHBondContact CA-O 3.49Å; G16-L78 PolarHBondContact N-O 3.48Å; D17-L78 WeakPolarHBondContact O-CB 3.26Å; D17-L78 PolarHBondContact O-N 2.01Å; V19-L78 HydrophobicContact CG2-CB 4.42Å; V19-L78 HydrophobicContact CG2-CD1 4.25Å; V19-L78 HydrophobicContact CG2-CD2 4.13Å; I75-L78 HydrophobicContact CD1-CD1 4.21Å; I75-L78 HydrophobicContact CG2-CD1 4.38Å; L78-D82 HydrophobicContact CD1-CB 3.73Å
79E98.2Very high97.4Very high56 Ų5644.2 Ų44.226%0.26224%0.241SC..  trans-114.6160.4177-72.7170-143.700112R61 N77 E81 D82R61-E79 VanDerWaalsContact CZ-CD 3.45Å; R61-E79 IonicContact CZ-OE1 3.74Å; R61-E79 IonicContact CZ-OE2 3.01Å; R61-E79 IonicContact NE-OE1 3.43Å; R61-E79 IonicContact NH1-OE1 2.9Å; R61-E79 PolarHBondContact NH1-OE1 2.85Å; R61-E79 IonicContact NH1-OE2 3.68Å; R61-E79 PolarHBondContact NH1-OE2 2.74Å; R61-E79 IonicContact NH2-OE2 3.89Å; R61-E79 PolarHBondContact NH2-OE2 2.79Å; N77-E79 PolarHBondContact ND2-OE1 3.02Å; N77-E79 PolarHBondContact O-N 2.85Å; E79-E81 VanDerWaalsContact C-N 3.25Å; E79-E81 WeakPolarHBondContact CB-OE2 3.15Å; E79-E81 PolarHBondContact O-N 2.94Å; E79-D82 PolarHBondContact N-OD2 3.5Å; E79-D82 VanDerWaalsContact O-CB 3.29Å; E79-D82 WeakPolarHBondContact O-CB 3.42Å; E79-D82 PolarHBondContact O-N 2.89Å
80P96.7Very high97.3Very high81 Ų8144.2 Ų44.253%0.52624%0.237SC..G310 helixtrans-56.4-34.8-177.1-2736000114.4L15 D82 I83L15-P80 HydrophobicContact CD1-CG 4.06Å; L15-P80 HydrophobicContact CD2-CG 4.02Å; P80-D82 PolarHBondContact O-N 2.66Å; P80-I83 WeakPolarHBondContact O-CB 3.46Å; P80-I83 WeakPolarHBondContact O-CG1 3.48Å; P80-I83 PolarHBondContact O-N 3.16Å
81E96.2Very high97.2Very high84 Ų8443 Ų4339%0.39323%0.227SC..G310 helixtrans-73.5-9.817869-91.8-150.900114.5R61 E79 I83R61-E81 IonicContact CZ-OE1 3.46Å; R61-E81 IonicContact NH1-OE1 3.64Å; R61-E81 IonicContact NH2-OE1 2.71Å; R61-E81 PolarHBondContact NH2-OE1 3.15Å; E79-E81 VanDerWaalsContact C-N 3.25Å; E79-E81 WeakPolarHBondContact CB-OE2 3.15Å; E79-E81 PolarHBondContact O-N 2.94Å; E81-I83 VanDerWaalsContact C-N 3.3Å
82D96.8Very high97.1Very high4 Ų445.1 Ų45.12%0.02124%0.243CC..G310 helixtrans-86.7-6.4177.8-55.8-24.4000111.6R61 F62 I75 L78 E79 P80 A84 Y86R61-D82 IonicContact CZ-OD1 2.8Å; R61-D82 IonicContact CZ-OD2 3.61Å; R61-D82 IonicContact NE-OD1 3.72Å; R61-D82 PolarHBondContact NE-OD1 2.89Å; R61-D82 IonicContact NE-OD2 3.72Å; R61-D82 PolarHBondContact NE-OD2 2.89Å; R61-D82 IonicContact NH2-OD1 3.2Å; R61-D82 PolarHBondContact NH2-OD1 3.03Å; R61-D82 IonicContact NH2-OD2 2.77Å; F62-D82 HydrophobicContact CZ-CB 4.23Å; F62-D82 WeakPolarHBondContact CZ-OD1 3.24Å; I75-D82 HydrophobicContact CD1-CB 4.38Å; L78-D82 HydrophobicContact CD1-CB 3.73Å; E79-D82 PolarHBondContact N-OD2 3.5Å; E79-D82 VanDerWaalsContact O-CB 3.29Å; E79-D82 WeakPolarHBondContact O-CB 3.42Å; E79-D82 PolarHBondContact O-N 2.89Å; P80-D82 PolarHBondContact O-N 2.66Å; D82-A84 PolarHBondContact O-N 2.82Å; D82-Y86 WeakPolarHBondContact O-CE2 3.33Å; D82-Y86 PolarHBondContact O-OH 2.81Å
83I95.4Very high96.7Very high110 Ų11050 Ų5056%0.56426%0.262SS*.  trans-7098.6173.6-57.4173.5000108.4P80 E81P80-I83 WeakPolarHBondContact O-CB 3.46Å; P80-I83 WeakPolarHBondContact O-CG1 3.48Å; P80-I83 PolarHBondContact O-N 3.16Å; E81-I83 VanDerWaalsContact C-N 3.3Å
84A96.6Very high95.9Very high26 Ų2656.1 Ų56.122%0.21529%0.294CS..SBendtrans-158.5168.2-169.700000110.6Q37 Q38 D82 Y86Q37-A84 HydrophobicContact CG-CB 3.45Å; Q37-A84 VanDerWaalsContact CG-CB 3.45Å; Q38-A84 WeakPolarHBondContact O-CA 3.35Å; Q38-A84 VanDerWaalsContact O-CB 3.27Å; Q38-A84 WeakPolarHBondContact O-CB 3.12Å; D82-A84 PolarHBondContact O-N 2.82Å; A84-Y86 HydrophobicContact CB-CE2 3.99Å; A84-Y86 WeakPolarHBondContact O-CD2 3.39Å; A84-Y86 WeakPolarHBondContact O-CE2 3.45Å
85T96.8Very high94.4Very high74 Ų7464.7 Ų64.745%0.45435%0.35SS..EExtended strand (participates in β ladder)trans-90.4136.5165.5-50.20000109.4Q38 Y87Q38-T85 PolarHBondContact N-O 3.39Å; Q38-T85 PolarHBondContact O-N 2.84Å; T85-Y87 HydrophobicContact CG2-CE1 4.03Å; T85-Y87 HydrophobicContact CG2-CE2 3.7Å; T85-Y87 VanDerWaalsContact CG2-CZ 3.42Å; T85-Y87 VanDerWaalsContact CG2-OH 3.31Å; T85-Y87 WeakPolarHBondContact CG2-OH 3.12Å
86Y97.2Very high94.2Very high18 Ų1867.8 Ų67.87%0.07137%0.367CS..EExtended strand (participates in β ladder)trans-115.9137.7-178-65.8-90.9000110.8Q6 I21 Y36 Q37 L47 F62 L73 I75 D82 A84Q6-Y86 PolarHBondContact NE2-O 3.36Å; Q6-Y86 PolarHBondContact OE1-O 3.45Å; I21-Y86 HydrophobicContact CD1-CD2 3.62Å; I21-Y86 HydrophobicContact CD1-CE2 4.4Å; I21-Y86 HydrophobicContact CD1-CG 3.77Å; Y36-Y86 WeakPolarHBondContact O-CA 3.36Å; Q37-Y86 HydrophobicContact CB-CD1 4.23Å; Q37-Y86 HydrophobicContact CB-CE1 3.96Å; Q37-Y86 HydrophobicContact CG-CD1 4.36Å; Q37-Y86 HydrophobicContact CG-CE1 3.77Å; Q37-Y86 PolarHBondContact NE2-OH 3.2Å; L47-Y86 HydrophobicContact CD2-CD1 4.12Å; L47-Y86 HydrophobicContact CD2-CE1 3.89Å; F62-Y86 HydrophobicContact CE1-CE1 4.06Å; L73-Y86 HydrophobicContact CD2-CD1 3.43Å; L73-Y86 VanDerWaalsContact CD2-CD1 3.43Å; L73-Y86 HydrophobicContact CD2-CE1 3.92Å; L73-Y86 HydrophobicContact CD2-CG 3.99Å; I75-Y86 HydrophobicContact CD1-CE2 4.23Å; D82-Y86 WeakPolarHBondContact O-CE2 3.33Å; D82-Y86 PolarHBondContact O-OH 2.81Å; A84-Y86 HydrophobicContact CB-CE2 3.99Å; A84-Y86 WeakPolarHBondContact O-CD2 3.39Å; A84-Y86 WeakPolarHBondContact O-CE2 3.45Å
87Y97Very high94Very high103 Ų10368.1 Ų68.140%0.40436%0.363SS..EExtended strand (participates in β ladder)trans-129129.7-178.5-59.1-78.8000110.7W35 Y36 Q38 T85W35-Y87 CarbonylContact C-O 3.56Å; W35-Y87 WeakPolarHBondContact CA-O 3.34Å; Y36-Y87 PolarHBondContact N-O 2.99Å; Y36-Y87 PolarHBondContact O-N 2.63Å; Q38-Y87 HydrophobicContact CB-CD2 4.38Å; Q38-Y87 HydrophobicContact CB-CE2 3.83Å; Q38-Y87 PolarHBondContact OE1-OH 2.97Å; T85-Y87 HydrophobicContact CG2-CE1 4.03Å; T85-Y87 HydrophobicContact CG2-CE2 3.7Å; T85-Y87 VanDerWaalsContact CG2-CZ 3.42Å; T85-Y87 VanDerWaalsContact CG2-OH 3.31Å; T85-Y87 WeakPolarHBondContact CG2-OH 3.12Å
88C97.1Very high93.8Very high13 Ų1367.8 Ų67.89%0.08836%0.361CS..EExtended strand (participates in β ladder)trans-93.1141.116564.20000110.7Q6 C23 L33 N34 W35Q6-C88 PolarHBondContact OE1-SG 3.05Å; C23-C88 HydrophobicContact CB-CB 3.55Å; C23-C88 WeakPolarHBondContact CB-SG 3.25Å; C23-C88 WeakPolarHBondContact SG-CB 3.48Å; C23-C88 CovalentContact SG-SG 2.01Å; C23-C88 PolarHBondContact SG-SG 3.19Å; L33-C88 HydrophobicContact CD1-CB 4.1Å; L33-C88 HydrophobicContact CD2-CB 4.44Å; L33-C88 HydrophobicContact CG-CB 4.45Å; N34-C88 CarbonylContact O-C 3.54Å; N34-C88 VanDerWaalsContact O-CA 3.31Å; N34-C88 WeakPolarHBondContact O-CA 3.31Å; W35-C88 HydrophobicContact CD2-CB 4.13Å; W35-C88 HydrophobicContact CE3-CB 3.93Å; W35-C88 HydrophobicContact CH2-CB 3.9Å; W35-C88 HydrophobicContact CZ2-CB 4.07Å; W35-C88 HydrophobicContact CZ3-CB 3.82Å
89Q96.6Very high93.6Very high66 Ų6670.6 Ų70.631%0.30838%0.377SS..EExtended strand (participates in β ladder)trans-139.5128.9178173.9-101.7-33.300109.8N34 Y36N34-Q89 PolarHBondContact N-O 2.8Å; N34-Q89 PolarHBondContact O-N 2.87Å; Y36-Q89 HydrophobicContact CD2-CB 4.4Å; Y36-Q89 HydrophobicContact CE2-CB 3.91Å; Y36-Q89 PolarHBondContact OH-OE1 2.8Å; Y36-Q89 VanDerWaalsContact OH-OE1 3.08Å
90Q96.6Very high93.3Very high21 Ų2171.6 Ų71.610%0.09838%0.384CS..EExtended strand (participates in β ladder)trans-84.6147.7172.970.981.720.100111.3I2 M4 I29 Y32 K93I2-Q90 HydrophobicContact CB-CG 3.91Å; I2-Q90 HydrophobicContact CD1-CG 4.45Å; I2-Q90 HydrophobicContact CG2-CG 3.72Å; M4-Q90 HydrophobicContact CE-CB 4.36Å; M4-Q90 HydrophobicContact CG-CB 4.46Å; M4-Q90 HydrophobicContact CG-CG 4.17Å; M4-Q90 HydrophobicContact SD-CB 3.65Å; M4-Q90 HydrophobicContact SD-CG 3.69Å; I29-Q90 HydrophobicContact CD1-CB 3.45Å; I29-Q90 VanDerWaalsContact CD1-CB 3.45Å; I29-Q90 HydrophobicContact CG2-CB 4.27Å; Y32-Q90 CarbonylContact O-C 3.47Å; Y32-Q90 VanDerWaalsContact O-CA 3.24Å; Y32-Q90 WeakPolarHBondContact O-CA 3.42Å; Q90-K93 PolarHBondContact NE2-O 2.66Å; Q90-K93 VanDerWaalsContact OE1-N 3.12Å
91Y95.5Very high93Very high54 Ų5470.9 Ų70.921%0.21237%0.374CS..  trans-131.821.4170.860.7-84.2000113.1Y32 N34 Y50 K93Y32-Y91 VanDerWaalsContact CA-CE1 3.49Å; Y32-Y91 VanDerWaalsContact CA-CZ 3.49Å; Y32-Y91 AromaticContact CD1-CD2 3.94Å; Y32-Y91 HydrophobicContact CD1-CD2 3.94Å; Y32-Y91 AromaticContact CD1-CE2 3.33Å; Y32-Y91 HydrophobicContact CD1-CE2 3.33Å; Y32-Y91 AromaticContact CD1-CZ 3.78Å; Y32-Y91 HydrophobicContact CE1-CE2 4.23Å; Y32-Y91 HydrophobicContact CG-CD2 4.31Å; Y32-Y91 HydrophobicContact CG-CE2 4.03Å; Y32-Y91 VanDerWaalsContact O-CD1 3.32Å; Y32-Y91 WeakPolarHBondContact O-CD1 3.36Å; Y32-Y91 PolarHBondContact O-N 3.45Å; N34-Y91 VanDerWaalsContact OD1-CE1 3.29Å; N34-Y91 WeakPolarHBondContact OD1-CE1 3.37Å; Y50-Y91 WeakPolarHBondContact CD1-OH 3.42Å; Y50-Y91 HydrophobicContact CE1-CE2 4.08Å; Y50-Y91 AromaticContact CE1-CZ 3.97Å; Y50-Y91 WeakPolarHBondContact CE1-OH 3.3Å; Y91-K93 VanDerWaalsContact C-N 3.31Å
92S95Very high92.8Very high53 Ų5370 Ų7037%0.37137%0.373SS..SBendtrans-64.7-38173.9-179.50000111.6
93K89.6Confident92.5Very high122 Ų12275.1 Ų75.153%0.5340%0.4SS..SBendtrans-136.7122.6179-167.6173.9-178.5171.60109.7I2 Q90 Y91I2-K93 HydrophobicContact CD1-CB 3.61Å; I2-K93 HydrophobicContact CG1-CB 4.34Å; Q90-K93 PolarHBondContact NE2-O 2.66Å; Q90-K93 VanDerWaalsContact OE1-N 3.12Å; Y91-K93 VanDerWaalsContact C-N 3.31Å
94L80.9Confident92.3Very high130 Ų13072.2 Ų72.268%0.68139%0.387SS*.  trans-88.3149.1170.4-59.2177.2000109
95P68.4Low91.9Very high186 Ų18676.4 Ų76.4100%1.20840%0.402SS*.  trans-52.30171.4-24.733.9000113.4

Retrieved 95 of 95 residues in 94.2 ms (Link to these results)

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